Research workbench
Ketol-acid reductoisomerase from methanothermococcus thermolithotrophicus in the close state with NADP and MG2+
Analyse Ketol-acid reductoisomerase from methanothermococcus thermolithotrophicus in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7Q03
- Type
- protein
- Length
- 328 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ketol-acid reductoisomerase from methanothermococcus thermolithotrophicus
- EC
- 1.1.1.86
- Ligands
- TOE, NAP, MG, SO4
- Pockets
- 3 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 61% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ketol-acid reductoisomerase from methanothermococcus thermolithotrophicus (EC 1.1.1.86) | protein | 328 | 61% helix, 12% strand | — |
Ligands and binding sites
- TOE · 2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxyl · ligand · chains A
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · chains A
- GOL · Glycerol · additive · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 304 | 0.55 | 0.75 | 34 | NAP, MG |
| 2 | 353 | 0.54 | 0.73 | 34 | empty |
| 3 | 66 | 0.34 | 0.76 | 18 | NAP |
Compared structures
- 7Q03 · Ketol-acid reductoisomerase from Methanothermococcus thermolithotrophicus in the close… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Elsewhere: RCSB PDB 7Q03 · PDBe 7Q03
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