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PyDISH No: 08484

PDB: 4g3j,
chainID: B, resSeq: 501
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.83 Å

axial ligand #1: CYS

chainID: B,
resSeq: 422,
Coordination distance[Å]: 2.371
molecule: sterol 14-alpha-demethylase
EC number: 1.14.13.70
Organism: Trypanosoma brucei

axial ligand #2: VNT

chainID: B,
resSeq: 502,
Coordination distance[Å]: 2.076
molecule: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

List of other hemes in pdb:4g3j

ID of heme	Distortion	Axial ligands on heme		Function & structure
4g3j-A-501	`sad. -0.07 ruf. -0.71 dom. -0.12 bre. -0.15`	CYS	chainID: A, resSeq: 422, molecule: sterol 14-alpha-demethylase	oxidoreductase oligomeric count: 1 pocket vol.: 435.0 Å³ d(Fe-oop): 0.007 Å
4g3j-A-501	`sad. -0.07 ruf. -0.71 dom. -0.12 bre. -0.15`	VNT	chainID: A, resSeq: 502, molecule: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
4g3j-C-501	`sad. -0.16 ruf. -0.67 dom. -0.17 bre. -0.14`	CYS	chainID: C, resSeq: 422, molecule: sterol 14-alpha-demethylase	oxidoreductase oligomeric count: 1 pocket vol.: 441.0 Å³ d(Fe-oop): 0.048 Å
4g3j-C-501	`sad. -0.16 ruf. -0.67 dom. -0.17 bre. -0.14`	VNT	chainID: C, resSeq: 502, molecule: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
4g3j-D-501	`sad. -0.12 ruf. -0.56 dom. -0.12 bre. -0.16`	CYS	chainID: D, resSeq: 422, molecule: sterol 14-alpha-demethylase	oxidoreductase oligomeric count: 1 pocket vol.: 421.0 Å³ d(Fe-oop): 0.009 Å
4g3j-D-501	`sad. -0.12 ruf. -0.56 dom. -0.12 bre. -0.16`	VNT	chainID: D, resSeq: 502, molecule: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide