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PyDISH No: 09426

PDB: 4q0t,
chainID: A, resSeq: 606
heme type: C

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.7 Å

axial ligand #1: HIS

chainID: A,
resSeq: 39,
Coordination distance[Å]: 1.928
molecule: Eight-heme nitrite reductase
Organism: Thioalkalivibrio nitratireducens

axial ligand #2: HIS

chainID: A,
resSeq: 234,
Coordination distance[Å]: 1.947
molecule: same as ligand #1

List of other hemes in pdb:4q0t

ID of heme Distortion Axial ligands on heme Function & structure
4q0t-A-601
sad. +0.52
ruf. -0.56
dom. +0.09
bre. -0.33
LYS chainID: A,
resSeq: 188,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 406.0 Å3
d(Fe-oop): 0.009 Å
HOH chainID: A, resSeq: 701,
molecule: water
4q0t-A-602
sad. +1.06
ruf. -0.51
dom. -0.10
bre. -0.23
HIS chainID: A,
resSeq: 231,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 466.0 Å3
d(Fe-oop): 0.026 Å
HIS chainID: A, resSeq: 398,
molecule: Eight-heme nitrite reductase
4q0t-A-603
sad. -0.21
ruf. -0.95
dom. +0.10
bre. -0.31
HIS chainID: A,
resSeq: 119,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 437.0 Å3
d(Fe-oop): 0.007 Å
HIS chainID: A, resSeq: 300,
molecule: Eight-heme nitrite reductase
4q0t-A-604
sad. +0.70
ruf. -0.90
dom. -0.22
bre. -0.24
HIS chainID: A,
resSeq: 383,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 419.0 Å3
d(Fe-oop): 0.004 Å
HIS chainID: A, resSeq: 491,
molecule: Eight-heme nitrite reductase
4q0t-A-605
sad. -0.37
ruf. -1.22
dom. +0.03
bre. -0.51
HIS chainID: A,
resSeq: 372,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 481.0 Å3
d(Fe-oop): 0.011 Å
HIS chainID: A, resSeq: 415,
molecule: Eight-heme nitrite reductase
4q0t-A-607
sad. +0.29
ruf. -0.70
dom. -0.10
bre. -0.29
HIS chainID: A,
resSeq: 30,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 506.0 Å3
d(Fe-oop): 0.014 Å
HIS chainID: A, resSeq: 70,
molecule: Eight-heme nitrite reductase
4q0t-A-608
sad. +0.04
ruf. -0.54
dom. -0.15
bre. -0.41
HIS chainID: A,
resSeq: 18,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 438.0 Å3
d(Fe-oop): 0.007 Å
HIS chainID: A, resSeq: 44,
molecule: Eight-heme nitrite reductase
4q0t-B-601
sad. +0.51
ruf. -0.52
dom. +0.08
bre. -0.30
LYS chainID: B,
resSeq: 188,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 417.0 Å3
d(Fe-oop): 0.002 Å
HOH chainID: B, resSeq: 701,
molecule: water
4q0t-B-602
sad. +1.09
ruf. -0.47
dom. -0.11
bre. -0.21
HIS chainID: B,
resSeq: 231,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 487.0 Å3
d(Fe-oop): 0.027 Å
HIS chainID: B, resSeq: 398,
molecule: Eight-heme nitrite reductase
4q0t-B-603
sad. -0.25
ruf. -0.93
dom. +0.11
bre. -0.22
HIS chainID: B,
resSeq: 119,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 424.0 Å3
d(Fe-oop): 0.011 Å
HIS chainID: B, resSeq: 300,
molecule: Eight-heme nitrite reductase
4q0t-B-604
sad. +0.72
ruf. -0.87
dom. -0.19
bre. -0.27
HIS chainID: B,
resSeq: 383,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 436.0 Å3
d(Fe-oop): 0.009 Å
HIS chainID: B, resSeq: 491,
molecule: Eight-heme nitrite reductase
4q0t-B-605
sad. -0.37
ruf. -1.27
dom. -0.04
bre. -0.46
HIS chainID: B,
resSeq: 372,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 476.0 Å3
d(Fe-oop): 0.012 Å
HIS chainID: B, resSeq: 415,
molecule: Eight-heme nitrite reductase
4q0t-B-606
sad. -0.10
ruf. -0.55
dom. -0.11
bre. -0.36
HIS chainID: B,
resSeq: 39,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 368.0 Å3
d(Fe-oop): 0.012 Å
HIS chainID: B, resSeq: 234,
molecule: Eight-heme nitrite reductase
4q0t-B-607
sad. +0.29
ruf. -0.68
dom. -0.11
bre. -0.29
HIS chainID: B,
resSeq: 30,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 506.0 Å3
d(Fe-oop): 0.008 Å
HIS chainID: B, resSeq: 70,
molecule: Eight-heme nitrite reductase
4q0t-B-608
sad. -0.11
ruf. -0.47
dom. -0.15
bre. -0.42
HIS chainID: B,
resSeq: 18,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 431.0 Å3
d(Fe-oop): 0.004 Å
HIS chainID: B, resSeq: 44,
molecule: Eight-heme nitrite reductase