MolNFT v1 · #114688 · protein

Structure of pslg from pseudomonas aeruginosa in complex with mannose

5BXA: “Structure of pslg from pseudomonas aeruginosa in complex with mannose”. X-ray diffraction, 3 ligands (MAN, CD, CL), 4 pockets (best druggability 0.62). MolNFT v1 #114688 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5BXA
Type: protein
Length: 414 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Pslg
UniProt: Q9I1N2
Ligands: MAN, CD, CL
Pockets: 4 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 26% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Pslg	protein	414	32% helix, 26% strand	Q9I1N2

Ligands and binding sites

MAN · alpha-D-mannopyranose · sugar · 4 copies · chains A
CD · Cadmium ion · metal · 4 copies · chains A
CL · Chloride ion · ion · chains A
EDO · 1,2-ethanediol · additive · chains A

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

Pockets

4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	401	0.62	0.77	38	CD, MAN, EDO
2	100	0.56	0.85	22	empty
3	81	0.40	0.78	19	MAN
4	77	0.33	0.75	20	CD

Compared structures

5BXA · Structure of PslG from Pseudomonas aeruginosa in complex with mannose · 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 Q9I1N2
Elsewhere: RCSB PDB 5BXA · PDBe 5BXA · UniProt Q9I1N2

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