MolNFT v1 · #46806 · protein
Crystal structure of the E190A mutant of O-succinylbenzoate synthase from escherichia COLI
2OFJ: “Crystal structure of the E190A mutant of O-succinylbenzoate synthase from escherichia COLI”. X-ray diffraction, 13 pockets (best druggability 0.81). MolNFT v1 #46806 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2OFJ
- Type
- protein
- Length
- 1,194 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- O-succinylbenzoate synthase
- EC
- 4.2.1.-
- UniProt
- P29208
- Pockets
- 13 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 35% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | O-succinylbenzoate synthase (EC 4.2.1.-) | protein | 300 | 35% helix, 24% strand | P29208 |
| C | O-succinylbenzoate synthase (EC 4.2.1.-) | protein | 296 | 34% helix, 24% strand | P29208 |
| D | O-succinylbenzoate synthase (EC 4.2.1.-) | protein | 298 | 37% helix, 22% strand | P29208 |
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 808 | 0.81 | 0.83 | 89 | empty |
| 2 | 256 | 0.69 | 0.84 | 34 | empty |
| 3 | 197 | 0.60 | 0.81 | 39 | empty |
| 4 | 232 | 0.53 | 0.77 | 30 | empty |
| 5 | 273 | 0.50 | 0.74 | 30 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1140 Ų buried · 17 hydrogen bonds · protein-protein
- A–D · 678 Ų buried · 4 hydrogen bonds · protein-protein
- B–C · 563 Ų buried · 8 hydrogen bonds · protein-protein
- B–D · 130 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 118 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2OFJ · Crystal structure of the E190A mutant of o-succinylbenzoate synthase from Escherichia coli · the same entry in another collection · chain A against A, TM-score 1.00
- P29208 · AlphaFold monomer V2.0 prediction for O-succinylbenzoate synthase (P29208) · a predicted model of the same protein · chain A 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 P29208
- Elsewhere: RCSB PDB 2OFJ · PDBe 2OFJ · UniProt P29208
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