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PyDISH No: 08532

PDB: 4gqs,
chainID: A, resSeq: 501
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.87 Å

axial ligand #1: CYS

chainID: A,
resSeq: 435,
Coordination distance[Å]: 2.254
molecule: Cytochrome P450 2C19
EC number: 1.14.13.-, 1.14.13.80, 1.14.13.48, 1.14.13.49
Organism: Homo sapiens

axial ligand #2: HOH

chainID: A,
resSeq: 612,
Coordination distance[Å]: 2.208
molecule: water

List of other hemes in pdb:4gqs

ID of heme Distortion Axial ligands on heme Function & structure
4gqs-B-501
sad. -0.36
ruf. -0.05
dom. +0.34
bre. -0.07
CYS chainID: B,
resSeq: 435,
molecule: Cytochrome P450 2C19
oxidoreductase
oligomeric count: 1
pocket vol.: 397.0 Å3
d(Fe-oop): 0.006 Å
Not assigned.
4gqs-C-501
sad. -0.16
ruf. +0.14
dom. +0.22
bre. -0.10
CYS chainID: C,
resSeq: 435,
molecule: Cytochrome P450 2C19
oxidoreductase
oligomeric count: 1
pocket vol.: 386.0 Å3
d(Fe-oop): 0.097 Å
Not assigned.
4gqs-D-501
sad. -0.59
ruf. +0.00
dom. -0.06
bre. -0.10
CYS chainID: D,
resSeq: 435,
molecule: Cytochrome P450 2C19
oxidoreductase
oligomeric count: 1
pocket vol.: 400.0 Å3
d(Fe-oop): 0.025 Å
Not assigned.