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PyDISH No: 07980

PDB: 4bmm,
chainID: A, resSeq: 1450
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.84 Å

axial ligand #1: CYS

chainID: A,
resSeq: 422,
Coordination distance[Å]: 2.039
molecule: STEROL 14-ALPHA DEMETHYLASE
EC number: 1.14.13.70
Organism: TRYPANOSOMA CRUZI

axial ligand #2: TU1

chainID: A,
resSeq: 1460,
Coordination distance[Å]: 2.116
molecule: 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide

List of other hemes in pdb:4bmm

ID of heme	Distortion	Axial ligands on heme		Function & structure
4bmm-B-1450	`sad. +0.00 ruf. -0.93 dom. +0.00 bre. +0.10`	CYS	chainID: B, resSeq: 422, molecule: STEROL 14-ALPHA DEMETHYLASE	oxidoreductase oligomeric count: 2 pocket vol.: 453.0 Å³ d(Fe-oop): 0.001 Å
4bmm-B-1450	`sad. +0.00 ruf. -0.93 dom. +0.00 bre. +0.10`	TU1	chainID: B, resSeq: 1460, molecule: 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide
4bmm-C-1450	`sad. +0.06 ruf. -0.24 dom. +0.01 bre. +0.01`	CYS	chainID: C, resSeq: 422, molecule: STEROL 14-ALPHA DEMETHYLASE	oxidoreductase oligomeric count: 2 pocket vol.: 487.0 Å³ d(Fe-oop): 0.003 Å
4bmm-C-1450	`sad. +0.06 ruf. -0.24 dom. +0.01 bre. +0.01`	TU1	chainID: C, resSeq: 1460, molecule: 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide
4bmm-D-1450	`sad. +0.00 ruf. -0.66 dom. -0.04 bre. +0.07`	CYS	chainID: D, resSeq: 422, molecule: STEROL 14-ALPHA DEMETHYLASE	oxidoreductase oligomeric count: 2 pocket vol.: 474.0 Å³ d(Fe-oop): 0.005 Å
4bmm-D-1450	`sad. +0.00 ruf. -0.66 dom. -0.04 bre. +0.07`	TU1	chainID: D, resSeq: 1460, molecule: 4-[2,5-bis(fluoranyl)phenyl]-2-fluoranyl-N-[(2R)-3-(1H-indol-3-yl)-1-oxidanylidene-1-(pyridin-4-ylamino)propan-2-yl]benzamide