MolNFT v1 · #180613 · protein

Crystal structure of N-(2-oxocyclobutyl) decanamide bound aiia-co

7L5F · N-acyl homoserine lactonase aiia: “Crystal structure of N-(2-oxocyclobutyl) decanamide bound aiia-co”. X-ray diffraction, 2 ligands (XNG, CO), 1 pocket (best druggability 0.63). MolNFT v1 #180613 on GenesisL1: 3D structure, binding…

PDB: 7L5F
Type: protein
Length: 250 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: N-acyl homoserine lactonase aiia
EC: 3.1.1.81
UniProt: P0CJ63
Ligands: XNG, CO
Pockets: 1 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	N-acyl homoserine lactonase aiia (EC 3.1.1.81)	protein	250	26% helix, 30% strand	P0CJ63

Ligands and binding sites

XNG · 4-(decanoylamino)butanoic acid · ligand · chains A
CO · Cobalt (II) ion · metal · 2 copies · chains A
GOL · Glycerol · additive · 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	234	0.63	0.82	29	XNG

Compared structures

7L5F · Crystal Structure of N-(2-oxocyclobutyl) decanamide Bound AiiA-Co · the same entry in another collection · chain A against A, TM-score 1.00
P0CJ63 · AlphaFold monomer V2.0 prediction for N-acyl homoserine lactonase aiia (P0CJ63) · 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 P0CJ63
Elsewhere: RCSB PDB 7L5F · PDBe 7L5F · UniProt P0CJ63

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