MolNFT v1 · #102284 · protein
Crystal structure of ornithine carbamoyltransferase from brucella melitensis
4OH7: “Crystal structure of ornithine carbamoyltransferase from brucella melitensis”. X-ray diffraction, 1 ligand (CL), 5 pockets (best druggability 0.67). MolNFT v1 #102284 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4OH7
- Type
- protein
- Length
- 601 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ornithine carbamoyltransferase
- EC
- 2.1.3.3
- UniProt
- C0RH19
- Ligands
- CL
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ornithine carbamoyltransferase (EC 2.1.3.3) | protein | 302 | 45% helix, 17% strand | C0RH19 |
| B | Ornithine carbamoyltransferase (EC 2.1.3.3) | protein | 299 | 46% helix, 17% strand | C0RH19 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 611 | 0.67 | 0.76 | 44 | EDO |
| 2 | 57 | 0.46 | 0.84 | 16 | empty |
| 3 | 141 | 0.45 | 0.77 | 21 | CL |
| 4 | 137 | 0.44 | 0.77 | 23 | CL |
| 5 | 59 | 0.30 | 0.75 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 315 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4OH7 · Crystal structure of Ornithine carbamoyltransferase from Brucella melitensis · the same entry in another collection · chain A against A, TM-score 1.00
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 C0RH19
- Elsewhere: RCSB PDB 4OH7 · PDBe 4OH7 · UniProt C0RH19
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