PDB ID: pdb_00009cwd
- Structure of human endothelial nitric oxide synthase heme domain bound with 6-(5-((dimethylamino)methyl)-2,3-difluorophenyl)-4-methylpyridin-2-amine dihydrochloride
- Experimental method: X-RAY DIFFRACTION
- Resolution: 1.92 Å
- Deposition date: 2024-07-29
Number of assemblies: 2
| Structural data | modeled |
|---|---|
| Oligomeric count | 2 |
| label_asym_ids of protein | |
| label_asym_ids of heme | |
| label_asym_ids of the others |
F (H4B  H4B
), G (A1A A1A
), H (BTB BTB
), I (BTBBTB
), J (BTBBTB
), K (GOL GOL
), L (GOLGOL
), M (CL CL
), N (GD3 GD3
), O (ZN ZN
), P (GOLGOL
), R (H4BH4B
), S (A1AA1A
), T (BTBBTB
), U (BTBBTB
), V (GOLGOL
), W (GOLGOL
), X (CLCL
), Y (GD3GD3
), Z (GD3GD3
)
|
Each chain information
| auth_asym_id | A |
|---|---|
| Residue indices (Uniprot) | 67-480 (41-480) |
| Mutations (UniProt numbering) | |
| Missing residues | 107ARG-119ALA |
| Structural gaps | Exists |
| Uniprot ID | P29474 ￫UniprotKB |
| label_asym_ids of heme | E |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.11 Å |
| auth_asym_id | B |
|---|---|
| Residue indices (Uniprot) | 68-480 (41-480) |
| Mutations (UniProt numbering) | |
| Missing residues | 107ARG-118PRO |
| Structural gaps | Exists |
| Uniprot ID | P29474 ￫UniprotKB |
| label_asym_ids of heme | Q |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.11 Å |
| Structural data | modeled |
|---|---|
| Oligomeric count | 2 |
| label_asym_ids of protein | |
| label_asym_ids of heme | |
| label_asym_ids of the others |
BA (H4BH4B
), CA (A1AA1A
), DA (BTBBTB
), EA (BTBBTB
), FA (BTBBTB
), GA (GOLGOL
), HA (GOLGOL
), IA (GOLGOL
), JA (CLCL
), KA (ZNZN
), MA (H4BH4B
), NA (A1AA1A
), OA (BTBBTB
), PA (BTBBTB
), QA (GOLGOL
), RA (GOLGOL
), SA (CLCL
), TA (GD3GD3
)
|
Each chain information
| auth_asym_id | C |
|---|---|
| Residue indices (Uniprot) | 67-480 (41-480) |
| Mutations (UniProt numbering) | |
| Missing residues | 107ARG-118PRO |
| Structural gaps | Exists |
| Uniprot ID | P29474 ￫UniprotKB |
| label_asym_ids of heme | AA |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.11 Å |
| auth_asym_id | D |
|---|---|
| Residue indices (Uniprot) | 68-480 (41-480) |
| Mutations (UniProt numbering) | |
| Missing residues | 108LYS-118PRO |
| Structural gaps | Exists |
| Uniprot ID | P29474 ￫UniprotKB |
| label_asym_ids of heme | LA |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.10 Å |