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PyDISH No: 07962

PDB: 4bjk,
chainID: D, resSeq: 1450
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.67 Å

axial ligand #1: CYS

chainID: D,
resSeq: 422,
Coordination distance[Å]: 2.387
molecule: LANOSTEROL 14-ALPHA-DEMETHYLASE
EC number: 1.14.13.70
Organism: TRYPANOSOMA BRUCEI

axial ligand #2: 18I

chainID: D,
resSeq: 1460,
Coordination distance[Å]: 2.59
molecule: 3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide

List of other hemes in pdb:4bjk

ID of heme	Distortion	Axial ligands on heme		Function & structure
4bjk-A-1450	`sad. -0.08 ruf. -0.67 dom. +0.02 bre. +0.12`	CYS	chainID: A, resSeq: 422, molecule: LANOSTEROL 14-ALPHA-DEMETHYLASE	oxidoreductase oligomeric count: 1 pocket vol.: 441.0 Å³ d(Fe-oop): 0.008 Å
4bjk-A-1450	`sad. -0.08 ruf. -0.67 dom. +0.02 bre. +0.12`	18I	chainID: A, resSeq: 1460, molecule: 3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide
4bjk-B-1450	`sad. -0.13 ruf. -0.55 dom. -0.05 bre. +0.13`	CYS	chainID: B, resSeq: 422, molecule: LANOSTEROL 14-ALPHA-DEMETHYLASE	oxidoreductase oligomeric count: 1 pocket vol.: 443.0 Å³ d(Fe-oop): 0.012 Å
4bjk-B-1450	`sad. -0.13 ruf. -0.55 dom. -0.05 bre. +0.13`	18I	chainID: B, resSeq: 1460, molecule: 3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide
4bjk-C-1450	`sad. -0.06 ruf. -0.59 dom. -0.10 bre. +0.11`	CYS	chainID: C, resSeq: 422, molecule: LANOSTEROL 14-ALPHA-DEMETHYLASE	oxidoreductase oligomeric count: 1 pocket vol.: 447.0 Å³ d(Fe-oop): 0.014 Å
4bjk-C-1450	`sad. -0.06 ruf. -0.59 dom. -0.10 bre. +0.11`	18I	chainID: C, resSeq: 1460, molecule: 3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide