Research workbench
Crystal structure of beta-alanine synthase from saccharomyces kluyveri in complex with the product beta- alanine
Analyse Crystal structure of beta-alanine synthase from saccharomyces kluyveri in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2V8G
- Type
- protein
- Length
- 1,728 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-alanine synthase
- EC
- 3.5.1.6
- UniProt
- Q96W94
- Ligands
- BCN, BAL, ZN
- Pockets
- 19 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Beta-alanine synthase (EC 3.5.1.6) | protein | 432 | 36% helix, 22% strand | Q96W94 |
Ligands and binding sites
- BCN · Bicine · ligand · 4 copies · chains A, B, C, D
- BAL · Beta-alanine · ligand · 2 copies · chains A, B, C, D
- ZN · Zinc ion · metal · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 434 | 0.63 | 0.77 | 52 | empty |
| 2 | 353 | 0.54 | 0.74 | 37 | empty |
| 3 | 261 | 0.51 | 0.74 | 40 | empty |
| 4 | 236 | 0.49 | 0.74 | 40 | empty |
| 5 | 118 | 0.48 | 0.79 | 23 | empty |
Interfaces
4 interfaces between chains.
- A–B · 2880 Ų buried · 33 hydrogen bonds · protein-protein
- C–D · 2833 Ų buried · 32 hydrogen bonds · protein-protein
- A–D · 498 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 180 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 2V8G · Crystal structure of beta-alanine synthase from Saccharomyces kluyveri in complex with… · 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 Q96W94
- Elsewhere: RCSB PDB 2V8G · PDBe 2V8G · UniProt Q96W94
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.