Iron in PDB 6suw: Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant
Protein crystallography data
The structure of Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant, PDB code: 6suw
was solved by
J.Marles-Wright,
D.He,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
|
Resolution Low / High (Å)
|
49.40 /
2.66
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
97.889,
120.160,
139.368,
90.00,
95.33,
90.00
|
|
R / Rfree (%)
|
19.3 /
23.4
|
Other elements in 6suw:
The structure of Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant also contains other interesting chemical elements:
Iron Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
20;
Page 3, Binding sites: 21 -
30;
Binding sites:
The binding sites of Iron atom in the Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant
(pdb code 6suw). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 30 binding sites of Iron where determined in the
Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant, PDB code: 6suw:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Iron binding site 1 out
of 30 in 6suw
Go back to
Iron Binding Sites List in 6suw
Iron binding site 1 out
of 30 in the Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 1 of Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe201
b:22.8
occ:1.00
|
OE1
|
A:GLU62
|
2.0
|
32.6
|
1.0
|
|
OE2
|
J:GLU62
|
2.1
|
35.1
|
1.0
|
|
OE1
|
A:GLU32
|
2.3
|
30.0
|
1.0
|
|
OE2
|
A:GLU32
|
2.5
|
30.4
|
1.0
|
|
ND1
|
A:HIS65
|
2.7
|
28.1
|
1.0
|
|
CD
|
A:GLU32
|
2.7
|
29.2
|
1.0
|
|
CD
|
J:GLU62
|
2.8
|
32.6
|
1.0
|
|
OE1
|
J:GLU62
|
2.8
|
32.7
|
1.0
|
|
O
|
J:HOH322
|
3.0
|
23.0
|
1.0
|
|
CD
|
A:GLU62
|
3.1
|
28.6
|
1.0
|
|
FE
|
J:FE201
|
3.3
|
27.9
|
1.0
|
|
O
|
A:HOH315
|
3.4
|
29.4
|
1.0
|
|
HE1
|
A:HIS65
|
3.4
|
37.6
|
1.0
|
|
HA
|
A:GLU62
|
3.4
|
34.4
|
1.0
|
|
CE1
|
A:HIS65
|
3.4
|
31.3
|
1.0
|
|
OE2
|
A:GLU62
|
3.7
|
30.1
|
1.0
|
|
HE2
|
J:TYR39
|
3.7
|
34.2
|
1.0
|
|
CG
|
A:HIS65
|
3.8
|
27.8
|
1.0
|
|
HB2
|
A:HIS65
|
3.8
|
31.8
|
1.0
|
|
HH
|
J:TYR39
|
3.9
|
34.8
|
1.0
|
|
HB3
|
A:GLU62
|
4.0
|
33.9
|
1.0
|
|
HB3
|
A:HIS65
|
4.2
|
31.8
|
1.0
|
|
CB
|
A:HIS65
|
4.2
|
26.4
|
1.0
|
|
CG
|
A:GLU32
|
4.2
|
27.6
|
1.0
|
|
HA
|
A:GLU32
|
4.2
|
29.9
|
1.0
|
|
CG
|
J:GLU62
|
4.3
|
29.0
|
1.0
|
|
CA
|
A:GLU62
|
4.3
|
28.6
|
1.0
|
|
CG
|
A:GLU62
|
4.3
|
26.8
|
1.0
|
|
HE1
|
J:HIS65
|
4.3
|
38.8
|
1.0
|
|
CB
|
A:GLU62
|
4.4
|
28.2
|
1.0
|
|
HB3
|
J:ASN58
|
4.4
|
33.5
|
1.0
|
|
HG3
|
J:GLU62
|
4.5
|
34.9
|
1.0
|
|
HG2
|
A:GLU32
|
4.6
|
33.2
|
1.0
|
|
HG2
|
J:GLU62
|
4.6
|
34.9
|
1.0
|
|
CE2
|
J:TYR39
|
4.6
|
28.5
|
1.0
|
|
HG3
|
A:GLU32
|
4.7
|
33.2
|
1.0
|
|
HB1
|
J:ALA35
|
4.7
|
30.2
|
1.0
|
|
NE2
|
A:HIS65
|
4.7
|
29.3
|
1.0
|
|
HG3
|
A:GLU62
|
4.7
|
32.1
|
1.0
|
|
OH
|
J:TYR39
|
4.8
|
29.0
|
1.0
|
|
HB3
|
A:GLU32
|
4.8
|
34.7
|
1.0
|
|
CD2
|
A:HIS65
|
4.9
|
27.2
|
1.0
|
|
HB3
|
A:ALA35
|
4.9
|
30.6
|
1.0
|
|
CB
|
A:GLU32
|
4.9
|
28.9
|
1.0
|
|
CE1
|
J:HIS65
|
4.9
|
32.3
|
1.0
|
|
ND1
|
J:HIS65
|
5.0
|
30.3
|
1.0
|
|
HG2
|
A:GLU62
|
5.0
|
32.1
|
1.0
|
|
CA
|
A:GLU32
|
5.0
|
24.9
|
1.0
|
|
Iron binding site 2 out
of 30 in 6suw
Go back to
Iron Binding Sites List in 6suw
Iron binding site 2 out
of 30 in the Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 2 of Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe201
b:32.3
occ:1.00
|
OE2
|
C:GLU62
|
1.9
|
31.0
|
1.0
|
|
OE1
|
B:GLU62
|
2.0
|
31.9
|
1.0
|
|
OE1
|
B:GLU32
|
2.5
|
28.8
|
1.0
|
|
OE2
|
B:GLU32
|
2.5
|
26.8
|
1.0
|
|
ND1
|
B:HIS65
|
2.5
|
27.0
|
1.0
|
|
CD
|
C:GLU62
|
2.7
|
30.1
|
1.0
|
|
OE1
|
C:GLU62
|
2.8
|
30.3
|
1.0
|
|
CD
|
B:GLU32
|
2.8
|
27.9
|
1.0
|
|
O
|
C:HOH313
|
2.9
|
23.8
|
1.0
|
|
CD
|
B:GLU62
|
3.1
|
29.8
|
1.0
|
|
CE1
|
B:HIS65
|
3.4
|
28.8
|
1.0
|
|
HA
|
B:GLU62
|
3.4
|
35.8
|
1.0
|
|
HE1
|
B:HIS65
|
3.4
|
34.5
|
1.0
|
|
FE
|
C:FE201
|
3.5
|
32.3
|
1.0
|
|
HB2
|
B:HIS65
|
3.6
|
36.4
|
1.0
|
|
CG
|
B:HIS65
|
3.6
|
29.0
|
1.0
|
|
OE2
|
B:GLU62
|
3.7
|
30.9
|
1.0
|
|
HE2
|
C:TYR39
|
3.8
|
31.5
|
1.0
|
|
HB3
|
B:HIS65
|
3.9
|
36.4
|
1.0
|
|
CB
|
B:HIS65
|
3.9
|
30.3
|
1.0
|
|
HH
|
C:TYR39
|
4.0
|
37.5
|
1.0
|
|
HB3
|
B:GLU62
|
4.0
|
34.6
|
1.0
|
|
HB3
|
C:ASN58
|
4.1
|
35.1
|
1.0
|
|
CG
|
C:GLU62
|
4.1
|
30.6
|
1.0
|
|
HE1
|
C:HIS65
|
4.2
|
38.8
|
1.0
|
|
CA
|
B:GLU62
|
4.2
|
29.8
|
1.0
|
|
CG
|
B:GLU62
|
4.3
|
27.5
|
1.0
|
|
CG
|
B:GLU32
|
4.3
|
26.1
|
1.0
|
|
HG3
|
C:GLU62
|
4.4
|
36.7
|
1.0
|
|
CB
|
B:GLU62
|
4.4
|
28.8
|
1.0
|
|
HG2
|
C:GLU62
|
4.4
|
36.7
|
1.0
|
|
HA
|
B:GLU32
|
4.4
|
33.3
|
1.0
|
|
NE2
|
B:HIS65
|
4.5
|
29.3
|
1.0
|
|
CE2
|
C:TYR39
|
4.6
|
26.3
|
1.0
|
|
CD2
|
B:HIS65
|
4.7
|
27.2
|
1.0
|
|
HG2
|
B:GLU32
|
4.7
|
31.4
|
1.0
|
|
HG3
|
B:GLU32
|
4.7
|
31.4
|
1.0
|
|
HG3
|
B:GLU62
|
4.8
|
33.0
|
1.0
|
|
OH
|
C:TYR39
|
4.8
|
31.2
|
1.0
|
|
HB1
|
C:ALA35
|
4.8
|
35.0
|
1.0
|
|
CE1
|
C:HIS65
|
4.9
|
32.3
|
1.0
|
|
HG2
|
B:GLU62
|
5.0
|
33.0
|
1.0
|
|
HB3
|
B:GLU32
|
5.0
|
32.7
|
1.0
|
|
N
|
B:GLU62
|
5.0
|
28.1
|
1.0
|
|
Iron binding site 3 out
of 30 in 6suw
Go back to
Iron Binding Sites List in 6suw
Iron binding site 3 out
of 30 in the Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 3 of Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe201
b:32.3
occ:1.00
|
OE2
|
B:GLU62
|
1.9
|
30.9
|
1.0
|
|
OE1
|
C:GLU62
|
2.1
|
30.3
|
1.0
|
|
OE2
|
C:GLU32
|
2.2
|
32.8
|
1.0
|
|
OE1
|
C:GLU32
|
2.3
|
25.8
|
1.0
|
|
CD
|
C:GLU32
|
2.6
|
28.5
|
1.0
|
|
ND1
|
C:HIS65
|
2.7
|
28.1
|
1.0
|
|
CD
|
B:GLU62
|
2.8
|
29.8
|
1.0
|
|
O
|
C:HOH313
|
2.8
|
23.8
|
1.0
|
|
OE1
|
B:GLU62
|
3.0
|
31.9
|
1.0
|
|
CD
|
C:GLU62
|
3.2
|
30.1
|
1.0
|
|
HA
|
C:GLU62
|
3.4
|
33.5
|
1.0
|
|
CE1
|
C:HIS65
|
3.5
|
32.3
|
1.0
|
|
HE1
|
C:HIS65
|
3.5
|
38.8
|
1.0
|
|
FE
|
B:FE201
|
3.5
|
32.3
|
1.0
|
|
O
|
C:HOH308
|
3.6
|
32.5
|
1.0
|
|
HB2
|
C:HIS65
|
3.7
|
34.6
|
1.0
|
|
CG
|
C:HIS65
|
3.7
|
27.0
|
1.0
|
|
HE2
|
B:TYR39
|
3.8
|
33.0
|
1.0
|
|
OE2
|
C:GLU62
|
3.9
|
31.0
|
1.0
|
|
HB3
|
C:GLU62
|
3.9
|
33.9
|
1.0
|
|
HH
|
B:TYR39
|
3.9
|
40.6
|
1.0
|
|
CG
|
C:GLU32
|
4.1
|
29.0
|
1.0
|
|
CB
|
C:HIS65
|
4.1
|
28.8
|
1.0
|
|
HB3
|
C:HIS65
|
4.1
|
34.6
|
1.0
|
|
HA
|
C:GLU32
|
4.2
|
35.1
|
1.0
|
|
CG
|
B:GLU62
|
4.2
|
27.5
|
1.0
|
|
HB3
|
B:ASN58
|
4.2
|
38.2
|
1.0
|
|
CA
|
C:GLU62
|
4.2
|
27.9
|
1.0
|
|
CB
|
C:GLU62
|
4.3
|
28.2
|
1.0
|
|
CG
|
C:GLU62
|
4.3
|
30.6
|
1.0
|
|
HG3
|
B:GLU62
|
4.4
|
33.0
|
1.0
|
|
HG2
|
C:GLU32
|
4.4
|
34.8
|
1.0
|
|
HE1
|
B:HIS65
|
4.5
|
34.5
|
1.0
|
|
HG2
|
B:GLU62
|
4.5
|
33.0
|
1.0
|
|
HG3
|
C:GLU32
|
4.5
|
34.8
|
1.0
|
|
CE2
|
B:TYR39
|
4.6
|
27.5
|
1.0
|
|
NE2
|
C:HIS65
|
4.7
|
30.7
|
1.0
|
|
OH
|
B:TYR39
|
4.7
|
33.8
|
1.0
|
|
HB1
|
B:ALA35
|
4.8
|
34.3
|
1.0
|
|
HG3
|
C:GLU62
|
4.8
|
36.7
|
1.0
|
|
HB3
|
C:GLU32
|
4.8
|
35.8
|
1.0
|
|
CD2
|
C:HIS65
|
4.8
|
29.1
|
1.0
|
|
CB
|
C:GLU32
|
4.9
|
29.8
|
1.0
|
|
CA
|
C:GLU32
|
5.0
|
29.2
|
1.0
|
|
Iron binding site 4 out
of 30 in 6suw
Go back to
Iron Binding Sites List in 6suw
Iron binding site 4 out
of 30 in the Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 4 of Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe201
b:37.4
occ:1.00
|
OE2
|
E:GLU62
|
2.0
|
33.4
|
1.0
|
|
OE1
|
D:GLU62
|
2.3
|
38.8
|
1.0
|
|
OE1
|
D:GLU32
|
2.4
|
32.2
|
1.0
|
|
OE2
|
D:GLU32
|
2.4
|
33.7
|
1.0
|
|
ND1
|
D:HIS65
|
2.6
|
33.4
|
1.0
|
|
CD
|
D:GLU32
|
2.7
|
32.3
|
1.0
|
|
CD
|
E:GLU62
|
2.8
|
33.8
|
1.0
|
|
OE1
|
E:GLU62
|
2.8
|
36.8
|
1.0
|
|
O
|
D:HOH317
|
2.9
|
22.4
|
1.0
|
|
CD
|
D:GLU62
|
3.4
|
32.1
|
1.0
|
|
CE1
|
D:HIS65
|
3.4
|
38.0
|
1.0
|
|
HE1
|
D:HIS65
|
3.4
|
45.5
|
1.0
|
|
FE
|
E:FE201
|
3.5
|
33.9
|
1.0
|
|
HA
|
D:GLU62
|
3.5
|
39.1
|
1.0
|
|
O
|
D:HOH309
|
3.5
|
31.5
|
1.0
|
|
CG
|
D:HIS65
|
3.7
|
35.1
|
1.0
|
|
HB2
|
D:HIS65
|
3.7
|
41.8
|
1.0
|
|
HE2
|
E:TYR39
|
3.8
|
40.9
|
1.0
|
|
OE2
|
D:GLU62
|
3.9
|
29.6
|
1.0
|
|
HB3
|
D:HIS65
|
4.0
|
41.8
|
1.0
|
|
CB
|
D:HIS65
|
4.0
|
34.9
|
1.0
|
|
HB3
|
D:GLU62
|
4.1
|
38.3
|
1.0
|
|
HE1
|
E:HIS65
|
4.2
|
43.1
|
1.0
|
|
HH
|
E:TYR39
|
4.2
|
40.5
|
1.0
|
|
HB3
|
E:ASN58
|
4.2
|
39.6
|
1.0
|
|
CG
|
E:GLU62
|
4.2
|
34.0
|
1.0
|
|
CG
|
D:GLU32
|
4.2
|
29.5
|
1.0
|
|
HA
|
D:GLU32
|
4.3
|
34.6
|
1.0
|
|
CA
|
D:GLU62
|
4.4
|
32.6
|
1.0
|
|
HG3
|
E:GLU62
|
4.4
|
40.9
|
1.0
|
|
CG
|
D:GLU62
|
4.5
|
32.0
|
1.0
|
|
CB
|
D:GLU62
|
4.5
|
31.9
|
1.0
|
|
HG2
|
E:GLU62
|
4.6
|
40.9
|
1.0
|
|
HG2
|
D:GLU32
|
4.6
|
35.5
|
1.0
|
|
NE2
|
D:HIS65
|
4.6
|
38.4
|
1.0
|
|
CE2
|
E:TYR39
|
4.7
|
34.1
|
1.0
|
|
HG3
|
D:GLU32
|
4.7
|
35.5
|
1.0
|
|
CD2
|
D:HIS65
|
4.8
|
37.4
|
1.0
|
|
CE1
|
E:HIS65
|
4.8
|
36.0
|
1.0
|
|
HB1
|
E:ALA35
|
4.8
|
35.1
|
1.0
|
|
HB3
|
D:GLU32
|
4.9
|
34.9
|
1.0
|
|
ND1
|
E:HIS65
|
4.9
|
33.0
|
1.0
|
|
HG3
|
D:GLU62
|
5.0
|
38.4
|
1.0
|
|
OH
|
E:TYR39
|
5.0
|
33.7
|
1.0
|
|
CB
|
D:GLU32
|
5.0
|
29.0
|
1.0
|
|
Iron binding site 5 out
of 30 in 6suw
Go back to
Iron Binding Sites List in 6suw
Iron binding site 5 out
of 30 in the Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 5 of Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe201
b:33.9
occ:1.00
|
OE2
|
D:GLU62
|
2.1
|
29.6
|
1.0
|
|
OE1
|
E:GLU62
|
2.3
|
36.8
|
1.0
|
|
OE1
|
E:GLU32
|
2.3
|
28.2
|
1.0
|
|
OE2
|
E:GLU32
|
2.4
|
33.1
|
1.0
|
|
ND1
|
E:HIS65
|
2.6
|
33.0
|
1.0
|
|
CD
|
E:GLU32
|
2.7
|
31.8
|
1.0
|
|
CD
|
D:GLU62
|
2.8
|
32.1
|
1.0
|
|
OE1
|
D:GLU62
|
2.9
|
38.8
|
1.0
|
|
O
|
D:HOH317
|
3.2
|
22.4
|
1.0
|
|
CD
|
E:GLU62
|
3.4
|
33.8
|
1.0
|
|
CE1
|
E:HIS65
|
3.4
|
36.0
|
1.0
|
|
HE1
|
E:HIS65
|
3.4
|
43.1
|
1.0
|
|
FE
|
D:FE201
|
3.5
|
37.4
|
1.0
|
|
HA
|
E:GLU62
|
3.5
|
39.3
|
1.0
|
|
CG
|
E:HIS65
|
3.7
|
34.2
|
1.0
|
|
HB2
|
E:HIS65
|
3.7
|
41.4
|
1.0
|
|
HE2
|
D:TYR39
|
3.7
|
38.3
|
1.0
|
|
HB3
|
E:HIS65
|
3.9
|
41.4
|
1.0
|
|
HH
|
D:TYR39
|
4.0
|
41.7
|
1.0
|
|
CB
|
E:HIS65
|
4.0
|
34.5
|
1.0
|
|
OE2
|
E:GLU62
|
4.0
|
33.4
|
1.0
|
|
HB3
|
E:GLU62
|
4.1
|
36.1
|
1.0
|
|
CG
|
E:GLU32
|
4.2
|
29.1
|
1.0
|
|
HB3
|
D:ASN58
|
4.3
|
41.3
|
1.0
|
|
HA
|
E:GLU32
|
4.3
|
37.0
|
1.0
|
|
CG
|
D:GLU62
|
4.3
|
32.0
|
1.0
|
|
CA
|
E:GLU62
|
4.4
|
32.7
|
1.0
|
|
HE1
|
D:HIS65
|
4.4
|
45.5
|
1.0
|
|
CB
|
E:GLU62
|
4.5
|
30.1
|
1.0
|
|
CG
|
E:GLU62
|
4.5
|
34.0
|
1.0
|
|
HG3
|
D:GLU62
|
4.5
|
38.4
|
1.0
|
|
HG2
|
E:GLU32
|
4.5
|
35.0
|
1.0
|
|
NE2
|
E:HIS65
|
4.6
|
37.4
|
1.0
|
|
CE2
|
D:TYR39
|
4.6
|
31.9
|
1.0
|
|
HG2
|
D:GLU62
|
4.6
|
38.4
|
1.0
|
|
HG3
|
E:GLU32
|
4.6
|
35.0
|
1.0
|
|
HB1
|
D:ALA35
|
4.7
|
32.4
|
1.0
|
|
CD2
|
E:HIS65
|
4.7
|
36.1
|
1.0
|
|
OH
|
D:TYR39
|
4.8
|
34.8
|
1.0
|
|
HB3
|
E:GLU32
|
4.8
|
34.6
|
1.0
|
|
HG3
|
E:GLU62
|
4.9
|
40.9
|
1.0
|
|
CB
|
E:GLU32
|
4.9
|
28.9
|
1.0
|
|
CE1
|
D:HIS65
|
5.0
|
38.0
|
1.0
|
|
Iron binding site 6 out
of 30 in 6suw
Go back to
Iron Binding Sites List in 6suw
Iron binding site 6 out
of 30 in the Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 6 of Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe201
b:32.3
occ:1.00
|
OE2
|
H:GLU62
|
1.9
|
30.5
|
1.0
|
|
OE1
|
F:GLU62
|
2.2
|
33.8
|
1.0
|
|
OE2
|
F:GLU32
|
2.3
|
30.7
|
1.0
|
|
OE1
|
F:GLU32
|
2.4
|
29.2
|
1.0
|
|
CD
|
F:GLU32
|
2.7
|
30.6
|
1.0
|
|
O
|
H:HOH309
|
2.7
|
23.0
|
1.0
|
|
CD
|
H:GLU62
|
2.7
|
29.3
|
1.0
|
|
ND1
|
F:HIS65
|
2.8
|
28.1
|
1.0
|
|
OE1
|
H:GLU62
|
2.9
|
31.5
|
1.0
|
|
CD
|
F:GLU62
|
3.2
|
32.7
|
1.0
|
|
FE
|
H:FE201
|
3.5
|
34.6
|
1.0
|
|
HA
|
F:GLU62
|
3.5
|
36.2
|
1.0
|
|
CE1
|
F:HIS65
|
3.6
|
28.1
|
1.0
|
|
HE1
|
F:HIS65
|
3.6
|
33.8
|
1.0
|
|
HE2
|
H:TYR39
|
3.7
|
35.4
|
1.0
|
|
HB2
|
F:HIS65
|
3.8
|
33.4
|
1.0
|
|
OE2
|
F:GLU62
|
3.8
|
32.4
|
1.0
|
|
CG
|
F:HIS65
|
3.9
|
26.5
|
1.0
|
|
HH
|
H:TYR39
|
4.0
|
36.2
|
1.0
|
|
HB3
|
F:GLU62
|
4.0
|
37.9
|
1.0
|
|
HB3
|
F:HIS65
|
4.1
|
33.4
|
1.0
|
|
CB
|
F:HIS65
|
4.1
|
27.9
|
1.0
|
|
CG
|
H:GLU62
|
4.2
|
29.4
|
1.0
|
|
CG
|
F:GLU32
|
4.2
|
28.0
|
1.0
|
|
HB3
|
H:ASN58
|
4.2
|
34.1
|
1.0
|
|
HA
|
F:GLU32
|
4.3
|
32.9
|
1.0
|
|
HG3
|
H:GLU62
|
4.4
|
35.2
|
1.0
|
|
CA
|
F:GLU62
|
4.4
|
30.2
|
1.0
|
|
CG
|
F:GLU62
|
4.4
|
31.7
|
1.0
|
|
HE1
|
H:HIS65
|
4.4
|
39.8
|
1.0
|
|
CB
|
F:GLU62
|
4.4
|
31.5
|
1.0
|
|
HG2
|
H:GLU62
|
4.5
|
35.2
|
1.0
|
|
HG2
|
F:GLU32
|
4.5
|
33.6
|
1.0
|
|
CE2
|
H:TYR39
|
4.6
|
29.5
|
1.0
|
|
HG3
|
F:GLU32
|
4.6
|
33.6
|
1.0
|
|
HB1
|
H:ALA35
|
4.7
|
32.1
|
1.0
|
|
OH
|
H:TYR39
|
4.8
|
30.1
|
1.0
|
|
NE2
|
F:HIS65
|
4.8
|
26.2
|
1.0
|
|
HG3
|
F:GLU62
|
4.8
|
38.0
|
1.0
|
|
HB3
|
F:GLU32
|
4.9
|
33.3
|
1.0
|
|
CD2
|
F:HIS65
|
4.9
|
28.1
|
1.0
|
|
CB
|
F:GLU32
|
5.0
|
27.7
|
1.0
|
|
HB3
|
F:ALA35
|
5.0
|
30.1
|
1.0
|
|
Iron binding site 7 out
of 30 in 6suw
Go back to
Iron Binding Sites List in 6suw
Iron binding site 7 out
of 30 in the Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 7 of Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe201
b:33.6
occ:1.00
|
OE2
|
I:GLU62
|
1.9
|
27.8
|
1.0
|
|
OE1
|
G:GLU62
|
2.0
|
30.9
|
1.0
|
|
OE2
|
G:GLU32
|
2.4
|
28.0
|
1.0
|
|
OE1
|
G:GLU32
|
2.5
|
27.9
|
1.0
|
|
CD
|
I:GLU62
|
2.7
|
28.8
|
1.0
|
|
ND1
|
G:HIS65
|
2.7
|
25.7
|
1.0
|
|
CD
|
G:GLU32
|
2.8
|
26.8
|
1.0
|
|
OE1
|
I:GLU62
|
2.8
|
28.4
|
1.0
|
|
O
|
I:HOH318
|
3.1
|
17.1
|
1.0
|
|
CD
|
G:GLU62
|
3.1
|
29.5
|
1.0
|
|
FE
|
I:FE201
|
3.3
|
27.7
|
1.0
|
|
HE1
|
G:HIS65
|
3.4
|
36.6
|
1.0
|
|
HA
|
G:GLU62
|
3.4
|
31.2
|
1.0
|
|
CE1
|
G:HIS65
|
3.4
|
30.5
|
1.0
|
|
HE2
|
I:TYR39
|
3.7
|
32.7
|
1.0
|
|
OE2
|
G:GLU62
|
3.7
|
30.9
|
1.0
|
|
HB2
|
G:HIS65
|
3.8
|
33.0
|
1.0
|
|
CG
|
G:HIS65
|
3.8
|
29.3
|
1.0
|
|
HH
|
I:TYR39
|
3.8
|
34.2
|
1.0
|
|
HB3
|
G:GLU62
|
4.0
|
30.8
|
1.0
|
|
CG
|
I:GLU62
|
4.1
|
27.3
|
1.0
|
|
HB3
|
G:HIS65
|
4.2
|
33.0
|
1.0
|
|
CB
|
G:HIS65
|
4.2
|
27.5
|
1.0
|
|
HB3
|
I:ASN58
|
4.2
|
29.5
|
1.0
|
|
HE1
|
I:HIS65
|
4.2
|
37.4
|
1.0
|
|
CG
|
G:GLU32
|
4.3
|
26.6
|
1.0
|
|
CA
|
G:GLU62
|
4.3
|
26.0
|
1.0
|
|
HG3
|
I:GLU62
|
4.3
|
32.7
|
1.0
|
|
CG
|
G:GLU62
|
4.3
|
28.6
|
1.0
|
|
HA
|
G:GLU32
|
4.4
|
30.8
|
1.0
|
|
CB
|
G:GLU62
|
4.4
|
25.6
|
1.0
|
|
HG2
|
I:GLU62
|
4.5
|
32.7
|
1.0
|
|
CE2
|
I:TYR39
|
4.6
|
27.3
|
1.0
|
|
NE2
|
G:HIS65
|
4.6
|
31.0
|
1.0
|
|
HG2
|
G:GLU32
|
4.6
|
31.9
|
1.0
|
|
OH
|
I:TYR39
|
4.7
|
28.5
|
1.0
|
|
HG3
|
G:GLU32
|
4.7
|
31.9
|
1.0
|
|
HB1
|
I:ALA35
|
4.8
|
30.5
|
1.0
|
|
HG3
|
G:GLU62
|
4.8
|
34.3
|
1.0
|
|
CE1
|
I:HIS65
|
4.8
|
31.2
|
1.0
|
|
CD2
|
G:HIS65
|
4.8
|
28.0
|
1.0
|
|
ND1
|
I:HIS65
|
4.9
|
32.1
|
1.0
|
|
HB3
|
G:GLU32
|
4.9
|
28.7
|
1.0
|
|
HG2
|
G:GLU62
|
5.0
|
34.3
|
1.0
|
|
Iron binding site 8 out
of 30 in 6suw
Go back to
Iron Binding Sites List in 6suw
Iron binding site 8 out
of 30 in the Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 8 of Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe201
b:34.6
occ:1.00
|
OE2
|
F:GLU62
|
1.9
|
32.4
|
1.0
|
|
OE1
|
H:GLU62
|
2.2
|
31.5
|
1.0
|
|
OE2
|
H:GLU32
|
2.3
|
29.9
|
1.0
|
|
OE1
|
H:GLU32
|
2.4
|
33.7
|
1.0
|
|
ND1
|
H:HIS65
|
2.6
|
31.5
|
1.0
|
|
CD
|
H:GLU32
|
2.7
|
29.4
|
1.0
|
|
CD
|
F:GLU62
|
2.7
|
32.7
|
1.0
|
|
OE1
|
F:GLU62
|
2.9
|
33.8
|
1.0
|
|
O
|
H:HOH309
|
3.0
|
23.0
|
1.0
|
|
CD
|
H:GLU62
|
3.3
|
29.3
|
1.0
|
|
CE1
|
H:HIS65
|
3.4
|
33.2
|
1.0
|
|
HE1
|
H:HIS65
|
3.4
|
39.8
|
1.0
|
|
FE
|
F:FE201
|
3.5
|
32.3
|
1.0
|
|
HA
|
H:GLU62
|
3.6
|
35.8
|
1.0
|
|
HE2
|
F:TYR39
|
3.6
|
36.1
|
1.0
|
|
CG
|
H:HIS65
|
3.7
|
31.4
|
1.0
|
|
HB2
|
H:HIS65
|
3.7
|
34.5
|
1.0
|
|
OE2
|
H:GLU62
|
3.9
|
30.5
|
1.0
|
|
HH
|
F:TYR39
|
3.9
|
33.4
|
1.0
|
|
HB3
|
H:HIS65
|
4.0
|
34.5
|
1.0
|
|
CB
|
H:HIS65
|
4.1
|
28.7
|
1.0
|
|
HB3
|
F:ASN58
|
4.1
|
35.6
|
1.0
|
|
CG
|
F:GLU62
|
4.1
|
31.7
|
1.0
|
|
HB3
|
H:GLU62
|
4.2
|
31.7
|
1.0
|
|
CG
|
H:GLU32
|
4.2
|
27.2
|
1.0
|
|
HG3
|
F:GLU62
|
4.3
|
38.0
|
1.0
|
|
HA
|
H:GLU32
|
4.3
|
28.8
|
1.0
|
|
HE1
|
F:HIS65
|
4.4
|
33.8
|
1.0
|
|
CA
|
H:GLU62
|
4.4
|
29.9
|
1.0
|
|
HG2
|
F:GLU62
|
4.5
|
38.0
|
1.0
|
|
CG
|
H:GLU62
|
4.5
|
29.4
|
1.0
|
|
CE2
|
F:TYR39
|
4.5
|
30.1
|
1.0
|
|
CB
|
H:GLU62
|
4.5
|
26.4
|
1.0
|
|
HG2
|
H:GLU32
|
4.6
|
32.7
|
1.0
|
|
HG3
|
H:GLU32
|
4.6
|
32.7
|
1.0
|
|
NE2
|
H:HIS65
|
4.6
|
32.5
|
1.0
|
|
HB1
|
F:ALA35
|
4.7
|
30.1
|
1.0
|
|
OH
|
F:TYR39
|
4.7
|
27.8
|
1.0
|
|
CD2
|
H:HIS65
|
4.8
|
31.2
|
1.0
|
|
HB3
|
H:GLU32
|
4.9
|
31.1
|
1.0
|
|
HG3
|
H:GLU62
|
4.9
|
35.2
|
1.0
|
|
CB
|
H:GLU32
|
5.0
|
25.9
|
1.0
|
|
Iron binding site 9 out
of 30 in 6suw
Go back to
Iron Binding Sites List in 6suw
Iron binding site 9 out
of 30 in the Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 9 of Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
I:Fe201
b:27.7
occ:1.00
|
OE2
|
G:GLU62
|
1.9
|
30.9
|
1.0
|
|
OE1
|
I:GLU62
|
2.1
|
28.4
|
1.0
|
|
OE2
|
I:GLU32
|
2.4
|
29.6
|
1.0
|
|
OE1
|
I:GLU32
|
2.4
|
31.8
|
1.0
|
|
ND1
|
I:HIS65
|
2.6
|
32.1
|
1.0
|
|
CD
|
G:GLU62
|
2.7
|
29.5
|
1.0
|
|
CD
|
I:GLU32
|
2.8
|
28.7
|
1.0
|
|
OE1
|
G:GLU62
|
2.8
|
30.9
|
1.0
|
|
O
|
I:HOH318
|
2.9
|
17.1
|
1.0
|
|
CD
|
I:GLU62
|
3.2
|
28.8
|
1.0
|
|
FE
|
G:FE201
|
3.3
|
33.6
|
1.0
|
|
HE1
|
I:HIS65
|
3.4
|
37.4
|
1.0
|
|
CE1
|
I:HIS65
|
3.4
|
31.2
|
1.0
|
|
HA
|
I:GLU62
|
3.4
|
33.0
|
1.0
|
|
HE2
|
G:TYR39
|
3.6
|
32.3
|
1.0
|
|
CG
|
I:HIS65
|
3.7
|
29.2
|
1.0
|
|
HB2
|
I:HIS65
|
3.7
|
34.3
|
1.0
|
|
HH
|
G:TYR39
|
3.8
|
38.4
|
1.0
|
|
OE2
|
I:GLU62
|
3.9
|
27.8
|
1.0
|
|
HB3
|
I:GLU62
|
4.0
|
32.9
|
1.0
|
|
HB3
|
I:HIS65
|
4.0
|
34.3
|
1.0
|
|
CB
|
I:HIS65
|
4.1
|
28.6
|
1.0
|
|
CG
|
G:GLU62
|
4.1
|
28.6
|
1.0
|
|
HB3
|
G:ASN58
|
4.2
|
33.3
|
1.0
|
|
CG
|
I:GLU32
|
4.3
|
23.6
|
1.0
|
|
CA
|
I:GLU62
|
4.3
|
27.5
|
1.0
|
|
HG3
|
G:GLU62
|
4.3
|
34.3
|
1.0
|
|
HE1
|
G:HIS65
|
4.3
|
36.6
|
1.0
|
|
HA
|
I:GLU32
|
4.4
|
29.9
|
1.0
|
|
CG
|
I:GLU62
|
4.4
|
27.3
|
1.0
|
|
CB
|
I:GLU62
|
4.4
|
27.4
|
1.0
|
|
HG2
|
G:GLU62
|
4.4
|
34.3
|
1.0
|
|
CE2
|
G:TYR39
|
4.5
|
26.9
|
1.0
|
|
OH
|
G:TYR39
|
4.6
|
32.0
|
1.0
|
|
NE2
|
I:HIS65
|
4.6
|
31.2
|
1.0
|
|
HG2
|
I:GLU32
|
4.6
|
28.4
|
1.0
|
|
HG3
|
I:GLU32
|
4.7
|
28.4
|
1.0
|
|
CD2
|
I:HIS65
|
4.8
|
28.9
|
1.0
|
|
HB1
|
G:ALA35
|
4.8
|
30.5
|
1.0
|
|
HG3
|
I:GLU62
|
4.8
|
32.7
|
1.0
|
|
HB3
|
I:GLU32
|
4.9
|
29.7
|
1.0
|
|
CE1
|
G:HIS65
|
5.0
|
30.5
|
1.0
|
|
Iron binding site 10 out
of 30 in 6suw
Go back to
Iron Binding Sites List in 6suw
Iron binding site 10 out
of 30 in the Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant
 Mono view
 Stereo pair view
|
|
A full contact list of Iron with other atoms in the Fe binding
site number 10 of Crystal Structure of Rhodospirillum Rubrum RRU_A0973 E31A Variant within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
J:Fe201
b:27.9
occ:1.00
|
OE2
|
A:GLU62
|
2.0
|
30.1
|
1.0
|
|
OE1
|
J:GLU62
|
2.1
|
32.7
|
1.0
|
|
OE1
|
J:GLU32
|
2.4
|
27.9
|
1.0
|
|
OE2
|
J:GLU32
|
2.5
|
28.4
|
1.0
|
|
ND1
|
J:HIS65
|
2.6
|
30.3
|
1.0
|
|
CD
|
A:GLU62
|
2.8
|
28.6
|
1.0
|
|
CD
|
J:GLU32
|
2.8
|
28.3
|
1.0
|
|
OE1
|
A:GLU62
|
2.9
|
32.6
|
1.0
|
|
O
|
J:HOH322
|
3.2
|
23.0
|
1.0
|
|
O
|
J:HOH309
|
3.3
|
27.1
|
1.0
|
|
CD
|
J:GLU62
|
3.3
|
32.6
|
1.0
|
|
FE
|
A:FE201
|
3.3
|
22.8
|
1.0
|
|
CE1
|
J:HIS65
|
3.4
|
32.3
|
1.0
|
|
HE1
|
J:HIS65
|
3.4
|
38.8
|
1.0
|
|
HA
|
J:GLU62
|
3.5
|
34.2
|
1.0
|
|
HE2
|
A:TYR39
|
3.7
|
35.1
|
1.0
|
|
HB2
|
J:HIS65
|
3.7
|
33.5
|
1.0
|
|
CG
|
J:HIS65
|
3.7
|
31.6
|
1.0
|
|
OE2
|
J:GLU62
|
3.9
|
35.1
|
1.0
|
|
HH
|
A:TYR39
|
4.0
|
30.8
|
1.0
|
|
HB3
|
J:HIS65
|
4.1
|
33.5
|
1.0
|
|
CB
|
J:HIS65
|
4.1
|
27.9
|
1.0
|
|
HB3
|
J:GLU62
|
4.1
|
34.0
|
1.0
|
|
HB3
|
A:ASN58
|
4.2
|
32.8
|
1.0
|
|
HE1
|
A:HIS65
|
4.2
|
37.6
|
1.0
|
|
CG
|
A:GLU62
|
4.2
|
26.8
|
1.0
|
|
CG
|
J:GLU32
|
4.3
|
27.2
|
1.0
|
|
HA
|
J:GLU32
|
4.3
|
32.6
|
1.0
|
|
CA
|
J:GLU62
|
4.4
|
28.5
|
1.0
|
|
HG3
|
A:GLU62
|
4.4
|
32.1
|
1.0
|
|
CG
|
J:GLU62
|
4.5
|
29.0
|
1.0
|
|
CB
|
J:GLU62
|
4.5
|
28.3
|
1.0
|
|
HG2
|
A:GLU62
|
4.5
|
32.1
|
1.0
|
|
CE2
|
A:TYR39
|
4.6
|
29.3
|
1.0
|
|
NE2
|
J:HIS65
|
4.6
|
29.3
|
1.0
|
|
HG2
|
J:GLU32
|
4.6
|
32.6
|
1.0
|
|
HB1
|
A:ALA35
|
4.7
|
30.6
|
1.0
|
|
HG3
|
J:GLU32
|
4.8
|
32.6
|
1.0
|
|
OH
|
A:TYR39
|
4.8
|
25.6
|
1.0
|
|
CD2
|
J:HIS65
|
4.8
|
30.0
|
1.0
|
|
CE1
|
A:HIS65
|
4.9
|
31.3
|
1.0
|
|
HB3
|
J:GLU32
|
4.9
|
32.5
|
1.0
|
|
HG3
|
J:GLU62
|
4.9
|
34.9
|
1.0
|
|
HB3
|
J:ALA35
|
5.0
|
30.2
|
1.0
|
|
ND1
|
A:HIS65
|
5.0
|
28.1
|
1.0
|
|
Reference:
C.Piergentili,
J.Ross,
D.He,
K.J.Gallagher,
W.A.Stanley,
L.Adam,
C.L.Mackay,
A.Basle,
K.J.Waldron,
D.J.Clarke,
J.Marles-Wright.
Dissecting the Structural and Functional Roles of A Putative Metal Entry Site in Encapsulated Ferritins. J.Biol.Chem. V. 295 15511 2020.
ISSN: ESSN 1083-351X
PubMed: 32878987
DOI: 10.1074/JBC.RA120.014502
Page generated: Sun Dec 13 17:06:17 2020
|
