Research workbench
Crystal structure of campylobacter jejuni keto said reductoisomerase in complex with magnesium and oxidixized and reduced NADPH
Analyse Crystal structure of campylobacter jejuni keto said reductoisomerase in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7RDU
- Type
- protein
- Length
- 329 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ketol-acid reductoisomerase (NADP(+))
- EC
- 1.1.1.86
- UniProt
- Q5HVD9
- Ligands
- NAP, NDP, MG
- Pockets
- 4 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 61% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ketol-acid reductoisomerase (NADP(+)) (EC 1.1.1.86) | protein | 329 | 61% helix, 13% strand | Q5HVD9 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 248 | 0.48 | 0.73 | 29 | empty |
| 2 | 103 | 0.40 | 0.76 | 18 | MG |
| 3 | 94 | 0.36 | 0.75 | 17 | empty |
| 4 | 51 | 0.25 | 0.72 | 15 | empty |
Compared structures
- 7RDU · Crystal structure of Campylobacter jejuni keto said reductoisomerase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q5HVD9 · AlphaFold monomer V2.0 prediction for ketol-acid reductoisomerase (NADP(+)) (Q5HVD9) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 Q5HVD9
- Elsewhere: RCSB PDB 7RDU · PDBe 7RDU · UniProt Q5HVD9
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