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PyDISH No: 05037

PDB: 3a51,
chainID: D, resSeq: 412
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.0 Å

axial ligand #1: CYS

chainID: D,
resSeq: 347,
Coordination distance[Å]: 2.368
molecule: Vitamin D hydroxylase
Organism: Pseudonocardia autotrophica

axial ligand #2: VDY

chainID: D,
resSeq: 6178,
Coordination distance[Å]: 2.576
molecule: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL

List of other hemes in pdb:3a51

ID of heme Distortion Axial ligands on heme Function & structure
3a51-A-412
sad. -0.20
ruf. -0.48
dom. -0.03
bre. -0.37
CYS chainID: A,
resSeq: 347,
molecule: Vitamin D hydroxylase
oxidoreductase
oligomeric count: 1
pocket vol.: 398.0 Å3
d(Fe-oop): 0.190 Å
VDY chainID: A, resSeq: 6178,
molecule: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL
3a51-B-412
sad. -0.17
ruf. -0.41
dom. -0.01
bre. -0.37
CYS chainID: B,
resSeq: 347,
molecule: Vitamin D hydroxylase
oxidoreductase
oligomeric count: 1
pocket vol.: 395.0 Å3
d(Fe-oop): 0.177 Å
VDY chainID: B, resSeq: 6178,
molecule: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL
3a51-C-412
sad. -0.28
ruf. -0.39
dom. -0.11
bre. -0.23
CYS chainID: C,
resSeq: 347,
molecule: Vitamin D hydroxylase
oxidoreductase
oligomeric count: 1
pocket vol.: 405.0 Å3
d(Fe-oop): 0.141 Å
VDY chainID: C, resSeq: 6178,
molecule: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL
3a51-E-412
sad. -0.25
ruf. -0.41
dom. -0.09
bre. -0.29
CYS chainID: E,
resSeq: 347,
molecule: Vitamin D hydroxylase
oxidoreductase
oligomeric count: 1
pocket vol.: 388.0 Å3
d(Fe-oop): 0.184 Å
VDY chainID: E, resSeq: 6178,
molecule: 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL