MolNFT v1 · #64021 · protein
Ketol-acid reductoisomerase (kari) in complex with MG2+
3FR7 · Putative ketol-acid reductoisomerase (OS05G0573700 protein): “Ketol-acid reductoisomerase (kari) in complex with MG2+”. X-ray diffraction, 1 ligand (MG), 11 pockets (best druggability 0.77). MolNFT v1 #64021 on GenesisL1: 3D…
- PDB
- 3FR7
- Type
- protein
- Length
- 985 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative ketol-acid reductoisomerase (OS05G0573700 protein)
- EC
- 1.1.1.86
- UniProt
- Q65XK0
- Ligands
- MG
- Pockets
- 11 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 59% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative ketol-acid reductoisomerase (OS05G0573700 protein) (EC 1.1.1.86) | protein | 495 | 58% helix, 11% strand | Q65XK0 |
| B | Putative ketol-acid reductoisomerase (OS05G0573700 protein) (EC 1.1.1.86) | protein | 490 | 59% helix, 11% strand | Q65XK0 |
Ligands and binding sites
- MG · Magnesium ion · metal · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 117 | 0.77 | 0.97 | 30 | empty |
| 2 | 607 | 0.76 | 0.82 | 60 | MG |
| 3 | 618 | 0.75 | 0.82 | 53 | MG |
| 4 | 379 | 0.73 | 0.84 | 40 | empty |
| 5 | 235 | 0.71 | 0.86 | 52 | empty |
Interfaces
1 interface between chains.
- A–B · 2162 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 3FR7 · ketol-acid reductoisomerase (KARI) in complex with Mg2+ · the same entry in another collection · chain A against A, TM-score 1.00
- Q65XK0 · AlphaFold monomer V2.0 prediction for ketol-acid reductoisomerase, chloroplastic (Q65XK0) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 Q65XK0
- Elsewhere: RCSB PDB 3FR7 · PDBe 3FR7 · UniProt Q65XK0
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