MolNFT v1 · #17630 · protein
The crystal structure of klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactors
1OZF · Acetolactate synthase, catabolic: “The crystal structure of klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactors”. X-ray diffraction, 3 ligands (TPP, MG, PO4), 13 pockets (best druggability 0.69). MolNFT v1 #17630…
- PDB
- 1OZF
- Type
- protein
- Length
- 1,087 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Acetolactate synthase, catabolic
- EC
- 4.1.3.18
- UniProt
- P27696
- Ligands
- TPP, MG, PO4
- Pockets
- 13 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Acetolactate synthase, catabolic (EC 4.1.3.18) | protein | 545 | 44% helix, 19% strand | P27696 |
| B | Acetolactate synthase, catabolic (EC 4.1.3.18) | protein | 542 | 44% helix, 19% strand | P27696 |
Ligands and binding sites
- TPP · Thiamine diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 397 | 0.69 | 0.81 | 39 | empty |
| 2 | 481 | 0.67 | 0.79 | 71 | empty |
| 3 | 281 | 0.65 | 0.82 | 40 | PEG |
| 4 | 294 | 0.57 | 0.77 | 42 | PEG |
| 5 | 249 | 0.56 | 0.77 | 31 | PEG |
Interfaces
1 interface between chains.
- A–B · 505 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 1OZF · The crystal structure of Klebsiella pneumoniae acetolactate synthase with enzyme-bound… · the same entry in another collection · chain A against A, TM-score 1.00
- P27696 · AlphaFold monomer V2.0 prediction for acetolactate synthase, catabolic (P27696) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P27696
- Elsewhere: RCSB PDB 1OZF · PDBe 1OZF · UniProt P27696
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