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PyDISH No: 06101

PDB: 3l4d,
chainID: A, resSeq: 481
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.75 Å

axial ligand #1: CYS

chainID: A,
resSeq: 422,
Coordination distance[Å]: 2.287
molecule: Sterol 14-alpha demethylase
EC number: 1.14.13.70
Organism: Leishmania infantum

axial ligand #2: TPF

chainID: A,
resSeq: 490,
Coordination distance[Å]: 1.88
molecule: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL

List of other hemes in pdb:3l4d

ID of heme	Distortion	Axial ligands on heme		Function & structure
3l4d-B-481	`sad. -0.35 ruf. -0.57 dom. +0.17 bre. -0.23`	CYS	chainID: B, resSeq: 422, molecule: Sterol 14-alpha demethylase	oxidoreductase oligomeric count: 4 pocket vol.: 453.0 Å³ d(Fe-oop): 0.014 Å
3l4d-B-481	`sad. -0.35 ruf. -0.57 dom. +0.17 bre. -0.23`	TPF	chainID: B, resSeq: 490, molecule: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
3l4d-C-481	`sad. -0.33 ruf. -0.62 dom. -0.03 bre. -0.23`	CYS	chainID: C, resSeq: 422, molecule: Sterol 14-alpha demethylase	oxidoreductase oligomeric count: 4 pocket vol.: 448.0 Å³ d(Fe-oop): 0.015 Å
3l4d-C-481	`sad. -0.33 ruf. -0.62 dom. -0.03 bre. -0.23`	TPF	chainID: C, resSeq: 490, molecule: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL
3l4d-D-481	`sad. -0.12 ruf. -0.74 dom. +0.14 bre. -0.19`	CYS	chainID: D, resSeq: 422, molecule: Sterol 14-alpha demethylase	oxidoreductase oligomeric count: 4 pocket vol.: 437.0 Å³ d(Fe-oop): 0.043 Å
3l4d-D-481	`sad. -0.12 ruf. -0.74 dom. +0.14 bre. -0.19`	TPF	chainID: D, resSeq: 490, molecule: 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL