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PyDISH No: 08503

PDB: 4g7g,
chainID: C, resSeq: 501
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.05 Å

axial ligand #1: CYS

chainID: C,
resSeq: 422,
Coordination distance[Å]: 2.319
molecule: sterol 14-alpha-demethylase
EC number: 1.14.13.70
Organism: Trypanosoma brucei

axial ligand #2: VFV

chainID: C,
resSeq: 502,
Coordination distance[Å]: 2.014
molecule: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

List of other hemes in pdb:4g7g

ID of heme Distortion Axial ligands on heme Function & structure
4g7g-A-501
 sad. -0.03
ruf. -0.55
dom. -0.19
bre. -0.41
 CYS chainID: A,
resSeq: 422,
molecule: sterol 14-alpha-demethylase		 oxidoreductase
oligomeric count: 1
pocket vol.: 454.0 Å3
d(Fe-oop): 0.131 Å
VFV chainID: A, resSeq: 502,
molecule: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
4g7g-B-501
 sad. -0.11
ruf. -0.80
dom. -0.09
bre. -0.38
 CYS chainID: B,
resSeq: 422,
molecule: sterol 14-alpha-demethylase		 oxidoreductase
oligomeric count: 1
pocket vol.: 468.0 Å3
d(Fe-oop): 0.258 Å
VFV chainID: B, resSeq: 502,
molecule: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
4g7g-D-501
 sad. -0.09
ruf. -0.66
dom. -0.11
bre. -0.43
 CYS chainID: D,
resSeq: 422,
molecule: sterol 14-alpha-demethylase		 oxidoreductase
oligomeric count: 1
pocket vol.: 458.0 Å3
d(Fe-oop): 0.035 Å
VFV chainID: D, resSeq: 502,
molecule: N-[(1R)-1-(3,4'-difluorobiphenyl-4-yl)-2-(1H-imidazol-1-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide