MolNFT v1 · #174508 · protein

2-amino-3-ketobutyrate CoA ligase from cupriavidus necator

7BXP · 2-amino-3-ketobutyrate coenzyme a ligase: “2-amino-3-ketobutyrate CoA ligase from cupriavidus necator”. X-ray diffraction, 5 pockets (best druggability 0.79). MolNFT v1 #174508 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 7BXP
Type: protein
Length: 798 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 2-amino-3-ketobutyrate coenzyme a ligase
EC: 2.3.1.29
UniProt: Q0K313
Pockets: 5 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	2-amino-3-ketobutyrate coenzyme a ligase (EC 2.3.1.29)	protein	399	45% helix, 17% strand	Q0K313

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	966	0.79	0.80	130	empty
2	63	0.40	0.80	17	empty
3	55	0.37	0.80	16	empty
4	78	0.37	0.77	16	empty
5	62	0.32	0.76	17	empty

Interfaces

1 interface between chains.

A–B · 4777 Å² buried · 90 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (cofactor).

Compared structures

7BXP · 2-amino-3-ketobutyrate CoA ligase from Cupriavidus necator · 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 Q0K313
Elsewhere: RCSB PDB 7BXP · PDBe 7BXP · UniProt Q0K313

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