Iron in PDB 1vlg: Crystal Structure of Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution
Protein crystallography data
The structure of Crystal Structure of Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution, PDB code: 1vlg
was solved by
Joint Center For Structural Genomics (Jcsg),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
87.73 /
2.00
|
Space group
|
H 3 2 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
175.634,
175.634,
354.843,
90.00,
90.00,
120.00
|
R / Rfree (%)
|
17.8 /
21.8
|
Iron Binding Sites:
The binding sites of Iron atom in the Crystal Structure of Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution
(pdb code 1vlg). This binding sites where shown within
5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the
Crystal Structure of Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution, PDB code: 1vlg:
Jump to Iron binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
Iron binding site 1 out
of 8 in 1vlg
Go back to
Iron Binding Sites List in 1vlg
Iron binding site 1 out
of 8 in the Crystal Structure of Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution
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 Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Fe200
b:38.5
occ:0.87
|
OE1
|
A:GLU52
|
2.0
|
34.0
|
1.0
|
OE1
|
A:GLU19
|
2.3
|
31.1
|
1.0
|
O
|
A:HOH254
|
2.3
|
30.6
|
1.0
|
ND1
|
A:HIS55
|
2.4
|
31.9
|
1.0
|
O
|
A:HOH282
|
2.4
|
29.2
|
1.0
|
O
|
A:HOH283
|
2.7
|
38.0
|
1.0
|
CD
|
A:GLU52
|
3.1
|
34.1
|
1.0
|
CD
|
A:GLU19
|
3.2
|
38.4
|
1.0
|
CE1
|
A:HIS55
|
3.2
|
27.2
|
1.0
|
OE2
|
A:GLU19
|
3.4
|
36.5
|
1.0
|
CG
|
A:HIS55
|
3.5
|
24.9
|
1.0
|
OE2
|
A:GLU52
|
3.5
|
41.6
|
1.0
|
CB
|
A:HIS55
|
3.8
|
22.8
|
1.0
|
OE1
|
A:GLN129
|
3.9
|
27.2
|
1.0
|
NE2
|
A:HIS55
|
4.4
|
23.1
|
1.0
|
CG
|
A:GLU52
|
4.4
|
26.6
|
1.0
|
CG1
|
A:VAL99
|
4.4
|
29.8
|
1.0
|
OE1
|
A:GLU96
|
4.5
|
37.8
|
1.0
|
CG
|
A:GLU19
|
4.5
|
26.1
|
1.0
|
CD2
|
A:HIS55
|
4.5
|
22.3
|
1.0
|
CA
|
A:GLU52
|
4.6
|
24.4
|
1.0
|
OE2
|
A:GLU96
|
4.6
|
39.5
|
1.0
|
CB
|
A:GLU52
|
4.7
|
26.6
|
1.0
|
CB
|
A:GLU19
|
4.9
|
20.9
|
1.0
|
O
|
A:GLU52
|
5.0
|
21.5
|
1.0
|
CD
|
A:GLN129
|
5.0
|
27.2
|
1.0
|
|
Iron binding site 2 out
of 8 in 1vlg
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Iron Binding Sites List in 1vlg
Iron binding site 2 out
of 8 in the Crystal Structure of Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution
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 Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Fe200
b:39.5
occ:0.87
|
OE1
|
B:GLU52
|
2.0
|
33.9
|
1.0
|
OE1
|
B:GLU19
|
2.2
|
30.6
|
1.0
|
ND1
|
B:HIS55
|
2.4
|
28.6
|
1.0
|
O
|
B:HOH286
|
2.4
|
31.9
|
1.0
|
O
|
B:HOH308
|
2.4
|
27.4
|
1.0
|
O
|
B:HOH309
|
2.6
|
32.4
|
1.0
|
CD
|
B:GLU52
|
3.0
|
29.7
|
1.0
|
CD
|
B:GLU19
|
3.1
|
36.9
|
1.0
|
CE1
|
B:HIS55
|
3.2
|
32.4
|
1.0
|
OE2
|
B:GLU52
|
3.4
|
32.9
|
1.0
|
OE2
|
B:GLU19
|
3.4
|
35.5
|
1.0
|
CG
|
B:HIS55
|
3.5
|
24.5
|
1.0
|
CB
|
B:HIS55
|
3.8
|
24.0
|
1.0
|
OE1
|
B:GLN129
|
4.1
|
26.4
|
1.0
|
CG
|
B:GLU52
|
4.3
|
25.4
|
1.0
|
NE2
|
B:HIS55
|
4.4
|
27.7
|
1.0
|
CG1
|
B:VAL99
|
4.5
|
34.3
|
1.0
|
CG
|
B:GLU19
|
4.5
|
24.1
|
1.0
|
CA
|
B:GLU52
|
4.5
|
21.9
|
1.0
|
CD2
|
B:HIS55
|
4.5
|
19.0
|
1.0
|
CB
|
B:GLU52
|
4.5
|
21.5
|
1.0
|
OE1
|
B:GLU96
|
4.6
|
34.8
|
1.0
|
OE2
|
B:GLU96
|
4.7
|
37.4
|
1.0
|
CB
|
B:GLU19
|
4.8
|
21.8
|
1.0
|
OG
|
B:SER22
|
4.9
|
28.3
|
1.0
|
CB
|
B:SER22
|
5.0
|
21.5
|
1.0
|
|
Iron binding site 3 out
of 8 in 1vlg
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Iron Binding Sites List in 1vlg
Iron binding site 3 out
of 8 in the Crystal Structure of Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution
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 Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Fe200
b:40.5
occ:0.90
|
OE1
|
C:GLU52
|
2.0
|
30.6
|
1.0
|
OE1
|
C:GLU19
|
2.2
|
29.3
|
1.0
|
O
|
C:HOH270
|
2.3
|
28.9
|
1.0
|
ND1
|
C:HIS55
|
2.4
|
29.7
|
1.0
|
O
|
C:HOH264
|
2.7
|
40.8
|
1.0
|
O
|
C:HOH263
|
2.7
|
38.6
|
1.0
|
CD
|
C:GLU52
|
3.0
|
30.2
|
1.0
|
CD
|
C:GLU19
|
3.1
|
30.9
|
1.0
|
CE1
|
C:HIS55
|
3.3
|
31.8
|
1.0
|
OE2
|
C:GLU52
|
3.3
|
36.1
|
1.0
|
OE2
|
C:GLU19
|
3.4
|
39.7
|
1.0
|
CG
|
C:HIS55
|
3.5
|
26.1
|
1.0
|
CB
|
C:HIS55
|
3.8
|
25.6
|
1.0
|
OE1
|
C:GLN129
|
4.1
|
26.9
|
1.0
|
CG
|
C:GLU52
|
4.3
|
28.5
|
1.0
|
NE2
|
C:HIS55
|
4.5
|
26.4
|
1.0
|
CG1
|
C:VAL99
|
4.5
|
24.4
|
1.0
|
CG
|
C:GLU19
|
4.5
|
24.4
|
1.0
|
OE1
|
C:GLU96
|
4.5
|
40.8
|
1.0
|
CA
|
C:GLU52
|
4.5
|
21.1
|
1.0
|
CD2
|
C:HIS55
|
4.6
|
25.2
|
1.0
|
OE2
|
C:GLU96
|
4.6
|
37.4
|
1.0
|
CB
|
C:GLU52
|
4.6
|
22.7
|
1.0
|
CB
|
C:GLU19
|
4.9
|
21.5
|
1.0
|
O
|
C:GLU52
|
4.9
|
19.2
|
1.0
|
OG
|
C:SER22
|
5.0
|
26.0
|
1.0
|
|
Iron binding site 4 out
of 8 in 1vlg
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Iron Binding Sites List in 1vlg
Iron binding site 4 out
of 8 in the Crystal Structure of Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution
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 Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Fe200
b:39.4
occ:0.86
|
OE1
|
D:GLU52
|
2.0
|
28.2
|
1.0
|
O
|
D:HOH260
|
2.3
|
30.0
|
1.0
|
OE1
|
D:GLU19
|
2.3
|
32.2
|
1.0
|
ND1
|
D:HIS55
|
2.4
|
32.0
|
1.0
|
O
|
D:HOH262
|
2.4
|
30.4
|
1.0
|
O
|
D:HOH247
|
2.8
|
36.6
|
1.0
|
CD
|
D:GLU52
|
3.0
|
29.9
|
1.0
|
CE1
|
D:HIS55
|
3.2
|
25.4
|
1.0
|
CD
|
D:GLU19
|
3.2
|
34.0
|
1.0
|
OE2
|
D:GLU52
|
3.4
|
34.1
|
1.0
|
CG
|
D:HIS55
|
3.5
|
25.7
|
1.0
|
OE2
|
D:GLU19
|
3.5
|
34.3
|
1.0
|
CB
|
D:HIS55
|
3.8
|
22.8
|
1.0
|
OE1
|
D:GLN129
|
4.1
|
29.2
|
1.0
|
CG
|
D:GLU52
|
4.3
|
28.6
|
1.0
|
NE2
|
D:HIS55
|
4.4
|
26.8
|
1.0
|
CA
|
D:GLU52
|
4.5
|
21.2
|
1.0
|
CG1
|
D:VAL99
|
4.5
|
26.6
|
1.0
|
CD2
|
D:HIS55
|
4.5
|
29.1
|
1.0
|
CB
|
D:GLU52
|
4.6
|
22.8
|
1.0
|
CG
|
D:GLU19
|
4.6
|
24.7
|
1.0
|
OE1
|
D:GLU96
|
4.7
|
38.2
|
1.0
|
OE2
|
D:GLU96
|
4.8
|
38.4
|
1.0
|
CB
|
D:GLU19
|
4.9
|
20.5
|
1.0
|
O
|
D:GLU52
|
5.0
|
24.1
|
1.0
|
OG
|
D:SER22
|
5.0
|
27.0
|
1.0
|
|
Iron binding site 5 out
of 8 in 1vlg
Go back to
Iron Binding Sites List in 1vlg
Iron binding site 5 out
of 8 in the Crystal Structure of Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution
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 Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
E:Fe200
b:50.2
occ:0.77
|
OE1
|
E:GLU52
|
2.0
|
42.2
|
1.0
|
OE1
|
E:GLU19
|
2.3
|
35.4
|
1.0
|
O
|
E:HOH297
|
2.4
|
28.2
|
1.0
|
O
|
E:HOH320
|
2.6
|
33.2
|
1.0
|
ND1
|
E:HIS55
|
2.6
|
39.4
|
1.0
|
CD
|
E:GLU52
|
3.0
|
32.9
|
1.0
|
CD
|
E:GLU19
|
3.2
|
34.3
|
1.0
|
CE1
|
E:HIS55
|
3.4
|
32.5
|
1.0
|
OE2
|
E:GLU52
|
3.4
|
36.6
|
1.0
|
OE2
|
E:GLU19
|
3.5
|
34.2
|
1.0
|
CG
|
E:HIS55
|
3.6
|
27.8
|
1.0
|
CB
|
E:HIS55
|
3.9
|
21.6
|
1.0
|
OE1
|
E:GLN129
|
4.0
|
26.6
|
1.0
|
O
|
E:HOH298
|
4.3
|
30.8
|
1.0
|
CG1
|
E:VAL99
|
4.3
|
27.4
|
1.0
|
CG
|
E:GLU52
|
4.4
|
30.1
|
1.0
|
CG
|
E:GLU19
|
4.6
|
25.4
|
1.0
|
NE2
|
E:HIS55
|
4.6
|
33.0
|
1.0
|
CA
|
E:GLU52
|
4.6
|
20.3
|
1.0
|
CB
|
E:GLU52
|
4.7
|
22.2
|
1.0
|
CD2
|
E:HIS55
|
4.7
|
25.8
|
1.0
|
OE1
|
E:GLU132
|
4.8
|
62.3
|
1.0
|
OE1
|
E:GLU96
|
4.9
|
34.6
|
1.0
|
CB
|
E:GLU19
|
4.9
|
23.9
|
1.0
|
CD
|
E:GLN129
|
5.0
|
28.4
|
1.0
|
OE2
|
E:GLU96
|
5.0
|
45.9
|
1.0
|
|
Iron binding site 6 out
of 8 in 1vlg
Go back to
Iron Binding Sites List in 1vlg
Iron binding site 6 out
of 8 in the Crystal Structure of Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution
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 Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
F:Fe200
b:36.5
occ:0.90
|
OE1
|
F:GLU52
|
2.0
|
33.5
|
1.0
|
OE1
|
F:GLU19
|
2.2
|
27.3
|
1.0
|
O
|
F:HOH241
|
2.2
|
36.6
|
1.0
|
O
|
F:HOH220
|
2.3
|
24.7
|
1.0
|
ND1
|
F:HIS55
|
2.4
|
26.9
|
1.0
|
O
|
F:HOH259
|
2.7
|
34.2
|
1.0
|
CD
|
F:GLU52
|
3.0
|
25.2
|
1.0
|
CD
|
F:GLU19
|
3.2
|
33.7
|
1.0
|
CE1
|
F:HIS55
|
3.3
|
22.0
|
1.0
|
OE2
|
F:GLU52
|
3.3
|
27.7
|
1.0
|
OE2
|
F:GLU19
|
3.5
|
32.5
|
1.0
|
CG
|
F:HIS55
|
3.5
|
22.7
|
1.0
|
CB
|
F:HIS55
|
3.9
|
24.4
|
1.0
|
OE1
|
F:GLN129
|
4.1
|
26.3
|
1.0
|
CG
|
F:GLU52
|
4.3
|
26.1
|
1.0
|
CG1
|
F:VAL99
|
4.4
|
23.5
|
1.0
|
NE2
|
F:HIS55
|
4.4
|
27.2
|
1.0
|
OE1
|
F:GLU96
|
4.5
|
35.8
|
1.0
|
CG
|
F:GLU19
|
4.5
|
24.6
|
1.0
|
CA
|
F:GLU52
|
4.5
|
20.6
|
1.0
|
OE2
|
F:GLU96
|
4.5
|
40.7
|
1.0
|
CD2
|
F:HIS55
|
4.6
|
22.1
|
1.0
|
CB
|
F:GLU52
|
4.6
|
22.5
|
1.0
|
CB
|
F:GLU19
|
4.8
|
19.4
|
1.0
|
CD
|
F:GLU96
|
5.0
|
34.2
|
1.0
|
CB
|
F:SER22
|
5.0
|
19.4
|
1.0
|
|
Iron binding site 7 out
of 8 in 1vlg
Go back to
Iron Binding Sites List in 1vlg
Iron binding site 7 out
of 8 in the Crystal Structure of Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution
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 Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
G:Fe200
b:42.5
occ:0.87
|
OE1
|
G:GLU52
|
2.0
|
32.7
|
1.0
|
OE1
|
G:GLU19
|
2.2
|
31.8
|
1.0
|
O
|
G:HOH238
|
2.4
|
31.1
|
1.0
|
ND1
|
G:HIS55
|
2.4
|
31.6
|
1.0
|
CD
|
G:GLU52
|
3.0
|
36.2
|
1.0
|
CD
|
G:GLU19
|
3.2
|
32.5
|
1.0
|
CE1
|
G:HIS55
|
3.2
|
28.6
|
1.0
|
OE2
|
G:GLU52
|
3.4
|
39.5
|
1.0
|
OE2
|
G:GLU19
|
3.4
|
39.1
|
1.0
|
CG
|
G:HIS55
|
3.6
|
24.9
|
1.0
|
CB
|
G:HIS55
|
4.0
|
22.3
|
1.0
|
OE1
|
G:GLN129
|
4.0
|
28.6
|
1.0
|
CG
|
G:GLU52
|
4.3
|
25.6
|
1.0
|
NE2
|
G:HIS55
|
4.4
|
26.8
|
1.0
|
CA
|
G:GLU52
|
4.5
|
23.9
|
1.0
|
CG1
|
G:VAL99
|
4.5
|
24.4
|
1.0
|
CG
|
G:GLU19
|
4.5
|
24.9
|
1.0
|
CD2
|
G:HIS55
|
4.6
|
26.0
|
1.0
|
CB
|
G:GLU52
|
4.6
|
24.9
|
1.0
|
OE2
|
G:GLU96
|
4.6
|
44.9
|
1.0
|
OE1
|
G:GLU96
|
4.7
|
37.6
|
1.0
|
OE2
|
G:GLU132
|
4.8
|
61.1
|
1.0
|
CB
|
G:GLU19
|
4.9
|
19.0
|
1.0
|
OG
|
G:SER22
|
5.0
|
28.1
|
1.0
|
|
Iron binding site 8 out
of 8 in 1vlg
Go back to
Iron Binding Sites List in 1vlg
Iron binding site 8 out
of 8 in the Crystal Structure of Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution
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 Ferritin (TM1128) From Thermotoga Maritima at 2.00 A Resolution within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
H:Fe200
b:50.2
occ:0.95
|
OE1
|
H:GLU52
|
1.9
|
32.6
|
1.0
|
OE1
|
H:GLU19
|
2.3
|
42.0
|
1.0
|
O
|
H:HOH238
|
2.4
|
39.3
|
1.0
|
ND1
|
H:HIS55
|
2.4
|
30.4
|
1.0
|
O
|
H:HOH237
|
2.6
|
38.2
|
1.0
|
CD
|
H:GLU52
|
3.0
|
27.6
|
1.0
|
CD
|
H:GLU19
|
3.2
|
37.3
|
1.0
|
CE1
|
H:HIS55
|
3.2
|
30.6
|
1.0
|
OE2
|
H:GLU19
|
3.4
|
36.1
|
1.0
|
OE2
|
H:GLU52
|
3.5
|
29.4
|
1.0
|
CG
|
H:HIS55
|
3.5
|
25.2
|
1.0
|
CB
|
H:HIS55
|
3.9
|
24.6
|
1.0
|
OE1
|
H:GLN129
|
4.1
|
23.9
|
1.0
|
CG
|
H:GLU52
|
4.3
|
22.8
|
1.0
|
NE2
|
H:HIS55
|
4.4
|
28.4
|
1.0
|
CG1
|
H:VAL99
|
4.4
|
24.2
|
1.0
|
CB
|
H:GLU52
|
4.4
|
23.0
|
1.0
|
CA
|
H:GLU52
|
4.5
|
22.3
|
1.0
|
CD2
|
H:HIS55
|
4.6
|
29.8
|
1.0
|
CG
|
H:GLU19
|
4.6
|
28.8
|
1.0
|
OE1
|
H:GLU96
|
4.6
|
37.2
|
1.0
|
OE2
|
H:GLU96
|
4.6
|
39.5
|
1.0
|
OE1
|
H:GLU132
|
5.0
|
44.1
|
1.0
|
|
Reference:
Joint Center For Structural Genomics (Jcsg),
Joint Center For Structural Genomics (Jcsg).
N/A N/A.
Page generated: Sat Aug 3 16:14:47 2024
|