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PyDISH No: 12075

PDB: 6adq,
chainID: R, resSeq: 602
heme type: A

distortion

Protein data

function: oxidoreductase
experiment: ELECTRON MICROSCOPY
resolution: 3.5 Å

axial ligand #1: HIS

chainID: R,
resSeq: 86,
Coordination distance[Å]: 2.641
molecule: Cytochrome c oxidase subunit 1
EC number: 1.9.3.1
Organism: Mycobacterium smegmatis MC2 51

axial ligand #2: HIS

chainID: R,
resSeq: 399,
Coordination distance[Å]: 2.798
molecule: same as ligand #1

List of other hemes in pdb:6adq

ID of heme Distortion Axial ligands on heme Function & structure
6adq-F-601
sad. +0.04
ruf. -0.34
dom. +0.95
bre. +0.22
HIS chainID: F,
resSeq: 397,
molecule: Cytochrome c oxidase subunit 1
oxidoreductase
oligomeric count: 24
pocket vol.: 688.0 Å3
d(Fe-oop): 0.458 Å
Not assigned.
6adq-F-602
sad. -0.12
ruf. +2.86
dom. +0.77
bre. +0.81
HIS chainID: F,
resSeq: 86,
molecule: Cytochrome c oxidase subunit 1
oxidoreductase
oligomeric count: 24
pocket vol.: 646.0 Å3
d(Fe-oop): 0.429 Å
HIS chainID: F, resSeq: 399,
molecule: Cytochrome c oxidase subunit 1
6adq-B-601
sad. -1.10
ruf. -1.48
dom. -0.23
bre. +0.35
HIS chainID: B,
resSeq: 123,
molecule: Ubiquinol-cytochrome c reductase cytochrome b subunit
translocase
oligomeric count: 24
pocket vol.: 351.0 Å3
d(Fe-oop): 0.244 Å
HIS chainID: B, resSeq: 226,
molecule: Ubiquinol-cytochrome c reductase cytochrome b subunit
6adq-B-602
sad. -0.56
ruf. +0.06
dom. -0.05
bre. +0.06
HIS chainID: B,
resSeq: 109,
molecule: Ubiquinol-cytochrome c reductase cytochrome b subunit
translocase
oligomeric count: 24
pocket vol.: 366.0 Å3
d(Fe-oop): 0.118 Å
HIS chainID: B, resSeq: 211,
molecule: Ubiquinol-cytochrome c reductase cytochrome b subunit
6adq-C-301
sad. -0.17
ruf. -0.90
dom. +0.68
bre. +0.08
HIS chainID: C,
resSeq: 91,
molecule: Cytochrome bc1 complex cytochrome c subunit
oxidoreductase
oligomeric count: 24
pocket vol.: 436.0 Å3
d(Fe-oop): 0.317 Å
Not assigned.
6adq-C-302
sad. +0.77
ruf. -1.23
dom. +0.24
bre. +0.11
HIS chainID: C,
resSeq: 192,
molecule: Cytochrome bc1 complex cytochrome c subunit
oxidoreductase
oligomeric count: 24
pocket vol.: 386.0 Å3
d(Fe-oop): 0.263 Å
MET chainID: C, resSeq: 229,
molecule: Cytochrome bc1 complex cytochrome c subunit
6adq-R-601
sad. +0.04
ruf. -0.33
dom. +0.95
bre. +0.22
HIS chainID: R,
resSeq: 397,
molecule: Cytochrome c oxidase subunit 1
oxidoreductase
oligomeric count: 24
pocket vol.: 710.0 Å3
d(Fe-oop): 0.459 Å
Not assigned.
6adq-N-602
sad. -1.09
ruf. -1.49
dom. -0.23
bre. +0.36
HIS chainID: N,
resSeq: 123,
molecule: Ubiquinol-cytochrome c reductase cytochrome b subunit
translocase
oligomeric count: 24
pocket vol.: 352.0 Å3
d(Fe-oop): 0.247 Å
HIS chainID: N, resSeq: 226,
molecule: Ubiquinol-cytochrome c reductase cytochrome b subunit
6adq-N-603
sad. -0.56
ruf. +0.06
dom. -0.04
bre. +0.05
HIS chainID: N,
resSeq: 109,
molecule: Ubiquinol-cytochrome c reductase cytochrome b subunit
translocase
oligomeric count: 24
pocket vol.: 357.0 Å3
d(Fe-oop): 0.119 Å
HIS chainID: N, resSeq: 211,
molecule: Ubiquinol-cytochrome c reductase cytochrome b subunit
6adq-O-301
sad. -0.16
ruf. -0.90
dom. +0.68
bre. +0.08
HIS chainID: O,
resSeq: 91,
molecule: Cytochrome bc1 complex cytochrome c subunit
oxidoreductase
oligomeric count: 24
pocket vol.: 439.0 Å3
d(Fe-oop): 0.316 Å
Not assigned.
6adq-O-302
sad. +0.77
ruf. -1.23
dom. +0.24
bre. +0.11
HIS chainID: O,
resSeq: 192,
molecule: Cytochrome bc1 complex cytochrome c subunit
oxidoreductase
oligomeric count: 24
pocket vol.: 370.0 Å3
d(Fe-oop): 0.263 Å
MET chainID: O, resSeq: 229,
molecule: Cytochrome bc1 complex cytochrome c subunit