MolNFT v1 · #158066 · protein
Wild-type E. COLI mene with bound M phenylether-linked analogue of osb-ams
6NJ0 · 2-succinylbenzoate--CoA ligase: “Wild-type E. COLI mene with bound M phenylether-linked analogue of osb-ams”. X-ray diffraction, 1 ligand (KOY), 2 pockets (best druggability 0.68). MolNFT v1 #158066 on GenesisL1: 3D structure…
- PDB
- 6NJ0
- Type
- protein
- Length
- 439 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2-succinylbenzoate--CoA ligase
- EC
- 6.2.1.26
- UniProt
- P37353
- Ligands
- KOY
- Pockets
- 2 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2-succinylbenzoate--CoA ligase (EC 6.2.1.26) | protein | 439 | 30% helix, 29% strand | P37353 |
Ligands and binding sites
- KOY · 5'-O-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 642 | 0.68 | 0.77 | 55 | KOY |
| 2 | 108 | 0.47 | 0.79 | 21 | empty |
Compared structures
- 6NJ0 · Wild-type E. coli MenE with bound m phenylether-linked analogue of OSB-AMS · the same entry in another collection · chain A against A, TM-score 1.00
- P37353 · AlphaFold monomer V2.0 prediction for 2-succinylbenzoate--CoA ligase (P37353) · a predicted model of the same protein · chain A against A, TM-score 0.89
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 P37353
- Elsewhere: RCSB PDB 6NJ0 · PDBe 6NJ0 · UniProt P37353
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