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Protein data
function: oxidoreductaseexperiment: X-RAY DIFFRACTION
resolution: 3.0 Å
axial ligand #1: CYS
chainID: C,resSeq: 439,
Coordination distance[Å]: 2.424
molecule: Cytochrome P450 2A13
EC number: 1.14.14.1
Organism: Homo sapiens
axial ligand #2: 9PL
chainID: C,resSeq: 1,
Coordination distance[Å]: 2.608
molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one
List of other hemes in pdb:3t3s
| ID of heme | Distortion | Axial ligands on heme | Function & structure | |
|---|---|---|---|---|
3t3s-A-500 |
sad. -0.28 ruf. +0.08 dom. -0.01 bre. -0.22 |
CYS | chainID: A, resSeq: 439, molecule: Cytochrome P450 2A13 |
oxidoreductase oligomeric count: 1 pocket vol.: 415.0 Å3 d(Fe-oop): 0.102 Å |
| 9PL | chainID: A, resSeq: 1, molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one |
|||
3t3s-B-500 |
sad. -0.37 ruf. -0.17 dom. -0.04 bre. -0.20 |
CYS | chainID: B, resSeq: 439, molecule: Cytochrome P450 2A13 |
oxidoreductase oligomeric count: 1 pocket vol.: 425.0 Å3 d(Fe-oop): 0.012 Å |
| 9PL | chainID: B, resSeq: 1, molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one |
|||
3t3s-D-500 |
sad. -0.31 ruf. -0.30 dom. +0.02 bre. -0.17 |
CYS | chainID: D, resSeq: 439, molecule: Cytochrome P450 2A13 |
oxidoreductase oligomeric count: 1 pocket vol.: 406.0 Å3 d(Fe-oop): 0.067 Å |
| 9PL | chainID: D, resSeq: 1, molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one |
|||
3t3s-E-500 |
sad. -0.15 ruf. -0.03 dom. -0.02 bre. -0.34 |
CYS | chainID: E, resSeq: 439, molecule: Cytochrome P450 2A13 |
oxidoreductase oligomeric count: 1 pocket vol.: 429.0 Å3 d(Fe-oop): 0.102 Å |
| 9PL | chainID: E, resSeq: 1, molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one |
|||
3t3s-F-500 |
sad. -0.67 ruf. +0.03 dom. -0.09 bre. -0.29 |
CYS | chainID: F, resSeq: 439, molecule: Cytochrome P450 2A13 |
oxidoreductase oligomeric count: 1 pocket vol.: 473.0 Å3 d(Fe-oop): 0.135 Å |
| 9PL | chainID: F, resSeq: 1, molecule: (3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one |
|||
3t3s-G-500 |
sad. -0.28 ruf. -0.37 dom. +0.28 bre. -0.19 |
CYS | chainID: G, resSeq: 439, molecule: Cytochrome P450 2A13 |
oxidoreductase oligomeric count: 1 pocket vol.: 433.0 Å3 d(Fe-oop): 0.409 Å |
| Not assigned. | ||||
3t3s-H-500 |
sad. -0.38 ruf. -0.04 dom. -0.13 bre. -0.22 |
CYS | chainID: H, resSeq: 439, molecule: Cytochrome P450 2A13 |
oxidoreductase oligomeric count: 1 pocket vol.: 469.0 Å3 d(Fe-oop): 0.168 Å |
| Not assigned. | ||||