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Crystal structure of a 2-isopropylmalate synthase from cytophaga hutchinsonii

Analyse Crystal structure of a 2-isopropylmalate synthase from cytophaga hutchinsonii in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3EEG
Type: protein
Length: 540 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 2-isopropylmalate synthase
EC: 2.3.3.13
UniProt: Q11NN9
Pockets: 4 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 47% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	2-isopropylmalate synthase (EC 2.3.3.13)	protein	267	49% helix, 18% strand	Q11NN9
B	2-isopropylmalate synthase (EC 2.3.3.13)	protein	273	45% helix, 19% strand	Q11NN9

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	252	0.54	0.76	41	empty
2	218	0.53	0.77	26	empty
3	118	0.49	0.80	21	empty
4	110	0.37	0.74	31	empty

Interfaces

1 interface between chains.

A–B · 729 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 modified (engineered).

Compared structures

3EEG · Crystal structure of a 2-isopropylmalate synthase from Cytophaga hutchinsonii · 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 Q11NN9
Elsewhere: RCSB PDB 3EEG · PDBe 3EEG · UniProt Q11NN9

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