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PyDISH No: 09497

PDB: 4q5b,
chainID: B, resSeq: 605
heme type: C

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.8 Å

axial ligand #1: HIS

chainID: B,
resSeq: 372,
Coordination distance[Å]: 1.939
molecule: Eight-heme nitrite reductase
Organism: Thioalkalivibrio nitratireducens

axial ligand #2: HIS

chainID: B,
resSeq: 415,
Coordination distance[Å]: 1.932
molecule: same as ligand #1

List of other hemes in pdb:4q5b

ID of heme Distortion Axial ligands on heme Function & structure
4q5b-A-601
sad. +0.56
ruf. -0.69
dom. -0.01
bre. -0.36
LYS chainID: A,
resSeq: 188,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 441.0 Å3
d(Fe-oop): 0.006 Å
SO3 chainID: A, resSeq: 609,
molecule: SULFITE ION
4q5b-A-602
sad. +0.97
ruf. -0.49
dom. -0.16
bre. -0.23
HIS chainID: A,
resSeq: 231,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 507.0 Å3
d(Fe-oop): 0.009 Å
HIS chainID: A, resSeq: 398,
molecule: Eight-heme nitrite reductase
4q5b-A-603
sad. -0.22
ruf. -0.86
dom. +0.13
bre. -0.29
HIS chainID: A,
resSeq: 119,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 418.0 Å3
d(Fe-oop): 0.007 Å
HIS chainID: A, resSeq: 300,
molecule: Eight-heme nitrite reductase
4q5b-A-604
sad. +0.68
ruf. -0.90
dom. -0.19
bre. -0.29
HIS chainID: A,
resSeq: 383,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 431.0 Å3
d(Fe-oop): 0.010 Å
HIS chainID: A, resSeq: 491,
molecule: Eight-heme nitrite reductase
4q5b-A-605
sad. -0.33
ruf. -1.17
dom. +0.04
bre. -0.36
HIS chainID: A,
resSeq: 372,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 561.0 Å3
d(Fe-oop): 0.004 Å
HIS chainID: A, resSeq: 415,
molecule: Eight-heme nitrite reductase
4q5b-A-606
sad. -0.12
ruf. -0.51
dom. -0.11
bre. -0.40
HIS chainID: A,
resSeq: 39,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 357.0 Å3
d(Fe-oop): 0.013 Å
HIS chainID: A, resSeq: 234,
molecule: Eight-heme nitrite reductase
4q5b-A-607
sad. +0.35
ruf. -0.76
dom. -0.09
bre. -0.31
HIS chainID: A,
resSeq: 30,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 510.0 Å3
d(Fe-oop): 0.006 Å
HIS chainID: A, resSeq: 70,
molecule: Eight-heme nitrite reductase
4q5b-A-608
sad. +0.04
ruf. -0.60
dom. -0.12
bre. -0.43
HIS chainID: A,
resSeq: 18,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 427.0 Å3
d(Fe-oop): 0.014 Å
HIS chainID: A, resSeq: 44,
molecule: Eight-heme nitrite reductase
4q5b-B-601
sad. +0.58
ruf. -0.68
dom. -0.02
bre. -0.33
LYS chainID: B,
resSeq: 188,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 419.0 Å3
d(Fe-oop): 0.005 Å
SO3 chainID: B, resSeq: 609,
molecule: SULFITE ION
4q5b-B-602
sad. +1.05
ruf. -0.49
dom. -0.13
bre. -0.22
HIS chainID: B,
resSeq: 231,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 507.0 Å3
d(Fe-oop): 0.009 Å
HIS chainID: B, resSeq: 398,
molecule: Eight-heme nitrite reductase
4q5b-B-603
sad. -0.26
ruf. -0.86
dom. +0.14
bre. -0.26
HIS chainID: B,
resSeq: 119,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 426.0 Å3
d(Fe-oop): 0.009 Å
HIS chainID: B, resSeq: 300,
molecule: Eight-heme nitrite reductase
4q5b-B-604
sad. +0.68
ruf. -0.87
dom. -0.19
bre. -0.25
HIS chainID: B,
resSeq: 383,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 425.0 Å3
d(Fe-oop): 0.019 Å
HIS chainID: B, resSeq: 491,
molecule: Eight-heme nitrite reductase
4q5b-B-606
sad. -0.14
ruf. -0.63
dom. -0.10
bre. -0.43
HIS chainID: B,
resSeq: 39,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 376.0 Å3
d(Fe-oop): 0.013 Å
HIS chainID: B, resSeq: 234,
molecule: Eight-heme nitrite reductase
4q5b-B-607
sad. +0.36
ruf. -0.74
dom. -0.09
bre. -0.32
HIS chainID: B,
resSeq: 30,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 514.0 Å3
d(Fe-oop): 0.002 Å
HIS chainID: B, resSeq: 70,
molecule: Eight-heme nitrite reductase
4q5b-B-608
sad. -0.01
ruf. -0.63
dom. -0.11
bre. -0.44
HIS chainID: B,
resSeq: 18,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 433.0 Å3
d(Fe-oop): 0.004 Å
HIS chainID: B, resSeq: 44,
molecule: Eight-heme nitrite reductase