Research workbench

Acetyl-CoA synthetase, R584E mutation

Analyse Acetyl-CoA synthetase, R584E mutation in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2P2Q
Type: protein
Length: 1,270 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acetyl-coenzyme a synthetase
EC: 6.2.1.1
UniProt: Q8ZKF6
Ligands: PRX
Pockets: 9 · best druggability 0.83

Structure

x-ray diffraction · 2 distinct chains · 34% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acetyl-coenzyme a synthetase (EC 6.2.1.1)	protein	634	34% helix, 25% strand	Q8ZKF6
B	Acetyl-coenzyme a synthetase (EC 6.2.1.1)	protein	636	34% helix, 25% strand	Q8ZKF6

Ligands and binding sites

PRX · Adenosine-5'-monophosphate-propyl ester · ligand · 2 copies · chains A, B

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

Pockets

9 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	924	0.83	0.84	109	PRX
2	1113	0.82	0.83	125	PRX
3	106	0.53	0.83	24	empty
4	98	0.50	0.82	23	empty
5	130	0.48	0.79	17	empty

Interfaces

1 interface between chains.

A–B · 845 Å² buried · 15 hydrogen bonds · protein-protein

Compared structures

2P2Q · Acetyl-CoA Synthetase, R584E mutation · the same entry in another collection · chain A against A, TM-score 1.00
Q8ZKF6 · AlphaFold monomer V2.0 prediction for acetyl-coenzyme a synthetase (Q8ZKF6) · a predicted model of the same protein · 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 Q8ZKF6
Elsewhere: RCSB PDB 2P2Q · PDBe 2P2Q · UniProt Q8ZKF6

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