MolNFT v1 · #24881 · protein

Crystal structure of isocitrate dehydrogenase from aeropyrum pernix

1V94: “Crystal structure of isocitrate dehydrogenase from aeropyrum pernix”. X-ray diffraction, 8 pockets (best druggability 0.75). MolNFT v1 #24881 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1V94
Type: protein
Length: 852 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: 8 · best druggability 0.75

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	429	43% helix, 18% strand	Q9YE81
B	Isocitrate dehydrogenase (EC 1.1.1.42)	protein	423	45% helix, 17% strand	Q9YE81

Pockets

8 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	773	0.75	0.80	71	empty
2	652	0.72	0.79	75	empty
3	159	0.58	0.82	22	empty
4	117	0.44	0.78	22	empty
5	169	0.42	0.74	30	empty

Interfaces

1 interface between chains.

A–B · 3058 Å² buried · 40 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

1V94 · Crystal structure of isocitrate dehydrogenase from 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 1V94 · PDBe 1V94 · UniProt Q9YE81

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