PDB ID: pdb_00007ts1
- Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 6-(3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl)-4-methylpyridin-2-amine
- Experimental method: X-RAY DIFFRACTION
- Resolution: 2.06 Å
- Deposition date: 2022-01-31
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 (K8O K8O
), H (GOL GOL
), I (ZN ZN
), K (H4BH4B
), L (K8OK8O
), M (GOLGOL
)
|
Each chain information
| auth_asym_id | A |
|---|---|
| Residue indices (Uniprot) | 302-722 (302-722) |
| Mutations (UniProt numbering) | |
| Uniprot ID | P29475 ￫UniprotKB |
| label_asym_ids of heme | E |
| Available structure | PDB |
| auth_asym_id | B |
|---|---|
| Residue indices (Uniprot) | 304-724 (302-722) |
| Mutations (UniProt numbering) | |
| Missing residues | 345GLN-352ASP |
| Structural gaps | Exists |
| Uniprot ID | P29475 ￫UniprotKB |
| label_asym_ids of heme | J |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.12 Å |
| Structural data | modeled |
|---|---|
| Oligomeric count | 2 |
| label_asym_ids of protein | |
| label_asym_ids of heme | |
| label_asym_ids of the others |
N (GOLGOL
), P (H4BH4B
), Q (K8OK8O
), R (GOLGOL
), S (GOLGOL
), T (ZNZN
), V (H4BH4B
), W (K8OK8O
), X (GOLGOL
)
|
Each chain information
| auth_asym_id | C |
|---|---|
| Residue indices (Uniprot) | 305-722 (302-722) |
| Mutations (UniProt numbering) | |
| Uniprot ID | P29475 ￫UniprotKB |
| label_asym_ids of heme | O |
| Available structure | PDB |
| auth_asym_id | D |
|---|---|
| Residue indices (Uniprot) | 304-722 (302-722) |
| Mutations (UniProt numbering) | |
| Missing residues | 345GLN-352ASP |
| Structural gaps | Exists |
| Uniprot ID | P29475 ￫UniprotKB |
| label_asym_ids of heme | U |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.11 Å |