PDB ID: pdb_00004c0c
- Crystal structure of Trypanosoma cruzi CYP51 bound to the inhibitor (R)-N-(3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl)-4-(4-(2,4-difluorophenyl)piperazin-1-yl)-2-fluorobenzamide.
- Experimental method: X-RAY DIFFRACTION
- Resolution: 2.04 Å
- Deposition date: 2013-08-01
Number of assemblies: 1
| Structural data | modeled |
|---|---|
| Oligomeric count | 3 |
| label_asym_ids of protein | |
| label_asym_ids of heme | |
| label_asym_ids of the others |
C (WVH  WVH
), C-1 (WVHWVH
), C-2 (WVHWVH
), D (SO4 SO4
), D-1 (SO4SO4
), D-2 (SO4SO4
), E (SO4SO4
), E-1 (SO4SO4
), E-2 (SO4SO4
), F (SO4SO4
), F-1 (SO4SO4
), F-2 (SO4SO4
), G (SO4SO4
), G-1 (SO4SO4
), G-2 (SO4SO4
), H (SO4SO4
), H-1 (SO4SO4
), H-2 (SO4SO4
), I (SO4SO4
), I-1 (SO4SO4
), I-2 (SO4SO4
), J (SO4SO4
), J-1 (SO4SO4
), J-2 (SO4SO4
), K (SO4SO4
), K-1 (SO4SO4
), K-2 (SO4SO4
), L (SO4SO4
), L-1 (SO4SO4
), L-2 (SO4SO4
), M (SO4SO4
), M-1 (SO4SO4
), M-2 (SO4SO4
), N (SO4SO4
), N-1 (SO4SO4
), N-2 (SO4SO4
), O (SO4SO4
), O-1 (SO4SO4
), O-2 (SO4SO4
), P (GOL GOL
), P-1 (GOLGOL
), P-2 (GOLGOL
), Q (GOLGOL
), Q-1 (GOLGOL
), Q-2 (GOLGOL
), R (SO4SO4
), R-1 (SO4SO4
), R-2 (SO4SO4
)
|
Each chain information
| auth_asym_id | A |
|---|---|
| Residue indices (Uniprot) | 29-478 (32-481) |
| Mutations (UniProt numbering) | |
| Missing residues | 254LYS-257ASN |
| Structural gaps | Exists |
| Uniprot ID | Q7Z1V1 ￫UniprotKB |
| label_asym_ids of heme | B |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.13 Å |
| auth_asym_id | A |
|---|---|
| Residue indices (Uniprot) | 29-478 (32-481) |
| Mutations (UniProt numbering) | |
| Missing residues | 254LYS-257ASN |
| Structural gaps | Exists |
| Uniprot ID | Q7Z1V1 ￫UniprotKB |
| label_asym_ids of heme | B-1 |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.12 Å |
| auth_asym_id | A |
|---|---|
| Residue indices (Uniprot) | 29-478 (32-481) |
| Mutations (UniProt numbering) | |
| Missing residues | 254LYS-257ASN |
| Structural gaps | Exists |
| Uniprot ID | Q7Z1V1 ￫UniprotKB |
| label_asym_ids of heme | B-2 |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.12 Å |