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MolNFT v1 · #17407 · protein

Structure of 3-isopropylmalate dehydrogenase

1OSJ: “Structure of 3-isopropylmalate dehydrogenase”. X-ray diffraction, 5 pockets (best druggability 0.68). MolNFT v1 #17407 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1OSJ
Type
protein
Length
690 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
3-isopropylmalate dehydrogenase
EC
1.1.1.85
UniProt
Q5SIY4
Pockets
5 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B3-isopropylmalate dehydrogenase (EC 1.1.1.85)protein34548% helix, 21% strandQ5SIY4

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12260.680.8542empty
25940.670.7741empty
31380.660.8824empty
45630.640.7648empty
5620.320.7610empty

Interfaces

1 interface between chains.

  • A–B · 2198 Ų buried · 41 hydrogen bonds · protein-protein

Compared structures

  • 1OSJ · Structure of 3-isopropylmalate dehydrogenase · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5SIY4 · AlphaFold monomer V2.0 prediction for 3-isopropylmalate dehydrogenase (Q5SIY4) · a predicted model of the same protein · chain A against A, TM-score 0.96

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