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PyDISH No: 07249

PDB: 3tbg,
chainID: A, resSeq: 800
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.1 Å

axial ligand #1: CYS

chainID: A,
resSeq: 443,
Coordination distance[Å]: 2.388
molecule: Cytochrome P450 2D6
EC number: 1.14.14.1
Organism: Homo sapiens

axial ligand #2: HOH

chainID: A,
resSeq: 614,
Coordination distance[Å]: 2.67
molecule: water

List of other hemes in pdb:3tbg

ID of heme Distortion Axial ligands on heme Function & structure
3tbg-B-800
sad. -0.16
ruf. -0.23
dom. -0.05
bre. -0.11
CYS chainID: B,
resSeq: 443,
molecule: Cytochrome P450 2D6
oxidoreductase
oligomeric count: 1
pocket vol.: 384.0 Å3
d(Fe-oop): 0.104 Å
HOH chainID: B, resSeq: 589,
molecule: water
3tbg-C-800
sad. -0.21
ruf. -0.18
dom. -0.13
bre. -0.12
CYS chainID: C,
resSeq: 443,
molecule: Cytochrome P450 2D6
oxidoreductase
oligomeric count: 1
pocket vol.: 388.0 Å3
d(Fe-oop): 0.091 Å
HOH chainID: C, resSeq: 608,
molecule: water
3tbg-D-800
sad. -0.18
ruf. -0.23
dom. -0.14
bre. -0.11
CYS chainID: D,
resSeq: 443,
molecule: Cytochrome P450 2D6
oxidoreductase
oligomeric count: 1
pocket vol.: 402.0 Å3
d(Fe-oop): 0.086 Å
Not assigned.