MolNFT v1 · #97769 · protein

Crystal structure of a gnat superfamily acetyltransferase PA4794 in complex with cephalosporin C

4KOY · Uncharacterized protein: “Crystal structure of a gnat superfamily acetyltransferase PA4794 in complex with cephalosporin C”. X-ray diffraction, 3 ligands (CSC, ZN, SO4), 1 pocket (best druggability 0.68). MolNFT v1 #97769 on…

PDB: 4KOY
Type: protein
Length: 159 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Uncharacterized protein
UniProt: Q9HV14
Ligands: CSC, ZN, SO4
Pockets: 1 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 37% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Uncharacterized protein	protein	159	34% helix, 37% strand	Q9HV14

Ligands and binding sites

CSC · 4-(3-acetoxymethyl-2-carboxy-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-en-7-ylcarbamoyl)-1-carboxy-butyl-ammonium · ligand · chains A
ZN · Zinc ion · metal · 3 copies · chains A
SO4 · Sulfate ion · ion · 2 copies · 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

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	314	0.68	0.82	38	SO4, EDO, CSC

Compared structures

4KOY · Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with… · 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 Q9HV14
Elsewhere: RCSB PDB 4KOY · PDBe 4KOY · UniProt Q9HV14

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