Research workbench
Crystal structure of class I acetohydroxy acid isomeroreductase from pseudomonas aeruginosa
Analyse Crystal structure of class I acetohydroxy acid isomeroreductase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1NP3
- Type
- protein
- Length
- 1,308 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ketol-acid reductoisomerase
- EC
- 1.1.1.86
- UniProt
- Q9HVA2
- Pockets
- 7 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 61% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Ketol-acid reductoisomerase (EC 1.1.1.86) | protein | 327 | 61% helix, 12% strand | Q9HVA2 |
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 765 | 0.78 | 0.82 | 64 | empty |
| 2 | 691 | 0.77 | 0.82 | 62 | empty |
| 3 | 632 | 0.76 | 0.82 | 57 | empty |
| 4 | 595 | 0.75 | 0.82 | 47 | empty |
| 5 | 192 | 0.48 | 0.76 | 22 | empty |
Interfaces
4 interfaces between chains.
- C–D · 5803 Ų buried · 54 hydrogen bonds · protein-protein
- A–B · 5795 Ų buried · 58 hydrogen bonds · protein-protein
- B–C · 566 Ų buried · 14 hydrogen bonds · protein-protein
- B–D · 57 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1NP3 · Crystal structure of class I acetohydroxy acid isomeroreductase from Pseudomonas… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HVA2 · AlphaFold monomer V2.0 prediction for ketol-acid reductoisomerase (NADP(+)) (Q9HVA2) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 Q9HVA2
- Elsewhere: RCSB PDB 1NP3 · PDBe 1NP3 · UniProt Q9HVA2
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