MolNFT v1 · #16081 · protein
Murine inducible nitric oxide synthase oxygenase domain (delta 114) complexed with type I E. COLI chloramphenicol acetyl transferase and imidazole
1NOC: “Murine inducible nitric oxide synthase oxygenase domain (delta 114) complexed with type I E. COLI…”. X-ray diffraction, 1 ligand (HEM), 10 pockets (best druggability 0.73). MolNFT v1 #16081 on GenesisL1: 3D structure, binding sites…
- PDB
- 1NOC
- Type
- protein
- Length
- 585 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inducible nitric oxide synthase; Type 1 chloramphenicol acetyltransferase
- EC
- 1.14.13.39, 2.3.1.28
- UniProt
- P29477, P62577
- Ligands
- HEM
- Pockets
- 10 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inducible nitric oxide synthase (EC 1.14.13.39) | protein | 372 | 39% helix, 17% strand | P29477 |
| B | Type 1 chloramphenicol acetyltransferase (EC 2.3.1.28) | protein | 213 | 31% helix, 26% strand | P62577 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- IMD · Imidazole · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 579 | 0.73 | 0.81 | 66 | HEM, IMD |
| 2 | 207 | 0.51 | 0.77 | 31 | empty |
| 3 | 87 | 0.47 | 0.82 | 15 | empty |
| 4 | 107 | 0.47 | 0.79 | 17 | empty |
| 5 | 155 | 0.41 | 0.73 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 475 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1NOC · Murine inducible nitric oxide synthase oxygenase domain (delta 114) complexed with type I… · the same entry in another collection · chain A against A, TM-score 1.00
- P62577 · AlphaFold monomer V2.0 prediction for chloramphenicol acetyltransferase (P62577) · a predicted model of the same protein · chain B against A, TM-score 0.98
- P29477 · AlphaFold monomer V2.0 prediction for nitric oxide synthase, inducible (P29477) · a predicted model of the same protein · chain A against A, TM-score 0.88
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P29477
- Every structure of UniProt P62577
- Elsewhere: RCSB PDB 1NOC · PDBe 1NOC · UniProt P29477 · UniProt P62577
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