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PyDISH No: 06947

PDB: 3qu8,
chainID: E, resSeq: 500
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.8 Å

axial ligand #1: CYS

chainID: E,
resSeq: 436,
Coordination distance[Å]: 2.345
molecule: Cytochrome P450 2B6
EC number: 1.14.14.1
Organism: Homo sapiens

axial ligand #2: 3QU

chainID: E,
resSeq: 501,
Coordination distance[Å]: 2.278
molecule: 4-(4-nitrobenzyl)pyridine

List of other hemes in pdb:3qu8

ID of heme Distortion Axial ligands on heme Function & structure
3qu8-A-500
sad. -0.13
ruf. -0.32
dom. -0.02
bre. -0.24
CYS chainID: A,
resSeq: 436,
molecule: Cytochrome P450 2B6
oxidoreductase
oligomeric count: 1
pocket vol.: 389.0 Å3
d(Fe-oop): 0.001 Å
3QU chainID: A, resSeq: 501,
molecule: 4-(4-nitrobenzyl)pyridine
3qu8-B-500
sad. -0.15
ruf. -0.24
dom. +0.18
bre. -0.01
CYS chainID: B,
resSeq: 436,
molecule: Cytochrome P450 2B6
oxidoreductase
oligomeric count: 1
pocket vol.: 402.0 Å3
d(Fe-oop): 0.048 Å
3QU chainID: B, resSeq: 501,
molecule: 4-(4-nitrobenzyl)pyridine
3qu8-C-500
sad. -0.07
ruf. -0.10
dom. +0.14
bre. +0.74
CYS chainID: C,
resSeq: 436,
molecule: Cytochrome P450 2B6
oxidoreductase
oligomeric count: 1
pocket vol.: 391.0 Å3
d(Fe-oop): 0.030 Å
3QU chainID: C, resSeq: 501,
molecule: 4-(4-nitrobenzyl)pyridine
3qu8-D-500
sad. -0.23
ruf. -0.23
dom. -0.15
bre. -0.24
CYS chainID: D,
resSeq: 436,
molecule: Cytochrome P450 2B6
oxidoreductase
oligomeric count: 1
pocket vol.: 399.0 Å3
d(Fe-oop): 0.002 Å
3QU chainID: D, resSeq: 501,
molecule: 4-(4-nitrobenzyl)pyridine
3qu8-F-500
sad. +0.16
ruf. -0.30
dom. +0.14
bre. -0.24
CYS chainID: F,
resSeq: 436,
molecule: Cytochrome P450 2B6
oxidoreductase
oligomeric count: 1
pocket vol.: 384.0 Å3
d(Fe-oop): 0.001 Å
Not assigned.