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PyDISH No: 15772

PDB: 7rtq,
chainID: A, resSeq: 501
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.11 Å

axial ligand #1: CYS

chainID: A,
resSeq: 430,
Coordination distance[Å]: 2.283
molecule: Protein CYP51
Organism: Naegleria fowleri

axial ligand #2: 7PW

chainID: A,
resSeq: 502,
Coordination distance[Å]: 2.032
molecule: N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

List of other hemes in pdb:7rtq

ID of heme	Distortion	Axial ligands on heme		Function & structure
7rtq-B-501	`sad. -0.17 ruf. -0.38 dom. +0.01 bre. +0.00`	CYS	chainID: B, resSeq: 430, molecule: Protein CYP51	oxidoreductase oligomeric count: 1 pocket vol.: 465.0 Å³ d(Fe-oop): 0.043 Å
7rtq-B-501	`sad. -0.17 ruf. -0.38 dom. +0.01 bre. +0.00`	7PW	chainID: B, resSeq: 502, molecule: N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
7rtq-C-501	`sad. -0.26 ruf. -0.29 dom. +0.08 bre. +0.00`	CYS	chainID: C, resSeq: 430, molecule: Protein CYP51	oxidoreductase oligomeric count: 1 pocket vol.: 478.0 Å³ d(Fe-oop): 0.045 Å
7rtq-C-501	`sad. -0.26 ruf. -0.29 dom. +0.08 bre. +0.00`	7PW	chainID: C, resSeq: 502, molecule: N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
7rtq-D-501	`sad. -0.17 ruf. -0.36 dom. +0.01 bre. -0.00`	CYS	chainID: D, resSeq: 430, molecule: Protein CYP51	oxidoreductase oligomeric count: 1 pocket vol.: 456.0 Å³ d(Fe-oop): 0.042 Å
7rtq-D-501	`sad. -0.17 ruf. -0.36 dom. +0.01 bre. -0.00`	7PW	chainID: D, resSeq: 502, molecule: N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide