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PyDISH No: 07227

PDB: 3t3r,
chainID: C, resSeq: 500
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.4 Å
origomeric count: 1

axial ligand #1: CYS

chainID: C,
resSeq: 439,
Coordination distance[Å]: 2.277
molecule: Cytochrome P450 2A6
EC number: 1.14.14.1
Organism: Homo sapiens

axial ligand #2: 9PL

chainID: C,
resSeq: 501,
Coordination distance[Å]: 2.238
molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one

List of other hemes in pdb:3t3r

ID of heme	Distortion	Axial ligands on heme		Function & structure
3t3r-A-500	`sad. -0.09 ruf. -0.75 dom. +0.02 bre. -0.28`	CYS	chainID: A, resSeq: 439, molecule: Cytochrome P450 2A6	oxidoreductase oligomeric count: 1 pocket vol.: 426.0 Å³ d(Fe-oop): 0.048 Å
3t3r-A-500	`sad. -0.09 ruf. -0.75 dom. +0.02 bre. -0.28`	9PL	chainID: A, resSeq: 501, molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one
3t3r-B-500	`sad. -0.21 ruf. -0.64 dom. +0.11 bre. -0.22`	CYS	chainID: B, resSeq: 439, molecule: Cytochrome P450 2A6	oxidoreductase oligomeric count: 1 pocket vol.: 433.0 Å³ d(Fe-oop): 0.088 Å
3t3r-B-500	`sad. -0.21 ruf. -0.64 dom. +0.11 bre. -0.22`	9PL	chainID: B, resSeq: 501, molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one
3t3r-D-500	`sad. -0.34 ruf. -0.55 dom. +0.01 bre. -0.15`	CYS	chainID: D, resSeq: 439, molecule: Cytochrome P450 2A6	oxidoreductase oligomeric count: 1 pocket vol.: 425.0 Å³ d(Fe-oop): 0.073 Å
3t3r-D-500	`sad. -0.34 ruf. -0.55 dom. +0.01 bre. -0.15`	9PL	chainID: D, resSeq: 501, molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one