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PyDISH No: 07117

PDB: 3s7w,
chainID: A, resSeq: 1007
heme type: C

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.79 Å

axial ligand #1: HIS

chainID: A,
resSeq: 383,
Coordination distance[Å]: 1.95
molecule: Eight-heme nitrite reductase
Organism: Thioalkalivibrio nitratireducens

axial ligand #2: HIS

chainID: A,
resSeq: 491,
Coordination distance[Å]: 1.956
molecule: same as ligand #1

List of other hemes in pdb:3s7w

ID of heme Distortion Axial ligands on heme Function & structure
3s7w-A-1004
sad. +0.57
ruf. -0.52
dom. +0.09
bre. -0.23
LYS chainID: A,
resSeq: 188,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 425.0 Å3
d(Fe-oop): 0.076 Å
NO2 chainID: A, resSeq: 1,
molecule: NITRITE ION
3s7w-A-1005
sad. +1.11
ruf. -0.29
dom. +0.00
bre. -0.16
HIS chainID: A,
resSeq: 231,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 497.0 Å3
d(Fe-oop): 0.078 Å
HIS chainID: A, resSeq: 398,
molecule: Eight-heme nitrite reductase
3s7w-A-1006
sad. -0.20
ruf. -0.72
dom. +0.25
bre. -0.22
HIS chainID: A,
resSeq: 119,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 435.0 Å3
d(Fe-oop): 0.010 Å
HIS chainID: A, resSeq: 300,
molecule: Eight-heme nitrite reductase
3s7w-A-1008
sad. -0.34
ruf. -0.81
dom. +0.23
bre. -0.17
HIS chainID: A,
resSeq: 372,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 583.0 Å3
d(Fe-oop): 0.049 Å
HIS chainID: A, resSeq: 415,
molecule: Eight-heme nitrite reductase
3s7w-A-1002
sad. -0.15
ruf. -0.41
dom. +0.04
bre. -0.30
HIS chainID: A,
resSeq: 39,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 369.0 Å3
d(Fe-oop): 0.064 Å
HIS chainID: A, resSeq: 234,
molecule: Eight-heme nitrite reductase
3s7w-A-1003
sad. +0.39
ruf. -0.41
dom. +0.04
bre. -0.24
HIS chainID: A,
resSeq: 30,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 535.0 Å3
d(Fe-oop): 0.026 Å
HIS chainID: A, resSeq: 70,
molecule: Eight-heme nitrite reductase
3s7w-A-1001
sad. -0.11
ruf. -0.30
dom. -0.08
bre. -0.37
HIS chainID: A,
resSeq: 18,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 427.0 Å3
d(Fe-oop): 0.016 Å
HIS chainID: A, resSeq: 44,
molecule: Eight-heme nitrite reductase
3s7w-B-1004
sad. +0.61
ruf. -0.44
dom. +0.07
bre. -0.26
LYS chainID: B,
resSeq: 188,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 448.0 Å3
d(Fe-oop): 0.067 Å
NO2 chainID: B, resSeq: 1,
molecule: NITRITE ION
3s7w-B-1005
sad. +1.10
ruf. -0.29
dom. -0.02
bre. -0.19
HIS chainID: B,
resSeq: 231,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 501.0 Å3
d(Fe-oop): 0.046 Å
HIS chainID: B, resSeq: 398,
molecule: Eight-heme nitrite reductase
3s7w-B-1006
sad. -0.16
ruf. -0.73
dom. +0.27
bre. -0.16
HIS chainID: B,
resSeq: 119,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 431.0 Å3
d(Fe-oop): 0.039 Å
HIS chainID: B, resSeq: 300,
molecule: Eight-heme nitrite reductase
3s7w-B-1008
sad. -0.32
ruf. -0.77
dom. +0.23
bre. -0.16
HIS chainID: B,
resSeq: 372,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 576.0 Å3
d(Fe-oop): 0.084 Å
HIS chainID: B, resSeq: 415,
molecule: Eight-heme nitrite reductase
3s7w-B-1002
sad. -0.12
ruf. -0.40
dom. +0.02
bre. -0.27
HIS chainID: B,
resSeq: 39,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 368.0 Å3
d(Fe-oop): 0.045 Å
HIS chainID: B, resSeq: 234,
molecule: Eight-heme nitrite reductase
3s7w-B-1003
sad. +0.39
ruf. -0.53
dom. +0.04
bre. -0.22
HIS chainID: B,
resSeq: 30,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 518.0 Å3
d(Fe-oop): 0.044 Å
HIS chainID: B, resSeq: 70,
molecule: Eight-heme nitrite reductase
3s7w-B-1001
sad. +0.05
ruf. -0.30
dom. -0.04
bre. -0.33
HIS chainID: B,
resSeq: 18,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 457.0 Å3
d(Fe-oop): 0.036 Å
HIS chainID: B, resSeq: 44,
molecule: Eight-heme nitrite reductase