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PyDISH No: 07137

PDB: 3sce,
chainID: A, resSeq: 1003
heme type: C

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.45 Å

axial ligand #1: HIS

chainID: A,
resSeq: 30,
Coordination distance[Å]: 1.995
molecule: Eight-heme nitrite reductase
EC number: 1.7.2.-
Organism: Thioalkalivibrio nitratireducens

axial ligand #2: HIS

chainID: A,
resSeq: 70,
Coordination distance[Å]: 1.978
molecule: same as ligand #1

List of other hemes in pdb:3sce

ID of heme Distortion Axial ligands on heme Function & structure
3sce-A-1004
sad. +0.53
ruf. -0.49
dom. +0.08
bre. -0.14
LYS chainID: A,
resSeq: 188,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 420.0 Å3
d(Fe-oop): 0.030 Å
PO4 chainID: A, resSeq: 1,
molecule: PHOSPHATE ION
3sce-A-1005
sad. +1.12
ruf. -0.31
dom. -0.03
bre. +0.00
HIS chainID: A,
resSeq: 231,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 534.0 Å3
d(Fe-oop): 0.015 Å
HIS chainID: A, resSeq: 398,
molecule: Eight-heme nitrite reductase
3sce-A-1006
sad. -0.19
ruf. -0.74
dom. +0.22
bre. -0.06
HIS chainID: A,
resSeq: 119,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 405.0 Å3
d(Fe-oop): 0.010 Å
HIS chainID: A, resSeq: 300,
molecule: Eight-heme nitrite reductase
3sce-A-1007
sad. +0.77
ruf. -0.64
dom. -0.12
bre. -0.04
HIS chainID: A,
resSeq: 383,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 471.0 Å3
d(Fe-oop): 0.030 Å
HIS chainID: A, resSeq: 491,
molecule: Eight-heme nitrite reductase
3sce-A-1008
sad. -0.43
ruf. -0.76
dom. +0.17
bre. -0.07
HIS chainID: A,
resSeq: 372,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 555.0 Å3
d(Fe-oop): 0.021 Å
HIS chainID: A, resSeq: 415,
molecule: Eight-heme nitrite reductase
3sce-A-1002
sad. -0.12
ruf. -0.42
dom. +0.01
bre. -0.12
HIS chainID: A,
resSeq: 39,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 384.0 Å3
d(Fe-oop): 0.032 Å
HIS chainID: A, resSeq: 234,
molecule: Eight-heme nitrite reductase
3sce-A-1001
sad. -0.02
ruf. -0.39
dom. -0.05
bre. -0.16
HIS chainID: A,
resSeq: 18,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 443.0 Å3
d(Fe-oop): 0.049 Å
HIS chainID: A, resSeq: 44,
molecule: Eight-heme nitrite reductase
3sce-B-1004
sad. +0.53
ruf. -0.51
dom. +0.09
bre. -0.15
LYS chainID: B,
resSeq: 188,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 397.0 Å3
d(Fe-oop): 0.021 Å
HOH chainID: B, resSeq: 1114,
molecule: water
3sce-B-1005
sad. +1.11
ruf. -0.32
dom. -0.04
bre. -0.03
HIS chainID: B,
resSeq: 231,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 530.0 Å3
d(Fe-oop): 0.027 Å
HIS chainID: B, resSeq: 398,
molecule: Eight-heme nitrite reductase
3sce-B-1006
sad. -0.21
ruf. -0.74
dom. +0.23
bre. -0.07
HIS chainID: B,
resSeq: 119,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 412.0 Å3
d(Fe-oop): 0.001 Å
HIS chainID: B, resSeq: 300,
molecule: Eight-heme nitrite reductase
3sce-B-1007
sad. +0.77
ruf. -0.63
dom. -0.11
bre. -0.02
HIS chainID: B,
resSeq: 383,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 434.0 Å3
d(Fe-oop): 0.028 Å
HIS chainID: B, resSeq: 491,
molecule: Eight-heme nitrite reductase
3sce-B-1008
sad. -0.41
ruf. -0.77
dom. +0.18
bre. -0.06
HIS chainID: B,
resSeq: 372,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 581.0 Å3
d(Fe-oop): 0.014 Å
HIS chainID: B, resSeq: 415,
molecule: Eight-heme nitrite reductase
3sce-B-1002
sad. -0.13
ruf. -0.44
dom. +0.00
bre. -0.10
HIS chainID: B,
resSeq: 39,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 360.0 Å3
d(Fe-oop): 0.022 Å
HIS chainID: B, resSeq: 234,
molecule: Eight-heme nitrite reductase
3sce-B-1003
sad. +0.34
ruf. -0.50
dom. +0.00
bre. -0.11
HIS chainID: B,
resSeq: 30,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 534.0 Å3
d(Fe-oop): 0.022 Å
HIS chainID: B, resSeq: 70,
molecule: Eight-heme nitrite reductase
3sce-B-1001
sad. -0.22
ruf. -0.36
dom. -0.05
bre. -0.13
HIS chainID: B,
resSeq: 18,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 398.0 Å3
d(Fe-oop): 0.033 Å
HIS chainID: B, resSeq: 44,
molecule: Eight-heme nitrite reductase