MolNFT v1 · #64585 · protein

Crystal structure of valine-pyruvate aminotransferase avta (NP_462565.1) from salmonella typhimurium LT2 at 1.80 a resolution

3G7Q: “Crystal structure of valine-pyruvate aminotransferase avta (NP_462565.1) from salmonella typhimurium LT2 at…”. X-ray diffraction, 1 ligand (CL), 4 pockets (best druggability 0.61). MolNFT v1 #64585 on GenesisL1: 3D structure…

PDB: 3G7Q
Type: protein
Length: 388 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Valine-pyruvate aminotransferase
EC: 2.6.1.66
UniProt: Q8ZL86
Ligands: CL
Pockets: 4 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Valine-pyruvate aminotransferase (EC 2.6.1.66)	protein	388	47% helix, 17% strand	Q8ZL86

Ligands and binding sites

CL · Chloride ion · ion · 3 copies · chains A
EDO · 1,2-ethanediol · additive · 3 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

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	229	0.61	0.81	37	empty
2	59	0.57	0.89	17	empty
3	86	0.42	0.79	27	empty
4	76	0.38	0.77	16	empty

Modifications

Observed in the structure: 15 modified (engineered).

Compared structures

3G7Q · Crystal structure of valine-pyruvate aminotransferase AvtA (NP_462565.1) from Salmonella… · 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 Q8ZL86
Elsewhere: RCSB PDB 3G7Q · PDBe 3G7Q · UniProt Q8ZL86

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