MolNFT v1 · #180162 · protein

Crystal structure of acetyl-CoA synthetase in complex with adenosine- 5'-ethylphosphate from coccidioides immitis rs

7KQZ · Acetyl-coenzyme a synthetase: “Crystal structure of acetyl-CoA synthetase in complex with adenosine- 5'-ethylphosphate from coccidioides…”. X-ray diffraction, 1 ligand (WTA), 3 pockets (best druggability 0.80). MolNFT v1 #180162 on…

PDB: 7KQZ
Type: protein
Length: 618 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acetyl-coenzyme a synthetase
EC: 6.2.1.1
UniProt: J3KJC6
Ligands: WTA
Pockets: 3 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acetyl-coenzyme a synthetase (EC 6.2.1.1)	protein	618	33% helix, 25% strand	J3KJC6

Ligands and binding sites

WTA · 5'-O-[(S)-ethoxy(hydroxy)phosphoryl]adenosine · ligand · chains A
EDO · 1,2-ethanediol · additive · 5 copies · chains A

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

Pockets

3 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	758	0.80	0.83	94	WTA
2	71	0.32	0.74	21	empty
3	72	0.29	0.73	20	empty

Compared structures

7KQZ · Crystal Structure of Acetyl-CoA synthetase in complex with adenosine-5'-ethylphosphate… · 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 J3KJC6
Elsewhere: RCSB PDB 7KQZ · PDBe 7KQZ · UniProt J3KJC6

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