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PyDISH No: 09512

PDB: 4q5c,
chainID: B, resSeq: 604
heme type: C

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.62 Å

axial ligand #1: HIS

chainID: B,
resSeq: 383,
Coordination distance[Å]: 1.974
molecule: Eight-heme nitrite reductase
Organism: Thioalkalivibrio nitratireducens

axial ligand #2: HIS

chainID: B,
resSeq: 491,
Coordination distance[Å]: 1.952
molecule: same as ligand #1

List of other hemes in pdb:4q5c

ID of heme Distortion Axial ligands on heme Function & structure
4q5c-A-601
sad. +0.55
ruf. -0.66
dom. +0.01
bre. -0.30
LYS chainID: A,
resSeq: 188,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 430.0 Å3
d(Fe-oop): 0.008 Å
SO3 chainID: A, resSeq: 609,
molecule: SULFITE ION
4q5c-A-602
sad. +1.06
ruf. -0.48
dom. -0.16
bre. -0.25
HIS chainID: A,
resSeq: 231,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 486.0 Å3
d(Fe-oop): 0.006 Å
HIS chainID: A, resSeq: 398,
molecule: Eight-heme nitrite reductase
4q5c-A-603
sad. -0.20
ruf. -0.87
dom. +0.11
bre. -0.28
HIS chainID: A,
resSeq: 119,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 429.0 Å3
d(Fe-oop): 0.008 Å
HIS chainID: A, resSeq: 300,
molecule: Eight-heme nitrite reductase
4q5c-A-604
sad. +0.69
ruf. -0.86
dom. -0.19
bre. -0.23
HIS chainID: A,
resSeq: 383,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 431.0 Å3
d(Fe-oop): 0.017 Å
HIS chainID: A, resSeq: 491,
molecule: Eight-heme nitrite reductase
4q5c-A-605
sad. -0.27
ruf. -1.14
dom. +0.03
bre. -0.32
HIS chainID: A,
resSeq: 372,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 538.0 Å3
d(Fe-oop): 0.001 Å
HIS chainID: A, resSeq: 415,
molecule: Eight-heme nitrite reductase
4q5c-A-606
sad. -0.12
ruf. -0.57
dom. -0.10
bre. -0.35
HIS chainID: A,
resSeq: 39,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 364.0 Å3
d(Fe-oop): 0.013 Å
HIS chainID: A, resSeq: 234,
molecule: Eight-heme nitrite reductase
4q5c-A-607
sad. +0.36
ruf. -0.73
dom. -0.09
bre. -0.31
HIS chainID: A,
resSeq: 30,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 497.0 Å3
d(Fe-oop): 0.009 Å
HIS chainID: A, resSeq: 70,
molecule: Eight-heme nitrite reductase
4q5c-A-608
sad. +0.06
ruf. -0.53
dom. -0.15
bre. -0.39
HIS chainID: A,
resSeq: 18,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 426.0 Å3
d(Fe-oop): 0.015 Å
HIS chainID: A, resSeq: 44,
molecule: Eight-heme nitrite reductase
4q5c-B-601
sad. +0.54
ruf. -0.59
dom. -0.01
bre. -0.28
LYS chainID: B,
resSeq: 188,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 408.0 Å3
d(Fe-oop): 0.007 Å
SO3 chainID: B, resSeq: 610,
molecule: SULFITE ION
4q5c-B-602
sad. +1.11
ruf. -0.45
dom. -0.12
bre. -0.21
HIS chainID: B,
resSeq: 231,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 491.0 Å3
d(Fe-oop): 0.023 Å
HIS chainID: B, resSeq: 398,
molecule: Eight-heme nitrite reductase
4q5c-B-603
sad. -0.27
ruf. -0.86
dom. +0.13
bre. -0.25
HIS chainID: B,
resSeq: 119,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 419.0 Å3
d(Fe-oop): 0.012 Å
HIS chainID: B, resSeq: 300,
molecule: Eight-heme nitrite reductase
4q5c-B-605
sad. -0.28
ruf. -1.23
dom. +0.03
bre. -0.26
HIS chainID: B,
resSeq: 372,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 511.0 Å3
d(Fe-oop): 0.002 Å
HIS chainID: B, resSeq: 415,
molecule: Eight-heme nitrite reductase
4q5c-B-606
sad. -0.10
ruf. -0.58
dom. -0.09
bre. -0.36
HIS chainID: B,
resSeq: 39,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 383.0 Å3
d(Fe-oop): 0.014 Å
HIS chainID: B, resSeq: 234,
molecule: Eight-heme nitrite reductase
4q5c-B-607
sad. +0.34
ruf. -0.69
dom. -0.10
bre. -0.29
HIS chainID: B,
resSeq: 30,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 508.0 Å3
d(Fe-oop): 0.010 Å
HIS chainID: B, resSeq: 70,
molecule: Eight-heme nitrite reductase
4q5c-B-608
sad. -0.04
ruf. -0.61
dom. -0.16
bre. -0.40
HIS chainID: B,
resSeq: 18,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 431.0 Å3
d(Fe-oop): 0.010 Å
HIS chainID: B, resSeq: 44,
molecule: Eight-heme nitrite reductase