Iron in PDB 8pp3: Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition)
Enzymatic activity of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition)
All present enzymatic activity of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition):
1.16.3.1;
Protein crystallography data
The structure of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition), PDB code: 8pp3
was solved by
L.Lang,
T.Beck,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
59.77 /
1.55
|
|
Space group
|
P 4
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
127.007,
127.007,
175.193,
90,
90,
90
|
|
R / Rfree (%)
|
21.9 /
24.1
|
Other elements in 8pp3:
The structure of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition) also contains other interesting chemical elements:
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
12;
Binding sites:
The binding sites of Iron atom in the Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition)
(pdb code 8pp3). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 12 binding sites of Iron where determined in the
Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition), PDB code: 8pp3:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 12 in 8pp3
Go back to
Iron Binding Sites List in 8pp3
Iron binding site 1 out
of 12 in the Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe201
b:25.3
occ:1.00
|
HD1
|
A:HIS65
|
1.5
|
20.8
|
0.0
|
|
OE1
|
A:GLU27
|
2.0
|
22.3
|
1.0
|
|
OE1
|
A:GLU62
|
2.1
|
23.6
|
1.0
|
|
O
|
A:HOH311
|
2.1
|
28.0
|
1.0
|
|
ND1
|
A:HIS65
|
2.2
|
20.6
|
1.0
|
|
O
|
A:HOH332
|
2.2
|
20.3
|
1.0
|
|
CD
|
A:GLU62
|
3.0
|
25.6
|
1.0
|
|
CD
|
A:GLU27
|
3.1
|
21.4
|
1.0
|
|
CE1
|
A:HIS65
|
3.1
|
23.6
|
1.0
|
|
HE1
|
A:HIS65
|
3.2
|
22.7
|
1.0
|
|
CG
|
A:HIS65
|
3.2
|
22.4
|
1.0
|
|
HG12
|
A:VAL110
|
3.3
|
22.8
|
1.0
|
|
OE2
|
A:GLU62
|
3.3
|
28.4
|
1.0
|
|
HB2
|
A:HIS65
|
3.4
|
20.7
|
1.0
|
|
HB3
|
A:HIS65
|
3.4
|
20.7
|
1.0
|
|
OE2
|
A:GLU27
|
3.4
|
22.6
|
1.0
|
|
CB
|
A:HIS65
|
3.6
|
20.6
|
1.0
|
|
HA
|
A:GLU62
|
3.6
|
20.1
|
1.0
|
|
OE1
|
A:GLN141
|
3.9
|
32.7
|
1.0
|
|
CG1
|
A:VAL110
|
4.1
|
22.3
|
1.0
|
|
HG11
|
A:VAL110
|
4.2
|
22.8
|
1.0
|
|
HA
|
A:GLU27
|
4.2
|
20.7
|
1.0
|
|
NE2
|
A:HIS65
|
4.2
|
23.1
|
1.0
|
|
HB3
|
A:GLU27
|
4.3
|
21.4
|
1.0
|
|
CD2
|
A:HIS65
|
4.3
|
23.7
|
1.0
|
|
CG
|
A:GLU62
|
4.4
|
21.9
|
1.0
|
|
CG
|
A:GLU27
|
4.4
|
22.4
|
1.0
|
|
HB3
|
A:GLU62
|
4.5
|
20.9
|
1.0
|
|
CA
|
A:GLU62
|
4.5
|
20.1
|
1.0
|
|
HD2
|
A:TYR137
|
4.5
|
18.7
|
1.0
|
|
HE2
|
A:TYR137
|
4.6
|
19.5
|
1.0
|
|
HG22
|
A:VAL110
|
4.6
|
22.7
|
1.0
|
|
HG13
|
A:VAL110
|
4.6
|
22.8
|
1.0
|
|
HB3
|
A:ALA30
|
4.7
|
18.5
|
1.0
|
|
CB
|
A:GLU62
|
4.7
|
20.8
|
1.0
|
|
CB
|
A:GLU27
|
4.7
|
21.2
|
1.0
|
|
HG3
|
A:GLU27
|
4.8
|
21.9
|
1.0
|
|
HG2
|
A:GLU62
|
4.9
|
22.5
|
1.0
|
|
CD
|
A:GLN141
|
4.9
|
28.2
|
1.0
|
|
HG3
|
A:GLU62
|
4.9
|
22.5
|
1.0
|
|
CA
|
A:GLU27
|
5.0
|
20.9
|
1.0
|
|
HD12
|
A:LEU114
|
5.0
|
18.9
|
1.0
|
|
Iron binding site 2 out
of 12 in 8pp3
Go back to
Iron Binding Sites List in 8pp3
Iron binding site 2 out
of 12 in the Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe202
b:24.4
occ:1.00
|
HD1
|
B:HIS65
|
1.3
|
24.6
|
0.0
|
|
OE1
|
B:GLU27
|
2.0
|
24.8
|
1.0
|
|
O
|
B:HOH327
|
2.0
|
27.5
|
1.0
|
|
OE1
|
B:GLU62
|
2.0
|
24.8
|
1.0
|
|
ND1
|
B:HIS65
|
2.1
|
24.7
|
1.0
|
|
O
|
B:HOH312
|
2.1
|
20.4
|
1.0
|
|
CD
|
B:GLU27
|
3.0
|
24.3
|
1.0
|
|
CE1
|
B:HIS65
|
3.0
|
26.8
|
1.0
|
|
CD
|
B:GLU62
|
3.0
|
25.5
|
1.0
|
|
HE1
|
B:HIS65
|
3.2
|
26.3
|
1.0
|
|
CG
|
B:HIS65
|
3.2
|
24.6
|
1.0
|
|
HG12
|
B:VAL110
|
3.2
|
21.5
|
1.0
|
|
HB2
|
B:HIS65
|
3.3
|
21.4
|
1.0
|
|
HB3
|
B:HIS65
|
3.4
|
21.4
|
1.0
|
|
OE2
|
B:GLU27
|
3.4
|
23.8
|
1.0
|
|
OE2
|
B:GLU62
|
3.4
|
29.1
|
1.0
|
|
CB
|
B:HIS65
|
3.5
|
20.5
|
1.0
|
|
HA
|
B:GLU62
|
3.6
|
19.5
|
1.0
|
|
OE1
|
B:GLN141
|
4.1
|
31.1
|
1.0
|
|
CG1
|
B:VAL110
|
4.1
|
21.2
|
1.0
|
|
HA
|
B:GLU27
|
4.2
|
19.0
|
1.0
|
|
NE2
|
B:HIS65
|
4.2
|
27.5
|
1.0
|
|
HG11
|
B:VAL110
|
4.3
|
21.5
|
1.0
|
|
CD2
|
B:HIS65
|
4.3
|
24.7
|
1.0
|
|
HB3
|
B:GLU27
|
4.3
|
20.3
|
1.0
|
|
CG
|
B:GLU27
|
4.3
|
22.3
|
1.0
|
|
CG
|
B:GLU62
|
4.4
|
22.7
|
1.0
|
|
CA
|
B:GLU62
|
4.5
|
19.5
|
1.0
|
|
HB3
|
B:GLU62
|
4.5
|
21.3
|
1.0
|
|
HG22
|
B:VAL110
|
4.6
|
22.5
|
1.0
|
|
HE2
|
B:TYR137
|
4.6
|
19.4
|
1.0
|
|
HD2
|
B:TYR137
|
4.6
|
19.7
|
1.0
|
|
HG13
|
B:VAL110
|
4.6
|
21.5
|
1.0
|
|
HB3
|
B:ALA30
|
4.7
|
18.9
|
1.0
|
|
CB
|
B:GLU27
|
4.7
|
19.8
|
1.0
|
|
CB
|
B:GLU62
|
4.7
|
21.6
|
1.0
|
|
HG3
|
B:GLU27
|
4.7
|
22.1
|
1.0
|
|
CD
|
B:GLN141
|
4.9
|
26.7
|
1.0
|
|
HG3
|
B:GLU62
|
4.9
|
23.1
|
1.0
|
|
CA
|
B:GLU27
|
4.9
|
19.3
|
1.0
|
|
HG2
|
B:GLU62
|
4.9
|
23.0
|
1.0
|
|
HG2
|
B:GLU27
|
5.0
|
22.1
|
1.0
|
|
HE21
|
B:GLN141
|
5.0
|
27.2
|
1.0
|
|
O
|
B:GLU62
|
5.0
|
18.6
|
1.0
|
|
Iron binding site 3 out
of 12 in 8pp3
Go back to
Iron Binding Sites List in 8pp3
Iron binding site 3 out
of 12 in the Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe201
b:23.2
occ:1.00
|
HD1
|
C:HIS65
|
1.4
|
20.2
|
0.0
|
|
ND1
|
C:HIS65
|
2.0
|
19.9
|
1.0
|
|
OE1
|
C:GLU27
|
2.0
|
21.4
|
1.0
|
|
O
|
C:HOH306
|
2.1
|
22.4
|
1.0
|
|
OE1
|
C:GLU62
|
2.1
|
23.7
|
1.0
|
|
O
|
C:HOH305
|
2.3
|
20.8
|
1.0
|
|
CE1
|
C:HIS65
|
2.9
|
24.8
|
1.0
|
|
CD
|
C:GLU62
|
3.0
|
24.8
|
1.0
|
|
HE1
|
C:HIS65
|
3.0
|
23.4
|
1.0
|
|
CD
|
C:GLU27
|
3.1
|
20.1
|
1.0
|
|
CG
|
C:HIS65
|
3.1
|
22.6
|
1.0
|
|
HG12
|
C:VAL110
|
3.3
|
20.9
|
1.0
|
|
OE2
|
C:GLU62
|
3.3
|
30.8
|
1.0
|
|
HB2
|
C:HIS65
|
3.4
|
18.6
|
1.0
|
|
HB3
|
C:HIS65
|
3.4
|
18.7
|
1.0
|
|
OE2
|
C:GLU27
|
3.4
|
22.9
|
1.0
|
|
HA
|
C:GLU62
|
3.5
|
19.1
|
1.0
|
|
CB
|
C:HIS65
|
3.5
|
17.6
|
1.0
|
|
OE1
|
C:GLN141
|
3.9
|
28.6
|
1.0
|
|
NE2
|
C:HIS65
|
4.1
|
24.5
|
1.0
|
|
O
|
C:HOH383
|
4.1
|
29.9
|
1.0
|
|
CG1
|
C:VAL110
|
4.2
|
21.1
|
1.0
|
|
CD2
|
C:HIS65
|
4.2
|
23.1
|
1.0
|
|
HA
|
C:GLU27
|
4.2
|
18.4
|
1.0
|
|
HG11
|
C:VAL110
|
4.2
|
20.9
|
1.0
|
|
HB3
|
C:GLU27
|
4.3
|
17.9
|
1.0
|
|
CG
|
C:GLU62
|
4.3
|
20.9
|
1.0
|
|
CG
|
C:GLU27
|
4.4
|
18.8
|
1.0
|
|
HB3
|
C:GLU62
|
4.4
|
19.6
|
1.0
|
|
CA
|
C:GLU62
|
4.4
|
18.9
|
1.0
|
|
HD2
|
C:TYR137
|
4.6
|
19.9
|
1.0
|
|
CB
|
C:GLU62
|
4.6
|
19.3
|
1.0
|
|
HE2
|
C:TYR137
|
4.6
|
19.9
|
1.0
|
|
HG13
|
C:VAL110
|
4.6
|
20.9
|
1.0
|
|
HG22
|
C:VAL110
|
4.7
|
20.2
|
1.0
|
|
CB
|
C:GLU27
|
4.7
|
17.0
|
1.0
|
|
HB3
|
C:ALA30
|
4.7
|
17.7
|
1.0
|
|
HG3
|
C:GLU27
|
4.8
|
18.7
|
1.0
|
|
HG3
|
C:GLU62
|
4.9
|
21.4
|
1.0
|
|
CD
|
C:GLN141
|
4.9
|
24.2
|
1.0
|
|
HG2
|
C:GLU62
|
4.9
|
21.4
|
1.0
|
|
HE2
|
C:HIS65
|
4.9
|
25.2
|
0.0
|
|
CA
|
C:GLU27
|
5.0
|
19.0
|
1.0
|
|
O
|
C:GLU62
|
5.0
|
17.0
|
1.0
|
|
Iron binding site 4 out
of 12 in 8pp3
Go back to
Iron Binding Sites List in 8pp3
Iron binding site 4 out
of 12 in the Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe202
b:25.0
occ:1.00
|
HD1
|
D:HIS65
|
1.4
|
22.5
|
0.0
|
|
OE1
|
D:GLU62
|
2.1
|
22.1
|
1.0
|
|
OE1
|
D:GLU27
|
2.1
|
21.1
|
1.0
|
|
ND1
|
D:HIS65
|
2.1
|
22.7
|
1.0
|
|
O
|
D:HOH329
|
2.1
|
26.8
|
1.0
|
|
O
|
D:HOH305
|
2.2
|
20.0
|
1.0
|
|
CD
|
D:GLU62
|
3.0
|
26.1
|
1.0
|
|
CE1
|
D:HIS65
|
3.0
|
29.1
|
1.0
|
|
CD
|
D:GLU27
|
3.0
|
19.8
|
1.0
|
|
CG
|
D:HIS65
|
3.1
|
23.7
|
1.0
|
|
HE1
|
D:HIS65
|
3.2
|
26.4
|
1.0
|
|
HG12
|
D:VAL110
|
3.3
|
20.7
|
1.0
|
|
HB3
|
D:HIS65
|
3.3
|
20.6
|
1.0
|
|
OE2
|
D:GLU62
|
3.3
|
30.4
|
1.0
|
|
HB2
|
D:HIS65
|
3.3
|
20.6
|
1.0
|
|
OE2
|
D:GLU27
|
3.4
|
22.6
|
1.0
|
|
CB
|
D:HIS65
|
3.5
|
20.2
|
1.0
|
|
HA
|
D:GLU62
|
3.7
|
19.7
|
1.0
|
|
OE1
|
D:GLN141
|
3.9
|
28.9
|
1.0
|
|
CG1
|
D:VAL110
|
4.2
|
20.5
|
1.0
|
|
NE2
|
D:HIS65
|
4.2
|
25.3
|
1.0
|
|
HG11
|
D:VAL110
|
4.2
|
20.7
|
1.0
|
|
HA
|
D:GLU27
|
4.2
|
19.2
|
1.0
|
|
CD2
|
D:HIS65
|
4.2
|
24.4
|
1.0
|
|
HB3
|
D:GLU27
|
4.3
|
19.4
|
1.0
|
|
CG
|
D:GLU27
|
4.3
|
19.9
|
1.0
|
|
CG
|
D:GLU62
|
4.3
|
21.0
|
1.0
|
|
HB3
|
D:GLU62
|
4.4
|
20.2
|
1.0
|
|
HE2
|
D:TYR137
|
4.5
|
18.8
|
1.0
|
|
HD2
|
D:TYR137
|
4.5
|
19.1
|
1.0
|
|
CA
|
D:GLU62
|
4.5
|
19.3
|
1.0
|
|
HG22
|
D:VAL110
|
4.6
|
20.4
|
1.0
|
|
HB3
|
D:ALA30
|
4.6
|
17.4
|
1.0
|
|
HG13
|
D:VAL110
|
4.6
|
20.7
|
1.0
|
|
CB
|
D:GLU62
|
4.7
|
20.3
|
1.0
|
|
CB
|
D:GLU27
|
4.7
|
19.1
|
1.0
|
|
HG3
|
D:GLU27
|
4.7
|
19.7
|
1.0
|
|
HG2
|
D:GLU62
|
4.9
|
21.9
|
1.0
|
|
CD
|
D:GLN141
|
4.9
|
24.9
|
1.0
|
|
HG3
|
D:GLU62
|
4.9
|
21.9
|
1.0
|
|
CA
|
D:GLU27
|
5.0
|
19.2
|
1.0
|
|
HD12
|
D:LEU114
|
5.0
|
20.6
|
1.0
|
|
Iron binding site 5 out
of 12 in 8pp3
Go back to
Iron Binding Sites List in 8pp3
Iron binding site 5 out
of 12 in the Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe201
b:22.4
occ:1.00
|
HD1
|
E:HIS65
|
1.5
|
20.4
|
0.0
|
|
OE1
|
E:GLU27
|
2.0
|
23.1
|
1.0
|
|
OE1
|
E:GLU62
|
2.0
|
24.0
|
1.0
|
|
O
|
E:HOH338
|
2.0
|
25.1
|
1.0
|
|
ND1
|
E:HIS65
|
2.1
|
20.9
|
1.0
|
|
O
|
E:HOH318
|
2.2
|
18.3
|
1.0
|
|
CD
|
E:GLU62
|
3.0
|
26.5
|
1.0
|
|
CD
|
E:GLU27
|
3.0
|
21.4
|
1.0
|
|
CE1
|
E:HIS65
|
3.1
|
25.4
|
1.0
|
|
HE1
|
E:HIS65
|
3.2
|
23.4
|
1.0
|
|
CG
|
E:HIS65
|
3.2
|
20.1
|
1.0
|
|
HG12
|
E:VAL110
|
3.2
|
22.1
|
1.0
|
|
HB2
|
E:HIS65
|
3.3
|
19.2
|
1.0
|
|
OE2
|
E:GLU62
|
3.4
|
30.6
|
1.0
|
|
HB3
|
E:HIS65
|
3.4
|
19.2
|
1.0
|
|
OE2
|
E:GLU27
|
3.4
|
20.8
|
1.0
|
|
CB
|
E:HIS65
|
3.5
|
18.6
|
1.0
|
|
HA
|
E:GLU62
|
3.6
|
19.9
|
1.0
|
|
CG1
|
E:VAL110
|
4.1
|
22.0
|
1.0
|
|
OE1
|
E:GLN141
|
4.1
|
25.5
|
1.0
|
|
HA
|
E:GLU27
|
4.2
|
19.0
|
1.0
|
|
NE2
|
E:HIS65
|
4.2
|
22.1
|
1.0
|
|
HG11
|
E:VAL110
|
4.2
|
22.1
|
1.0
|
|
CD2
|
E:HIS65
|
4.3
|
21.6
|
1.0
|
|
CG
|
E:GLU62
|
4.3
|
21.3
|
1.0
|
|
HB3
|
E:GLU27
|
4.3
|
19.4
|
1.0
|
|
CG
|
E:GLU27
|
4.3
|
20.4
|
1.0
|
|
HB3
|
E:GLU62
|
4.4
|
20.7
|
1.0
|
|
CA
|
E:GLU62
|
4.4
|
19.6
|
1.0
|
|
HG22
|
E:VAL110
|
4.5
|
21.8
|
1.0
|
|
HG13
|
E:VAL110
|
4.5
|
22.1
|
1.0
|
|
HE2
|
E:TYR137
|
4.6
|
18.6
|
1.0
|
|
CB
|
E:GLU62
|
4.6
|
21.0
|
1.0
|
|
HD2
|
E:TYR137
|
4.6
|
18.8
|
1.0
|
|
HB3
|
E:ALA30
|
4.7
|
18.2
|
1.0
|
|
CB
|
E:GLU27
|
4.7
|
18.9
|
1.0
|
|
HG3
|
E:GLU27
|
4.8
|
20.3
|
1.0
|
|
HG2
|
E:GLU62
|
4.8
|
22.3
|
1.0
|
|
HG3
|
E:GLU62
|
4.9
|
22.3
|
1.0
|
|
CD
|
E:GLN141
|
4.9
|
23.9
|
1.0
|
|
CA
|
E:GLU27
|
4.9
|
19.2
|
1.0
|
|
HE21
|
E:GLN141
|
5.0
|
25.0
|
1.0
|
|
HD12
|
E:LEU114
|
5.0
|
18.5
|
1.0
|
|
HG2
|
E:GLU27
|
5.0
|
20.3
|
1.0
|
|
Iron binding site 6 out
of 12 in 8pp3
Go back to
Iron Binding Sites List in 8pp3
Iron binding site 6 out
of 12 in the Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe203
b:24.3
occ:1.00
|
HD1
|
F:HIS65
|
1.4
|
22.4
|
0.0
|
|
OE1
|
F:GLU27
|
1.9
|
19.7
|
1.0
|
|
OE1
|
F:GLU62
|
2.0
|
24.6
|
1.0
|
|
O
|
F:HOH306
|
2.1
|
24.1
|
1.0
|
|
ND1
|
F:HIS65
|
2.2
|
21.8
|
1.0
|
|
O
|
F:HOH315
|
2.3
|
20.4
|
1.0
|
|
CD
|
F:GLU62
|
2.9
|
23.7
|
1.0
|
|
CD
|
F:GLU27
|
3.0
|
22.8
|
1.0
|
|
CE1
|
F:HIS65
|
3.1
|
25.7
|
1.0
|
|
OE2
|
F:GLU62
|
3.2
|
30.0
|
1.0
|
|
HE1
|
F:HIS65
|
3.2
|
24.7
|
1.0
|
|
CG
|
F:HIS65
|
3.2
|
22.9
|
1.0
|
|
HG12
|
F:VAL110
|
3.3
|
21.1
|
1.0
|
|
HB2
|
F:HIS65
|
3.3
|
20.5
|
1.0
|
|
HB3
|
F:HIS65
|
3.4
|
20.5
|
1.0
|
|
OE2
|
F:GLU27
|
3.4
|
22.1
|
1.0
|
|
CB
|
F:HIS65
|
3.5
|
19.8
|
1.0
|
|
HA
|
F:GLU62
|
3.6
|
18.4
|
1.0
|
|
OE1
|
F:GLN141
|
3.9
|
32.0
|
1.0
|
|
CG1
|
F:VAL110
|
4.2
|
21.2
|
1.0
|
|
HA
|
F:GLU27
|
4.2
|
19.8
|
1.0
|
|
CG
|
F:GLU62
|
4.2
|
21.9
|
1.0
|
|
HG11
|
F:VAL110
|
4.3
|
21.1
|
1.0
|
|
NE2
|
F:HIS65
|
4.3
|
26.0
|
1.0
|
|
CG
|
F:GLU27
|
4.3
|
20.6
|
1.0
|
|
CD2
|
F:HIS65
|
4.3
|
23.3
|
1.0
|
|
HB3
|
F:GLU27
|
4.3
|
20.4
|
1.0
|
|
CA
|
F:GLU62
|
4.4
|
18.3
|
1.0
|
|
HB3
|
F:GLU62
|
4.4
|
19.7
|
1.0
|
|
HG22
|
F:VAL110
|
4.6
|
20.4
|
1.0
|
|
HD2
|
F:TYR137
|
4.6
|
21.2
|
1.0
|
|
CB
|
F:GLU62
|
4.6
|
19.4
|
1.0
|
|
HE2
|
F:TYR137
|
4.6
|
21.2
|
1.0
|
|
HG13
|
F:VAL110
|
4.6
|
21.1
|
1.0
|
|
HB3
|
F:ALA30
|
4.6
|
16.9
|
1.0
|
|
HG3
|
F:GLU27
|
4.7
|
21.1
|
1.0
|
|
HG3
|
F:GLU62
|
4.7
|
21.7
|
1.0
|
|
CB
|
F:GLU27
|
4.7
|
20.7
|
1.0
|
|
HG2
|
F:GLU62
|
4.8
|
21.7
|
1.0
|
|
CD
|
F:GLN141
|
4.9
|
25.3
|
1.0
|
|
CA
|
F:GLU27
|
5.0
|
19.6
|
1.0
|
|
HG2
|
F:GLU27
|
5.0
|
21.1
|
1.0
|
|
Iron binding site 7 out
of 12 in 8pp3
Go back to
Iron Binding Sites List in 8pp3
Iron binding site 7 out
of 12 in the Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe201
b:33.4
occ:1.00
|
HD1
|
G:HIS65
|
1.4
|
28.9
|
0.0
|
|
OE1
|
G:GLU27
|
2.0
|
29.1
|
1.0
|
|
OE1
|
G:GLU62
|
2.1
|
27.6
|
1.0
|
|
O
|
G:HOH312
|
2.1
|
36.2
|
1.0
|
|
ND1
|
G:HIS65
|
2.2
|
29.7
|
1.0
|
|
O
|
G:HOH307
|
2.3
|
27.5
|
1.0
|
|
CD
|
G:GLU27
|
2.9
|
29.0
|
1.0
|
|
CD
|
G:GLU62
|
2.9
|
28.7
|
1.0
|
|
CE1
|
G:HIS65
|
3.1
|
35.0
|
1.0
|
|
OE2
|
G:GLU62
|
3.2
|
33.4
|
1.0
|
|
CG
|
G:HIS65
|
3.2
|
29.2
|
1.0
|
|
OE2
|
G:GLU27
|
3.2
|
30.4
|
1.0
|
|
HE1
|
G:HIS65
|
3.3
|
31.6
|
1.0
|
|
HB3
|
G:HIS65
|
3.3
|
26.9
|
1.0
|
|
HB2
|
G:HIS65
|
3.3
|
26.9
|
1.0
|
|
HG12
|
G:VAL110
|
3.4
|
29.5
|
1.0
|
|
CB
|
G:HIS65
|
3.5
|
26.5
|
1.0
|
|
HA
|
G:GLU62
|
3.7
|
25.5
|
1.0
|
|
OE1
|
G:GLN141
|
3.8
|
35.3
|
1.0
|
|
HA
|
G:GLU27
|
4.2
|
27.4
|
1.0
|
|
CG1
|
G:VAL110
|
4.3
|
29.9
|
1.0
|
|
NE2
|
G:HIS65
|
4.3
|
27.2
|
1.0
|
|
CG
|
G:GLU27
|
4.3
|
27.7
|
1.0
|
|
CD2
|
G:HIS65
|
4.3
|
30.6
|
1.0
|
|
CG
|
G:GLU62
|
4.3
|
27.5
|
1.0
|
|
HG11
|
G:VAL110
|
4.4
|
29.5
|
1.0
|
|
HB3
|
G:GLU27
|
4.4
|
27.3
|
1.0
|
|
HD2
|
G:TYR137
|
4.5
|
28.2
|
1.0
|
|
HB3
|
G:GLU62
|
4.5
|
25.7
|
1.0
|
|
HE2
|
G:TYR137
|
4.5
|
29.3
|
1.0
|
|
CA
|
G:GLU62
|
4.6
|
25.2
|
1.0
|
|
HG3
|
G:GLU27
|
4.7
|
27.9
|
1.0
|
|
HG13
|
G:VAL110
|
4.7
|
29.5
|
1.0
|
|
CB
|
G:GLU62
|
4.7
|
25.2
|
1.0
|
|
HB3
|
G:ALA30
|
4.7
|
26.6
|
1.0
|
|
CB
|
G:GLU27
|
4.8
|
27.2
|
1.0
|
|
HG22
|
G:VAL110
|
4.8
|
27.9
|
1.0
|
|
HG3
|
G:GLU62
|
4.8
|
27.2
|
1.0
|
|
CD
|
G:GLN141
|
4.8
|
29.8
|
1.0
|
|
HD12
|
G:LEU114
|
4.9
|
28.3
|
1.0
|
|
HG2
|
G:GLU62
|
4.9
|
27.2
|
1.0
|
|
HG2
|
G:GLU27
|
5.0
|
27.9
|
1.0
|
|
CA
|
G:GLU27
|
5.0
|
27.2
|
1.0
|
|
Iron binding site 8 out
of 12 in 8pp3
Go back to
Iron Binding Sites List in 8pp3
Iron binding site 8 out
of 12 in the Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe201
b:30.5
occ:1.00
|
HD1
|
H:HIS65
|
1.3
|
23.6
|
0.0
|
|
OE2
|
H:GLU62
|
2.0
|
30.8
|
1.0
|
|
OE1
|
H:GLU27
|
2.0
|
23.2
|
1.0
|
|
ND1
|
H:HIS65
|
2.0
|
23.6
|
1.0
|
|
O
|
H:HOH307
|
2.1
|
23.8
|
1.0
|
|
O
|
H:HOH301
|
2.5
|
39.6
|
1.0
|
|
CE1
|
H:HIS65
|
3.0
|
27.1
|
1.0
|
|
CD
|
H:GLU62
|
3.0
|
28.9
|
1.0
|
|
CD
|
H:GLU27
|
3.0
|
25.3
|
1.0
|
|
CG
|
H:HIS65
|
3.1
|
25.2
|
1.0
|
|
HE1
|
H:HIS65
|
3.1
|
26.1
|
1.0
|
|
HB2
|
H:HIS65
|
3.2
|
23.4
|
1.0
|
|
HB3
|
H:HIS65
|
3.2
|
23.4
|
1.0
|
|
OE1
|
H:GLU62
|
3.4
|
32.3
|
1.0
|
|
CB
|
H:HIS65
|
3.4
|
22.7
|
1.0
|
|
OE2
|
H:GLU27
|
3.4
|
24.8
|
1.0
|
|
HG12
|
H:VAL110
|
3.5
|
27.8
|
1.0
|
|
HA
|
H:GLU62
|
3.7
|
24.1
|
1.0
|
|
OE1
|
H:GLN141
|
3.8
|
32.2
|
1.0
|
|
NE2
|
H:HIS65
|
4.1
|
26.9
|
1.0
|
|
CD2
|
H:HIS65
|
4.2
|
25.1
|
1.0
|
|
HA
|
H:GLU27
|
4.2
|
22.8
|
1.0
|
|
HB3
|
H:GLU27
|
4.3
|
22.4
|
1.0
|
|
CG
|
H:GLU62
|
4.4
|
25.3
|
1.0
|
|
CG1
|
H:VAL110
|
4.4
|
28.0
|
1.0
|
|
CG
|
H:GLU27
|
4.4
|
23.4
|
1.0
|
|
HG11
|
H:VAL110
|
4.4
|
27.8
|
1.0
|
|
HD2
|
H:TYR137
|
4.5
|
23.6
|
1.0
|
|
HB3
|
H:GLU62
|
4.5
|
24.9
|
1.0
|
|
HE2
|
H:TYR137
|
4.5
|
23.3
|
1.0
|
|
CA
|
H:GLU62
|
4.6
|
24.0
|
1.0
|
|
HB3
|
H:ALA30
|
4.7
|
23.8
|
1.0
|
|
CB
|
H:GLU62
|
4.7
|
25.1
|
1.0
|
|
CB
|
H:GLU27
|
4.7
|
21.8
|
1.0
|
|
HG3
|
H:GLU27
|
4.8
|
23.4
|
1.0
|
|
HG3
|
H:GLU62
|
4.8
|
26.1
|
1.0
|
|
HG13
|
H:VAL110
|
4.8
|
27.8
|
1.0
|
|
HG22
|
H:VAL110
|
4.9
|
27.9
|
1.0
|
|
OE1
|
H:GLU107
|
4.9
|
35.9
|
1.0
|
|
CD
|
H:GLN141
|
4.9
|
30.7
|
1.0
|
|
CA
|
H:GLU27
|
4.9
|
22.6
|
1.0
|
|
CA
|
H:HIS65
|
4.9
|
23.4
|
1.0
|
|
HG2
|
H:GLU62
|
5.0
|
26.1
|
1.0
|
|
Iron binding site 9 out
of 12 in 8pp3
Go back to
Iron Binding Sites List in 8pp3
Iron binding site 9 out
of 12 in the Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe201
b:29.9
occ:1.00
|
HD1
|
I:HIS65
|
1.2
|
28.1
|
0.0
|
|
OE1
|
I:GLU27
|
1.9
|
24.6
|
1.0
|
|
ND1
|
I:HIS65
|
2.1
|
27.6
|
1.0
|
|
OE1
|
I:GLU62
|
2.1
|
30.5
|
1.0
|
|
CE1
|
I:HIS65
|
2.9
|
31.4
|
1.0
|
|
CD
|
I:GLU62
|
3.0
|
27.4
|
1.0
|
|
CD
|
I:GLU27
|
3.0
|
27.8
|
1.0
|
|
HE1
|
I:HIS65
|
3.1
|
29.6
|
1.0
|
|
CG
|
I:HIS65
|
3.1
|
27.0
|
1.0
|
|
OE2
|
I:GLU62
|
3.2
|
31.1
|
1.0
|
|
HB3
|
I:HIS65
|
3.3
|
27.2
|
1.0
|
|
HB2
|
I:HIS65
|
3.4
|
27.2
|
1.0
|
|
OE2
|
I:GLU27
|
3.4
|
27.2
|
1.0
|
|
HG12
|
I:VAL110
|
3.4
|
25.7
|
1.0
|
|
CB
|
I:HIS65
|
3.5
|
27.8
|
1.0
|
|
HA
|
I:GLU62
|
3.6
|
24.1
|
1.0
|
|
OE1
|
I:GLN141
|
3.8
|
33.4
|
1.0
|
|
NE2
|
I:HIS65
|
4.1
|
28.2
|
1.0
|
|
HA
|
I:GLU27
|
4.2
|
26.1
|
1.0
|
|
CD2
|
I:HIS65
|
4.2
|
27.8
|
1.0
|
|
CG1
|
I:VAL110
|
4.3
|
25.3
|
1.0
|
|
CG
|
I:GLU62
|
4.3
|
27.4
|
1.0
|
|
CG
|
I:GLU27
|
4.3
|
27.9
|
1.0
|
|
HG11
|
I:VAL110
|
4.4
|
25.7
|
1.0
|
|
HE1
|
I:TYR137
|
4.5
|
24.8
|
1.0
|
|
HB3
|
I:GLU27
|
4.5
|
26.3
|
1.0
|
|
HB3
|
I:GLU62
|
4.5
|
24.9
|
1.0
|
|
CA
|
I:GLU62
|
4.5
|
23.6
|
1.0
|
|
HB3
|
I:ALA30
|
4.5
|
25.0
|
1.0
|
|
HD1
|
I:TYR137
|
4.6
|
24.9
|
1.0
|
|
CB
|
I:GLU62
|
4.7
|
24.5
|
1.0
|
|
HG13
|
I:VAL110
|
4.7
|
25.7
|
1.0
|
|
HG3
|
I:GLU27
|
4.8
|
27.4
|
1.0
|
|
CB
|
I:GLU27
|
4.8
|
25.7
|
1.0
|
|
HG2
|
I:GLU62
|
4.8
|
26.6
|
1.0
|
|
HG3
|
I:GLU62
|
4.9
|
26.7
|
1.0
|
|
HE2
|
I:HIS65
|
4.9
|
28.5
|
0.0
|
|
HG22
|
I:VAL110
|
4.9
|
27.4
|
1.0
|
|
CD
|
I:GLN141
|
4.9
|
30.5
|
1.0
|
|
HB1
|
I:ALA30
|
4.9
|
25.0
|
1.0
|
|
CA
|
I:GLU27
|
4.9
|
26.1
|
1.0
|
|
HG2
|
I:GLU27
|
5.0
|
27.4
|
1.0
|
|
Iron binding site 10 out
of 12 in 8pp3
Go back to
Iron Binding Sites List in 8pp3
Iron binding site 10 out
of 12 in the Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition)
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Binary Crystal Structure of Positively Supercharged Ferritin Variant Ftn(Pos) and Crystal Contact Tuned Negatively Supercharged Ferritin Variant Ftn(Neg)-M1 (Mg Formate Condition) within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Fe201
b:31.4
occ:1.00
|
HD1
|
J:HIS65
|
1.6
|
30.4
|
0.0
|
|
OE1
|
J:GLU62
|
1.9
|
28.1
|
1.0
|
|
OE1
|
J:GLU27
|
2.0
|
25.7
|
1.0
|
|
O
|
J:HOH309
|
2.2
|
28.9
|
1.0
|
|
ND1
|
J:HIS65
|
2.3
|
29.7
|
1.0
|
|
O
|
J:HOH321
|
2.4
|
39.6
|
1.0
|
|
CD
|
J:GLU62
|
2.9
|
25.6
|
1.0
|
|
CD
|
J:GLU27
|
3.0
|
25.9
|
1.0
|
|
OE2
|
J:GLU62
|
3.2
|
30.8
|
1.0
|
|
CE1
|
J:HIS65
|
3.3
|
34.2
|
1.0
|
|
CG
|
J:HIS65
|
3.3
|
27.7
|
1.0
|
|
HB3
|
J:HIS65
|
3.3
|
25.2
|
1.0
|
|
OE2
|
J:GLU27
|
3.3
|
26.9
|
1.0
|
|
HB2
|
J:HIS65
|
3.3
|
25.2
|
1.0
|
|
HG12
|
J:VAL110
|
3.4
|
26.3
|
1.0
|
|
HE1
|
J:HIS65
|
3.4
|
31.7
|
1.0
|
|
CB
|
J:HIS65
|
3.5
|
24.5
|
1.0
|
|
HA
|
J:GLU62
|
3.7
|
23.3
|
1.0
|
|
OE1
|
J:GLN141
|
4.0
|
33.1
|
1.0
|
|
O
|
J:HOH351
|
4.1
|
45.0
|
1.0
|
|
HA
|
J:GLU27
|
4.2
|
24.6
|
1.0
|
|
CG
|
J:GLU62
|
4.3
|
24.8
|
1.0
|
|
CG1
|
J:VAL110
|
4.3
|
26.5
|
1.0
|
|
CG
|
J:GLU27
|
4.3
|
25.1
|
1.0
|
|
HG11
|
J:VAL110
|
4.3
|
26.3
|
1.0
|
|
HD2
|
J:TYR137
|
4.4
|
24.9
|
1.0
|
|
NE2
|
J:HIS65
|
4.4
|
29.3
|
1.0
|
|
CD2
|
J:HIS65
|
4.4
|
29.8
|
1.0
|
|
HB3
|
J:GLU27
|
4.5
|
25.2
|
1.0
|
|
HE2
|
J:TYR137
|
4.5
|
25.4
|
1.0
|
|
HB3
|
J:GLU62
|
4.5
|
23.9
|
1.0
|
|
HB3
|
J:ALA30
|
4.6
|
24.7
|
1.0
|
|
CA
|
J:GLU62
|
4.6
|
22.4
|
1.0
|
|
HG3
|
J:GLU62
|
4.7
|
24.8
|
1.0
|
|
HG3
|
J:GLU27
|
4.7
|
25.4
|
1.0
|
|
CB
|
J:GLU62
|
4.7
|
24.1
|
1.0
|
|
HG22
|
J:VAL110
|
4.7
|
25.8
|
1.0
|
|
HG13
|
J:VAL110
|
4.7
|
26.3
|
1.0
|
|
CB
|
J:GLU27
|
4.8
|
25.5
|
1.0
|
|
HG2
|
J:GLU62
|
4.9
|
24.8
|
1.0
|
|
CA
|
J:GLU27
|
5.0
|
24.5
|
1.0
|
|
CD
|
J:GLN141
|
5.0
|
28.8
|
1.0
|
|
HG2
|
J:GLU27
|
5.0
|
25.4
|
1.0
|
|
Reference:
L.Lang,
H.Bohler,
H.Wagler,
T.Beck.
Assembly Requirements For the Construction of Large-Scale Binary Protein Structures. Biomacromolecules 2023.
ISSN: ESSN 1526-4602
PubMed: 38059469
DOI: 10.1021/ACS.BIOMAC.3C00891
Page generated: Thu Aug 7 20:06:00 2025
|
