MolNFT v1 · #138099 · protein

The structure of a CoA-dependent acyl-homoserine lactone synthase, bjai, with the adduct of sah and IV-CoA

5W8E · Autoinducer synthase: “The structure of a CoA-dependent acyl-homoserine lactone synthase, bjai, with the adduct of sah and IV-CoA”. X-ray diffraction, 3 ligands (SXZ, ADE, CL), 1 pocket (best druggability 0.65). MolNFT v1 #138099 on…

PDB: 5W8E
Type: protein
Length: 213 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Autoinducer synthase
UniProt: A0A0N0C224
Ligands: SXZ, ADE, CL
Pockets: 1 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Autoinducer synthase	protein	213	36% helix, 26% strand	A0A0N0C224

Ligands and binding sites

SXZ · (2S)-4-({[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)-2-[(3-methylbutanoyl)amino]butanoic acid · ligand · chains A
ADE · Adenine · ligand · chains A
CL · Chloride ion · ion · 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	247	0.65	0.82	28	SXZ

Compared structures

5W8E · The structure of a CoA-dependent acyl-homoserine lactone synthase, BjaI, with the adduct… · 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 A0A0N0C224
Elsewhere: RCSB PDB 5W8E · PDBe 5W8E · UniProt A0A0N0C224

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