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Protein data
function: oxidoreductaseexperiment: X-RAY DIFFRACTION
resolution: 2.1 Å
axial ligand #1: CYS
chainID: A,resSeq: 439,
Coordination distance[Å]: 2.444
molecule: Cytochrome P450 2A6
EC number: 1.14.14.1
Organism: Homo sapiens
axial ligand #2: 9PL
chainID: A,resSeq: 501,
Coordination distance[Å]: 2.513
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-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 |
9PL | chainID: B, resSeq: 501, molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one |
|||
3t3q-C-500 |
sad. -0.05 ruf. -0.25 dom. +0.02 bre. -0.19 |
CYS | chainID: C, resSeq: 439, molecule: Cytochrome P450 2A6 |
oxidoreductase oligomeric count: 1 pocket vol.: 422.0 Å3 d(Fe-oop): 0.005 Å |
9PL | chainID: C, 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 |
9PL | chainID: D, resSeq: 501, molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one |