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PyDISH No: 04206

PDB: 2pg5,
chainID: D, resSeq: 500
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.95 Å

axial ligand #1: CYS

chainID: D,
resSeq: 439,
Coordination distance[Å]: 2.301
molecule: Cytochrome P450 2A6
EC number: 1.14.14.1
Organism: Homo sapiens

axial ligand #2: HOH

chainID: D,
resSeq: 502,
Coordination distance[Å]: 2.63
molecule: water

List of other hemes in pdb:2pg5

ID of heme Distortion Axial ligands on heme Function & structure
2pg5-A-500
sad. -0.20
ruf. -0.22
dom. -0.06
bre. -0.08
CYS chainID: A,
resSeq: 439,
molecule: Cytochrome P450 2A6
oxidoreductase
oligomeric count: 1
pocket vol.: 421.0 Å3
d(Fe-oop): 0.051 Å
HOH chainID: A, resSeq: 502,
molecule: water
2pg5-B-500
sad. -0.26
ruf. -0.26
dom. -0.01
bre. -0.07
CYS chainID: B,
resSeq: 439,
molecule: Cytochrome P450 2A6
oxidoreductase
oligomeric count: 1
pocket vol.: 442.0 Å3
d(Fe-oop): 0.072 Å
HOH chainID: B, resSeq: 502,
molecule: water
2pg5-C-500
sad. -0.23
ruf. -0.12
dom. -0.01
bre. -0.07
CYS chainID: C,
resSeq: 439,
molecule: Cytochrome P450 2A6
oxidoreductase
oligomeric count: 1
pocket vol.: 428.0 Å3
d(Fe-oop): 0.047 Å
HOH chainID: C, resSeq: 502,
molecule: water