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PyDISH No: 10185

PDB: 4xrz,
chainID: D, resSeq: 601
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.4 Å

axial ligand #1: CYS

chainID: D,
resSeq: 443,
Coordination distance[Å]: 2.202
molecule: Cytochrome P450 2D6
EC number: 1.14.14.1
Organism: Homo sapiens

axial ligand #2: SI6

chainID: D,
resSeq: 602,
Coordination distance[Å]: 1.986
molecule: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine

List of other hemes in pdb:4xrz

ID of heme	Distortion	Axial ligands on heme		Function & structure
4xrz-A-601	`sad. +0.03 ruf. -0.26 dom. +0.03 bre. -0.22`	CYS	chainID: A, resSeq: 443, molecule: Cytochrome P450 2D6	oxidoreductase oligomeric count: 1 pocket vol.: 382.0 Å³ d(Fe-oop): 0.050 Å
4xrz-A-601	`sad. +0.03 ruf. -0.26 dom. +0.03 bre. -0.22`	SI6	chainID: A, resSeq: 602, molecule: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
4xrz-B-601	`sad. +0.08 ruf. -0.15 dom. +0.01 bre. -0.21`	CYS	chainID: B, resSeq: 443, molecule: Cytochrome P450 2D6	oxidoreductase oligomeric count: 1 pocket vol.: 373.0 Å³ d(Fe-oop): 0.015 Å
4xrz-B-601	`sad. +0.08 ruf. -0.15 dom. +0.01 bre. -0.21`	SI6	chainID: B, resSeq: 602, molecule: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine
4xrz-C-601	`sad. +0.02 ruf. -0.27 dom. +0.07 bre. -0.21`	CYS	chainID: C, resSeq: 443, molecule: Cytochrome P450 2D6	oxidoreductase oligomeric count: 1 pocket vol.: 395.0 Å³ d(Fe-oop): 0.016 Å
4xrz-C-601	`sad. +0.02 ruf. -0.27 dom. +0.07 bre. -0.21`	SI6	chainID: C, resSeq: 602, molecule: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine