PDB ID: pdb_00006o5y
- Structure of Human Cytochrome P450 1A1 with 5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide)
- Experimental method: X-RAY DIFFRACTION
- Resolution: 3.17 Å
- Deposition date: 2019-03-04
Number of assemblies: 4
| Structural data | modeled |
|---|---|
| Oligomeric count | 1 |
| label_asym_ids of protein | |
| label_asym_ids of heme | |
| label_asym_ids of the others |
F (KUV  KUV
)
|
Each chain information
| auth_asym_id | A |
|---|---|
| Residue indices (Uniprot) | 36-512 (35-512) |
| Mutations (UniProt numbering) | |
| Missing residues | 152ALA-155THR:292LYS-300VAL |
| Structural gaps | Exists |
| Uniprot ID | P04798 ￫UniprotKB |
| label_asym_ids of heme | E |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.10 Å |
| Structural data | modeled |
|---|---|
| Oligomeric count | 1 |
| label_asym_ids of protein | |
| label_asym_ids of heme | |
| label_asym_ids of the others |
H (NO3 NO3
)
|
Each chain information
| auth_asym_id | B |
|---|---|
| Residue indices (Uniprot) | 37-512 (35-512) |
| Mutations (UniProt numbering) | |
| Missing residues | 152ALA-157CYS |
| Structural gaps | Exists |
| Uniprot ID | P04798 ￫UniprotKB |
| label_asym_ids of heme | G |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.13 Å |
| Structural data | modeled |
|---|---|
| Oligomeric count | 1 |
| label_asym_ids of protein | |
| label_asym_ids of heme | |
| label_asym_ids of the others |
Each chain information
| auth_asym_id | C |
|---|---|
| Residue indices (Uniprot) | 36-512 (35-512) |
| Mutations (UniProt numbering) | |
| Missing residues | 292LYS-300VAL |
| Structural gaps | Exists |
| Uniprot ID | P04798 ￫UniprotKB |
| label_asym_ids of heme | I |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.14 Å |
| Structural data | modeled |
|---|---|
| Oligomeric count | 1 |
| label_asym_ids of protein | |
| label_asym_ids of heme | |
| label_asym_ids of the others |
Each chain information
| auth_asym_id | D |
|---|---|
| Residue indices (Uniprot) | 39-512 (35-512) |
| Mutations (UniProt numbering) | |
| Missing residues | 153SER-157CYS:292LYS-302LEU |
| Structural gaps | Exists |
| Uniprot ID | P04798 ￫UniprotKB |
| label_asym_ids of heme | J |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.14 Å |