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PyDISH No: 05755

PDB: 3gw9,
chainID: A, resSeq: 480
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 1.87 Å

axial ligand #1: CYS

chainID: A,
resSeq: 422,
Coordination distance[Å]: 2.39
molecule: STEROL 14ALPHA-DEMETHYLASE
EC number: 1.14.13.70
Organism: Trypanosoma brucei

axial ligand #2: VNI

chainID: A,
resSeq: 490,
Coordination distance[Å]: 2.028
molecule: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

List of other hemes in pdb:3gw9

ID of heme	Distortion	Axial ligands on heme		Function & structure
3gw9-B-480	`sad. -0.10 ruf. -0.71 dom. -0.21 bre. +0.02`	CYS	chainID: B, resSeq: 422, molecule: STEROL 14ALPHA-DEMETHYLASE	oxidoreductase oligomeric count: 1 pocket vol.: 428.0 Å³ d(Fe-oop): 0.020 Å
3gw9-B-480	`sad. -0.10 ruf. -0.71 dom. -0.21 bre. +0.02`	VNI	chainID: B, resSeq: 490, molecule: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
3gw9-C-480	`sad. -0.07 ruf. -0.80 dom. -0.17 bre. +0.09`	CYS	chainID: C, resSeq: 422, molecule: STEROL 14ALPHA-DEMETHYLASE	oxidoreductase oligomeric count: 1 pocket vol.: 417.0 Å³ d(Fe-oop): 0.036 Å
3gw9-C-480	`sad. -0.07 ruf. -0.80 dom. -0.17 bre. +0.09`	VNI	chainID: C, resSeq: 490, molecule: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
3gw9-D-480	`sad. -0.10 ruf. -0.70 dom. -0.15 bre. +0.36`	CYS	chainID: D, resSeq: 422, molecule: STEROL 14ALPHA-DEMETHYLASE	oxidoreductase oligomeric count: 1 pocket vol.: 441.0 Å³ d(Fe-oop): 0.014 Å
3gw9-D-480	`sad. -0.10 ruf. -0.70 dom. -0.15 bre. +0.36`	VNI	chainID: D, resSeq: 490, molecule: N-[(1R)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide