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PyDISH No: 11869

PDB: 5xa3,
chainID: B, resSeq: 501
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.2 Å
origomeric count: 1

axial ligand #1: CYS

chainID: B,
resSeq: 400,
Coordination distance[Å]: 2.394
molecule: Bifunctional cytochrome P450/NADPH-P450 reductase
EC number: 1.14.14.1,1.6.2.4
Organism: Bacillus megaterium (strain ATCC 14581 / DSM 32 / JCM 2506 / NBRC 15308 / NCIMB 9376 / NCTC 10342 / VKM B-512)

axial ligand #2: DMS

chainID: B,
resSeq: 502,
Coordination distance[Å]: 2.683
molecule: DIMETHYL SULFOXIDE

List of other hemes in pdb:5xa3

ID of heme Distortion Axial ligands on heme Function & structure
5xa3-A-501
sad. -0.05
ruf. -0.21
dom. +0.07
bre. -0.09
CYS chainID: A,
resSeq: 400,
molecule: Bifunctional cytochrome P450/NADPH-P450 reductase
oxidoreductase
oligomeric count: 1
pocket vol.: 424.0 Å3
d(Fe-oop): 0.004 Å
DMS chainID: A, resSeq: 502,
molecule: DIMETHYL SULFOXIDE
5xa3-C-501
sad. -0.06
ruf. -0.23
dom. +0.10
bre. -0.09
CYS chainID: C,
resSeq: 400,
molecule: Bifunctional cytochrome P450/NADPH-P450 reductase
oxidoreductase
oligomeric count: 1
pocket vol.: 425.0 Å3
d(Fe-oop): 0.007 Å
DMS chainID: C, resSeq: 502,
molecule: DIMETHYL SULFOXIDE
5xa3-D-501
sad. -0.07
ruf. -0.22
dom. +0.09
bre. -0.10
CYS chainID: D,
resSeq: 400,
molecule: Bifunctional cytochrome P450/NADPH-P450 reductase
oxidoreductase
oligomeric count: 1
pocket vol.: 431.0 Å3
d(Fe-oop): 0.005 Å
DMS chainID: D, resSeq: 502,
molecule: DIMETHYL SULFOXIDE