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MolNFT v1 · #185542 · protein

Ketol-acid reductoisomerase from methanothermococcus thermolithotrophicus in the open state with NADP and tartrate

7Q07: “Ketol-acid reductoisomerase from methanothermococcus thermolithotrophicus in the open state with NADP and…”. X-ray diffraction, 2 ligands (NAP, CL), 4 pockets (best druggability 0.55). MolNFT v1 #185542 on GenesisL1: 3D structure…

PDB
7Q07
Type
protein
Length
327 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
NAP, CL
Pockets
4 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 60% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AKetol-acid reductoisomerase from methanothermococcus thermolithotrophicus (EC 1.1.1.86)protein32760% helix, 13% strand—

Ligands and binding sites

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
  • CL · Chloride ion · ion · 3 copies · chains A
  • TLA · L(+)-tartaric acid · additive · chains A
  • EDO · 1,2-ethanediol · additive · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13570.550.7335empty
21990.470.7533TLA
3780.360.7618NAP
4500.320.7814empty

Compared structures

  • 7Q07 · Ketol-acid reductoisomerase from Methanothermococcus thermolithotrophicus in the open… · the same entry in another collection · chain A against A, TM-score 1.00

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