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PyDISH No: 07289

PDB: 3tik,
chainID: C, resSeq: 482
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]: 2.295
molecule: sterol 14-alpha demethylase (CYP51)
EC number: 1.14.13.70
Organism: Trypanosoma brucei

axial ligand #2: JKF

chainID: C,
resSeq: 490,
Coordination distance[Å]: 2.085
molecule: 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one

List of other hemes in pdb:3tik

ID of heme	Distortion	Axial ligands on heme		Function & structure
3tik-A-482	`sad. -0.02 ruf. -0.42 dom. -0.03 bre. -0.12`	CYS	chainID: A, resSeq: 422, molecule: sterol 14-alpha demethylase (CYP51)	oxidoreductase oligomeric count: 4 pocket vol.: 413.0 Å³ d(Fe-oop): 0.018 Å
3tik-A-482	`sad. -0.02 ruf. -0.42 dom. -0.03 bre. -0.12`	JKF	chainID: A, resSeq: 490, molecule: 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one
3tik-B-482	`sad. +0.05 ruf. -0.40 dom. -0.08 bre. -0.13`	CYS	chainID: B, resSeq: 422, molecule: sterol 14-alpha demethylase (CYP51)	oxidoreductase oligomeric count: 4 pocket vol.: 412.0 Å³ d(Fe-oop): 0.001 Å
3tik-B-482	`sad. +0.05 ruf. -0.40 dom. -0.08 bre. -0.13`	JKF	chainID: B, resSeq: 490, molecule: 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one
3tik-D-482	`sad. -0.06 ruf. -0.38 dom. -0.13 bre. -0.12`	CYS	chainID: D, resSeq: 422, molecule: sterol 14-alpha demethylase (CYP51)	oxidoreductase oligomeric count: 4 pocket vol.: 439.0 Å³ d(Fe-oop): 0.009 Å
3tik-D-482	`sad. -0.06 ruf. -0.38 dom. -0.13 bre. -0.12`	JKF	chainID: D, resSeq: 490, molecule: 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one