Research workbench
Crystal structure of ornithine carbamoyltransferase from mycobacterium tuberculosis (RV1656): orthorhombic form
Analyse Crystal structure of ornithine carbamoyltransferase from mycobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2P2G
- Type
- protein
- Length
- 1,779 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ornithine carbamoyltransferase
- EC
- 2.1.3.3
- UniProt
- P0A5M8
- Ligands
- SO4
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 3 distinct chains · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, D, F | Ornithine carbamoyltransferase (EC 2.1.3.3) | protein | 295 | 46% helix, 16% strand | P0A5M8 |
| C | Ornithine carbamoyltransferase (EC 2.1.3.3) | protein | 298 | 45% helix, 16% strand | P0A5M8 |
| E | Ornithine carbamoyltransferase (EC 2.1.3.3) | protein | 301 | 46% helix, 16% strand | P0A5M8 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 16 copies · chains A, B, C, D, F, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 993 | 0.85 | 0.86 | 56 | SO4 |
| 2 | 364 | 0.72 | 0.84 | 42 | SO4 |
| 3 | 88 | 0.70 | 0.94 | 24 | SO4 |
| 4 | 318 | 0.67 | 0.82 | 35 | SO4 |
| 5 | 326 | 0.67 | 0.82 | 38 | SO4 |
Interfaces
10 interfaces between chains.
- E–F · 1148 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 1147 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 1146 Ų buried · 14 hydrogen bonds · protein-protein
- D–F · 1142 Ų buried · 12 hydrogen bonds · protein-protein
- D–E · 1135 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 2P2G · Crystal Structure of Ornithine Carbamoyltransferase from Mycobacterium Tuberculosis… · 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 P0A5M8
- Elsewhere: RCSB PDB 2P2G · PDBe 2P2G · UniProt P0A5M8
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