Research workbench

Y21K mutant of N-acetylornithine aminotransferase complexed with L- canaline

Analyse Y21K mutant of N-acetylornithine aminotransferase complexed with L- canaline in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4JEX
Type: protein
Length: 761 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: ACETYLORNITHINE/SUCCINYLDIAMINOPIMELATE aminotransferase
EC: 2.6.1.11, 2.6.1.17
UniProt: P40732
Ligands: P00, TNF, NA
Pockets: 2 · best druggability 0.88

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	ACETYLORNITHINE/SUCCINYLDIAMINOPIMELATE aminotransferase (EC 2.6.1.11, 2.6.1.17)	protein	378	43% helix, 20% strand	P40732
B	ACETYLORNITHINE/SUCCINYLDIAMINOPIMELATE aminotransferase (EC 2.6.1.11, 2.6.1.17)	protein	383	42% helix, 20% strand	P40732

Ligands and binding sites

P00 · (2S)-2-azanyl-4-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxy-butanoic acid · ligand · 2 copies · chains A, B
TNF · Picric acid · ligand · chains B
NA · Sodium ion · metal · 2 copies · chains A, B
ACT · Acetate ion · additive · 11 copies · chains A, B
EDO · 1,2-ethanediol · additive · 8 copies · chains A, B

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

Pockets

2 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	1000	0.88	0.89	118	EDO, ACT, P00
2	126	0.59	0.84	34	EDO, ACT

Interfaces

1 interface between chains.

A–B · 2788 Å² buried · 21 hydrogen bonds · protein-protein

Compared structures

4JEX · Y21K mutant of N-acetylornithine aminotransferase complexed with L-canaline · the same entry in another collection · chain A against A, TM-score 1.00
P40732 · AlphaFold monomer V2.0 prediction for ACETYLORNITHINE/SUCCINYLDIAMINOPIMELATE… · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P40732
Elsewhere: RCSB PDB 4JEX · PDBe 4JEX · UniProt P40732

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.