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Structure of 3-isopropylmalate dehydrogenase

Analyse Structure of 3-isopropylmalate dehydrogenase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	3-isopropylmalate dehydrogenase (EC 1.1.1.85)	protein	345	47% helix, 19% strand	Q5SIY4

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	96	0.69	0.92	22	empty
2	128	0.69	0.90	24	empty
3	101	0.65	0.90	20	empty
4	523	0.65	0.77	40	empty
5	87	0.64	0.90	22	empty

Interfaces

5 interfaces between chains.

A–C · 2119 Å² buried · 37 hydrogen bonds · protein-protein
B–D · 2110 Å² buried · 37 hydrogen bonds · protein-protein
C–D · 118 Å² buried · 3 hydrogen bonds · protein-protein
A–D · 75 Å² buried · 2 hydrogen bonds · protein-protein
B–C · 41 Å² 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

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 Q5SIY4
Elsewhere: RCSB PDB 1OSI · PDBe 1OSI · UniProt Q5SIY4

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