MolNFT v1 · #179671 · protein

Crystal structure of acetyl-CoA synthetase in complex with adenosine- 5'-propylphosphate from coccidioides posadasii C735

7KCP · Acetyl-coenzyme a synthetase: “Crystal structure of acetyl-CoA synthetase in complex with adenosine- 5'-propylphosphate from coccidioides…”. X-ray diffraction, 2 ligands (PRX, MG), 2 pockets (best druggability 0.80). MolNFT v1…

PDB: 7KCP
Type: protein
Length: 594 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: C5PGB4
Ligands: PRX, MG
Pockets: 2 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acetyl-coenzyme a synthetase (EC 6.2.1.1)	protein	594	34% helix, 24% strand	C5PGB4

Ligands and binding sites

PRX · Adenosine-5'-monophosphate-propyl ester · ligand · chains A
MG · Magnesium ion · metal · chains A
EDO · 1,2-ethanediol · additive · 11 copies · chains A

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

Pockets

2 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	718	0.80	0.84	73	PRX
2	53	0.33	0.78	17	empty

Compared structures

7KCP · Crystal structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate… · 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 C5PGB4
Elsewhere: RCSB PDB 7KCP · PDBe 7KCP · UniProt C5PGB4

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