MolNFT v1 · #21716 · protein
X-ray structure of O-succinylbenzoate synthase complexed with O-succinylbenzoic acid
1SJB · N-acylamino acid racemase: “X-ray structure of O-succinylbenzoate synthase complexed with O-succinylbenzoic acid”. X-ray diffraction, 2 ligands (OSB, MG), 10 pockets (best druggability 0.88). MolNFT v1 #21716 on GenesisL1: 3D…
- PDB
- 1SJB
- Type
- protein
- Length
- 1,470 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-acylamino acid racemase
- UniProt
- Q44244
- Ligands
- OSB, MG
- Pockets
- 10 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | N-acylamino acid racemase | protein | 367 | 37% helix, 23% strand | Q44244 |
| B, D | N-acylamino acid racemase | protein | 368 | 38% helix, 23% strand | Q44244 |
Ligands and binding sites
- OSB · 2-succinylbenzoate · ligand · 4 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1014 | 0.88 | 0.89 | 124 | empty |
| 2 | 920 | 0.87 | 0.89 | 121 | empty |
| 3 | 73 | 0.72 | 0.97 | 24 | OSB |
| 4 | 162 | 0.69 | 0.89 | 38 | OSB |
| 5 | 169 | 0.69 | 0.88 | 37 | OSB |
Interfaces
5 interfaces between chains.
- A–B · 1261 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 1234 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 1042 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 143 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 126 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1SJB · X-ray structure of o-succinylbenzoate synthase complexed with o-succinylbenzoic acid · 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 Q44244
- Elsewhere: RCSB PDB 1SJB · PDBe 1SJB · UniProt Q44244
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