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PyDISH No: 07223

PDB: 3t3q,
chainID: C, resSeq: 500
heme type: B

distortion

Protein data

function: oxidoreductase
experiment: X-RAY DIFFRACTION
resolution: 2.1 Å

axial ligand #1: CYS

chainID: C,
resSeq: 439,
Coordination distance[Å]: 2.439
molecule: Cytochrome P450 2A6
EC number: 1.14.14.1
Organism: Homo sapiens

axial ligand #2: 9PL

chainID: C,
resSeq: 501,
Coordination distance[Å]: 2.542
molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one

List of other hemes in pdb:3t3q

ID of heme	Distortion	Axial ligands on heme		Function & structure
3t3q-A-500	`sad. -0.14 ruf. -0.29 dom. +0.14 bre. -0.29`	CYS	chainID: A, resSeq: 439, molecule: Cytochrome P450 2A6	oxidoreductase oligomeric count: 1 pocket vol.: 413.0 Å³ d(Fe-oop): 0.088 Å
3t3q-A-500	`sad. -0.14 ruf. -0.29 dom. +0.14 bre. -0.29`	9PL	chainID: A, resSeq: 501, molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one
3t3q-B-500	`sad. -0.14 ruf. -0.10 dom. +0.07 bre. -0.32`	CYS	chainID: B, resSeq: 439, molecule: Cytochrome P450 2A6	oxidoreductase oligomeric count: 1 pocket vol.: 415.0 Å³ d(Fe-oop): 0.091 Å
3t3q-B-500	`sad. -0.14 ruf. -0.10 dom. +0.07 bre. -0.32`	9PL	chainID: B, resSeq: 501, molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one
3t3q-D-500	`sad. -0.03 ruf. -0.28 dom. -0.01 bre. -0.31`	CYS	chainID: D, resSeq: 439, molecule: Cytochrome P450 2A6	oxidoreductase oligomeric count: 1 pocket vol.: 412.0 Å³ d(Fe-oop): 0.075 Å
3t3q-D-500	`sad. -0.03 ruf. -0.28 dom. -0.01 bre. -0.31`	9PL	chainID: D, resSeq: 501, molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one