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PyDISH No: 05035

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

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.0 Å
origomeric count: 1

axial ligand #1: CYS

chainID: B,
resSeq: 347,
Coordination distance[Å]: 2.141
molecule: Vitamin D hydroxylase
Organism: Pseudonocardia autotrophica

axial ligand #2: VDY

chainID: B,
resSeq: 6178,
Coordination distance[Å]: 2.422
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
3a51-A-412	`sad. -0.20 ruf. -0.48 dom. -0.03 bre. -0.37`	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-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
3a51-C-412	`sad. -0.28 ruf. -0.39 dom. -0.11 bre. -0.23`	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-D-412	`sad. -0.19 ruf. -0.42 dom. -0.08 bre. -0.26`	CYS	chainID: D, resSeq: 347, molecule: Vitamin D hydroxylase	oxidoreductase oligomeric count: 1 pocket vol.: 386.0 Å³ d(Fe-oop): 0.205 Å
3a51-D-412	`sad. -0.19 ruf. -0.42 dom. -0.08 bre. -0.26`	VDY	chainID: D, 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
3a51-E-412	`sad. -0.25 ruf. -0.41 dom. -0.09 bre. -0.29`	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