MolNFT v1 · #156392 · protein
Double MUTANT(H333A/I334A) crystal structure of benzoate coenzyme a ligase
6M2O · Benzoate-coenzyme a ligase: “Double MUTANT(H333A/I334A) crystal structure of benzoate coenzyme a ligase”. X-ray diffraction, 8 pockets (best druggability 0.86). MolNFT v1 #156392 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6M2O
- Type
- protein
- Length
- 1,036 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Benzoate-coenzyme a ligase
- UniProt
- Q93TK0
- Pockets
- 8 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Benzoate-coenzyme a ligase | protein | 518 | 30% helix, 26% strand | Q93TK0 |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 591 | 0.86 | 0.91 | 95 | empty |
| 2 | 546 | 0.85 | 0.91 | 89 | empty |
| 3 | 173 | 0.66 | 0.86 | 35 | empty |
| 4 | 296 | 0.63 | 0.80 | 39 | empty |
| 5 | 156 | 0.55 | 0.81 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 1512 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 6M2O · Double mutant(H333A/I334A) crystal structure of benzoate coenzyme A ligase · 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 Q93TK0
- Elsewhere: RCSB PDB 6M2O · PDBe 6M2O · UniProt Q93TK0
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