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MolNFT v1 · #17406 · protein

Structure of 3-isopropylmalate dehydrogenase

1OSI: “Structure of 3-isopropylmalate dehydrogenase”. X-ray diffraction, 18 pockets (best druggability 0.69). MolNFT v1 #17406 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1OSI
Type
protein
Length
1,380 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
3-isopropylmalate dehydrogenase
EC
1.1.1.85
UniProt
Q5SIY4
Pockets
18 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, D3-isopropylmalate dehydrogenase (EC 1.1.1.85)protein34547% helix, 19% strandQ5SIY4

Pockets

18 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1960.690.9222empty
21280.690.9024empty
31010.650.9020empty
45230.650.7740empty
5870.640.9022empty

Interfaces

5 interfaces between chains.

  • A–C · 2119 Ų buried · 37 hydrogen bonds · protein-protein
  • B–D · 2110 Ų buried · 37 hydrogen bonds · protein-protein
  • C–D · 118 Ų buried · 3 hydrogen bonds · protein-protein
  • A–D · 75 Ų buried · 2 hydrogen bonds · protein-protein
  • B–C · 41 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 1OSI · 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 0.95

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