PDB ID: pdb_00006nh4
- Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-fluoro-5-(2-((2R,4S)-4-fluoropyrrolidin-2-yl)ethyl)phenethyl)-4-methylpyridin-2-amine
- Experimental method: X-RAY DIFFRACTION
- Resolution: 2.27 Å
- Deposition date: 2018-12-21
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 (KLA  KLA
), G (BTB BTB
), H (BTBBTB
), I (ZN ZN
), J (ZNZN
), K (GOL GOL
), L (CL CL
), M (KLAKLA
), N (ZNZN
), O (H4B H4B
), Q (KLAKLA
), R (BTBBTB
), S (BTBBTB
), T (CLCL
), U (GD GD
), V (BTBBTB
), W (CLCL
)
|
Each chain information
| auth_asym_id | A |
|---|---|
| Residue indices (Uniprot) | 68-480 (41-480) |
| Mutations (UniProt numbering) | |
| Missing residues | 110GLN-118PRO |
| 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) | 67-480 (41-480) |
| Mutations (UniProt numbering) | |
| Missing residues | 107ARG-118PRO |
| Structural gaps | Exists |
| Uniprot ID | P29474 ￫UniprotKB |
| label_asym_ids of heme | P |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.10 Å |
| Structural data | modeled |
|---|---|
| Oligomeric count | 2 |
| label_asym_ids of protein | |
| label_asym_ids of heme | |
| label_asym_ids of the others |
AA (KLAKLA
), BA (BTBBTB
), CA (ZNZN
), DA (ZNZN
), EA (GOLGOL
), FA (CLCL
), GA (CLCL
), HA (CLCL
), IA (GDGD
), JA (ZNZN
), LA (KLAKLA
), MA (KLAKLA
), NA (BTBBTB
), OA (BTBBTB
), PA (GDGD
), QA (CLCL
), X (GDGD
), Z (H4BH4B
)
|
Each chain information
| auth_asym_id | C |
|---|---|
| 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 | Y |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.12 Å |
| auth_asym_id | D |
|---|---|
| Residue indices (Uniprot) | 67-480 (41-480) |
| Mutations (UniProt numbering) | |
| Missing residues | 109LEU-118PRO |
| Structural gaps | Exists |
| Uniprot ID | P29474 ￫UniprotKB |
| label_asym_ids of heme | KA |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.09 Å |