MolNFT v1 · #27342 · protein

Isocitrate dehydrogenase from the hyperthermophile aeropyrum pernix

1XGV: “Isocitrate dehydrogenase from the hyperthermophile aeropyrum pernix”. X-ray diffraction, 6 pockets (best druggability 0.71). MolNFT v1 #27342 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1XGV
Type: protein
Length: 850 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Isocitrate dehydrogenase
EC: 1.1.1.42
UniProt: Q9YE81
Pockets: 6 · best druggability 0.71

Structure

x-ray diffraction · 2 distinct chains · 44% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Isocitrate dehydrogenase (EC 1.1.1.42)	protein	430	44% helix, 19% strand	Q9YE81
B	Isocitrate dehydrogenase (EC 1.1.1.42)	protein	420	44% helix, 18% strand	Q9YE81

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	744	0.71	0.78	89	empty
2	744	0.71	0.77	86	empty
3	139	0.59	0.83	20	empty
4	106	0.50	0.81	23	empty
5	140	0.40	0.74	25	empty

Interfaces

1 interface between chains.

A–B · 2910 Å² buried · 43 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

1XGV · Isocitrate Dehydrogenase from the hyperthermophile Aeropyrum pernix · 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
Every structure of UniProt Q9YE81
Elsewhere: RCSB PDB 1XGV · PDBe 1XGV · UniProt Q9YE81

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