MolNFT v1 · #155300 · protein
Ilvc, a ketol-acid reductoisomerase, from streptococcus PNUEMONIAE_D191G
6L2Z · Ketol-acid reductoisomerase (NADP(+)): “Ilvc, a ketol-acid reductoisomerase, from streptococcus PNUEMONIAE_D191G”. X-ray diffraction, 3 ligands (NAP, SO4, NH4), 7 pockets (best druggability 0.77). MolNFT v1 #155300 on GenesisL1: 3D…
- PDB
- 6L2Z
- Type
- protein
- Length
- 648 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ketol-acid reductoisomerase (NADP(+))
- EC
- 1.1.1.86
- UniProt
- Q04M32
- Ligands
- NAP, SO4, NH4
- Pockets
- 7 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 59% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Ketol-acid reductoisomerase (NADP(+)) (EC 1.1.1.86) | protein | 324 | 59% helix, 12% strand | Q04M32 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- NH4 · Ammonium ion · ion · chains B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 576 | 0.77 | 0.84 | 56 | SO4, GOL, NAP |
| 2 | 624 | 0.77 | 0.83 | 72 | NAP |
| 3 | 151 | 0.50 | 0.79 | 20 | empty |
| 4 | 159 | 0.49 | 0.77 | 20 | empty |
| 5 | 112 | 0.45 | 0.78 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 5630 Ų buried · 55 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6L2Z · IlvC, a ketol-acid reductoisomerase, from Streptococcus pnuemoniae_D191G · the same entry in another collection · chain A against A, TM-score 1.00
- Q04M32 · AlphaFold monomer V2.0 prediction for ketol-acid reductoisomerase (NADP(+)) (Q04M32) · 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 Q04M32
- Elsewhere: RCSB PDB 6L2Z · PDBe 6L2Z · UniProt Q04M32
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