MolNFT v1 · #86712 · protein
Structure of vibrio cholerae broad spectrum racemase
4BEU · Alanine racemase: “Structure of vibrio cholerae broad spectrum racemase”. X-ray diffraction, 2 ligands (PLP, CL), 4 pockets (best druggability 0.63). MolNFT v1 #86712 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4BEU
- Type
- protein
- Length
- 392 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alanine racemase
- EC
- 5.1.1.1
- UniProt
- D0H7Y0
- Ligands
- PLP, CL
- Pockets
- 4 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alanine racemase (EC 5.1.1.1) | protein | 392 | 35% helix, 23% strand | D0H7Y0 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 237 | 0.63 | 0.82 | 45 | CL, PLP |
| 2 | 89 | 0.42 | 0.79 | 26 | empty |
| 3 | 57 | 0.41 | 0.81 | 18 | empty |
| 4 | 109 | 0.37 | 0.74 | 31 | empty |
Modifications
Observed in the structure: 1 cofactor, 1 disulfide (pyridoxal phosphate Schiff base, disulfide).
Compared structures
- 4BEU · Structure of Vibrio cholerae broad spectrum racemase · 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 D0H7Y0
- Elsewhere: RCSB PDB 4BEU · PDBe 4BEU · UniProt D0H7Y0
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