MolNFT v1 · #183367 · protein
Crystal structure of mycobacterium tuberculosis argf in apo form.
7NNF · Ornithine carbamoyltransferase: “Crystal structure of mycobacterium tuberculosis argf in apo form.”. X-ray diffraction, 1 ligand (PO4), 19 pockets (best druggability 0.84). MolNFT v1 #183367 on GenesisL1: 3D structure, binding sites…
- PDB
- 7NNF
- Type
- protein
- Length
- 1,807 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ornithine carbamoyltransferase
- EC
- 2.1.3.3
- UniProt
- P9WIT9
- Ligands
- PO4
- Pockets
- 19 · best druggability 0.84
Structure
x-ray diffraction · 6 distinct chains · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ornithine carbamoyltransferase (EC 2.1.3.3) | protein | 303 | 45% helix, 16% strand | P9WIT9 |
| B | Ornithine carbamoyltransferase (EC 2.1.3.3) | protein | 298 | 46% helix, 16% strand | P9WIT9 |
| C | Ornithine carbamoyltransferase (EC 2.1.3.3) | protein | 298 | 46% helix, 16% strand | P9WIT9 |
| D | Ornithine carbamoyltransferase (EC 2.1.3.3) | protein | 307 | 45% helix, 16% strand | P9WIT9 |
| E | Ornithine carbamoyltransferase (EC 2.1.3.3) | protein | 302 | 46% helix, 16% strand | P9WIT9 |
| F | Ornithine carbamoyltransferase (EC 2.1.3.3) | protein | 299 | 45% helix, 16% strand | P9WIT9 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 10 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1166 | 0.84 | 0.85 | 63 | PO4 |
| 2 | 441 | 0.73 | 0.83 | 44 | empty |
| 3 | 101 | 0.70 | 0.93 | 27 | empty |
| 4 | 430 | 0.68 | 0.80 | 54 | PO4 |
| 5 | 236 | 0.68 | 0.85 | 36 | empty |
Interfaces
11 interfaces between chains.
- D–F · 1120 Ų buried · 18 hydrogen bonds · protein-protein
- E–F · 1117 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 1088 Ų buried · 15 hydrogen bonds · protein-protein
- A–C · 1043 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 1013 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 7NNF · Crystal structure of Mycobacterium tuberculosis ArgF in apo form. · the same entry in another collection · chain F against F, TM-score 1.00
- P9WIT9 · AlphaFold monomer V2.0 prediction for ornithine carbamoyltransferase (P9WIT9) · a predicted model of the same protein · chain E against A, TM-score 0.99
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 P9WIT9
- Elsewhere: RCSB PDB 7NNF · PDBe 7NNF · UniProt P9WIT9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.