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PyDISH No: 09484

PDB: 4q4u,
chainID: B, resSeq: 608
heme type: C

distortion

Protein data

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

axial ligand #1: HIS

chainID: B,
resSeq: 18,
Coordination distance[Å]: 1.904
molecule: Eight-heme nitrite reductase
Organism: Thioalkalivibrio nitratireducens

axial ligand #2: HIS

chainID: B,
resSeq: 44,
Coordination distance[Å]: 1.936
molecule: same as ligand #1

List of other hemes in pdb:4q4u

ID of heme Distortion Axial ligands on heme Function & structure
4q4u-A-601
sad. +0.54
ruf. -0.65
dom. +0.04
bre. -0.29
LYS chainID: A,
resSeq: 188,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 419.0 Å3
d(Fe-oop): 0.005 Å
SO3 chainID: A, resSeq: 609,
molecule: SULFITE ION
4q4u-A-602
sad. +1.03
ruf. -0.47
dom. -0.15
bre. -0.24
HIS chainID: A,
resSeq: 231,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 492.0 Å3
d(Fe-oop): 0.008 Å
HIS chainID: A, resSeq: 398,
molecule: Eight-heme nitrite reductase
4q4u-A-603
sad. -0.24
ruf. -0.90
dom. +0.11
bre. -0.26
HIS chainID: A,
resSeq: 119,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 421.0 Å3
d(Fe-oop): 0.007 Å
HIS chainID: A, resSeq: 300,
molecule: Eight-heme nitrite reductase
4q4u-A-604
sad. +0.68
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.: 435.0 Å3
d(Fe-oop): 0.018 Å
HIS chainID: A, resSeq: 491,
molecule: Eight-heme nitrite reductase
4q4u-A-605
sad. -0.25
ruf. -1.25
dom. +0.05
bre. -0.31
HIS chainID: A,
resSeq: 372,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 537.0 Å3
d(Fe-oop): 0.006 Å
HIS chainID: A, resSeq: 415,
molecule: Eight-heme nitrite reductase
4q4u-A-606
sad. -0.12
ruf. -0.51
dom. -0.10
bre. -0.37
HIS chainID: A,
resSeq: 39,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 357.0 Å3
d(Fe-oop): 0.011 Å
HIS chainID: A, resSeq: 234,
molecule: Eight-heme nitrite reductase
4q4u-A-607
sad. +0.32
ruf. -0.74
dom. -0.08
bre. -0.30
HIS chainID: A,
resSeq: 30,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 501.0 Å3
d(Fe-oop): 0.012 Å
HIS chainID: A, resSeq: 70,
molecule: Eight-heme nitrite reductase
4q4u-A-608
sad. +0.06
ruf. -0.56
dom. -0.15
bre. -0.39
HIS chainID: A,
resSeq: 18,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 430.0 Å3
d(Fe-oop): 0.015 Å
HIS chainID: A, resSeq: 44,
molecule: Eight-heme nitrite reductase
4q4u-B-601
sad. +0.52
ruf. -0.60
dom. +0.01
bre. -0.31
LYS chainID: B,
resSeq: 188,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 406.0 Å3
d(Fe-oop): 0.005 Å
SO3 chainID: B, resSeq: 609,
molecule: SULFITE ION
4q4u-B-602
sad. +1.10
ruf. -0.46
dom. -0.11
bre. -0.22
HIS chainID: B,
resSeq: 231,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 486.0 Å3
d(Fe-oop): 0.022 Å
HIS chainID: B, resSeq: 398,
molecule: Eight-heme nitrite reductase
4q4u-B-603
sad. -0.27
ruf. -0.88
dom. +0.12
bre. -0.21
HIS chainID: B,
resSeq: 119,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 405.0 Å3
d(Fe-oop): 0.012 Å
HIS chainID: B, resSeq: 300,
molecule: Eight-heme nitrite reductase
4q4u-B-604
sad. +0.71
ruf. -0.86
dom. -0.19
bre. -0.22
HIS chainID: B,
resSeq: 383,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 425.0 Å3
d(Fe-oop): 0.017 Å
HIS chainID: B, resSeq: 491,
molecule: Eight-heme nitrite reductase
4q4u-B-605
sad. -0.26
ruf. -1.27
dom. +0.02
bre. -0.25
HIS chainID: B,
resSeq: 372,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 521.0 Å3
d(Fe-oop): 0.002 Å
HIS chainID: B, resSeq: 415,
molecule: Eight-heme nitrite reductase
4q4u-B-606
sad. -0.11
ruf. -0.55
dom. -0.09
bre. -0.39
HIS chainID: B,
resSeq: 39,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 383.0 Å3
d(Fe-oop): 0.012 Å
HIS chainID: B, resSeq: 234,
molecule: Eight-heme nitrite reductase
4q4u-B-607
sad. +0.33
ruf. -0.71
dom. -0.10
bre. -0.31
HIS chainID: B,
resSeq: 30,
molecule: Eight-heme nitrite reductase
oxidoreductase
oligomeric count: 6
pocket vol.: 500.0 Å3
d(Fe-oop): 0.008 Å
HIS chainID: B, resSeq: 70,
molecule: Eight-heme nitrite reductase