MolNFT v1 · #143134 · protein
Crystal structures of staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity.
6AQJ: “Crystal structures of staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state…”. X-ray diffraction, 4 ligands (40E, NDP, HIO). MolNFT v1 #143134 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6AQJ
- Type
- protein
- Length
- 652 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q2YUF3
- Ligands
- 40E, NDP, HIO, MG
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 326 | — | Q2YUF3 |
Ligands and binding sites
- 40E · oxo(propan-2-ylamino)acetic acid · ligand · 2 copies · chains A, B
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- HIO · N-hydroxy-N-isopropyloxamic acid · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains B, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6AQJ · Crystal structures of Staphylococcus aureus ketol-acid reductoisomerase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q2YUF3 · AlphaFold monomer V2.0 prediction for ketol-acid reductoisomerase (NADP(+)) (Q2YUF3) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q2YUF3
- Elsewhere: RCSB PDB 6AQJ · PDBe 6AQJ · UniProt Q2YUF3
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