MolNFT v1 · #35076 · protein

Crystal structure of isocitrate dehydrogenase from sulfolobus tokodaii STRAIN7 at 2.0 a resolution

2E0C · 409AA long hypothetical NADP-dependent isocitrate…: “Crystal structure of isocitrate dehydrogenase from sulfolobus tokodaii STRAIN7 at 2.0 a resolution”. X-ray diffraction, 7 pockets (best druggability 0.65). MolNFT v1 #35076 on…

PDB: 2E0C
Type: protein
Length: 802 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 409AA long hypothetical NADP-dependent isocitrate dehydrogenase
EC: 1.1.1.42
UniProt: Q96YK6
Pockets: 7 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	409AA long hypothetical NADP-dependent isocitrate dehydrogenase (EC 1.1.1.42)	protein	401	45% helix, 19% strand	Q96YK6

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	106	0.65	0.89	20	empty
2	116	0.62	0.87	24	empty
3	355	0.54	0.74	40	empty
4	243	0.53	0.76	32	empty
5	246	0.50	0.75	29	empty

Interfaces

1 interface between chains.

A–B · 2713 Å² buried · 40 hydrogen bonds · protein-protein

Compared structures

2E0C · crystal structure of isocitrate dehydrogenase from Sulfolobus tokodaii strain7 at 2.0 A… · 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 Q96YK6
Elsewhere: RCSB PDB 2E0C · PDBe 2E0C · UniProt Q96YK6

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