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Crystal structure of the LecB lectin from Pseudomonas aeruginosa strain PA7 in complex with lewis a tetrasaccharide

Analyse Crystal structure of the LecB lectin from Pseudomonas aeruginosa strain PA7 in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4UT5
Type: protein
Length: 456 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.75
Source: PSEUDOMONAS AERUGINOSA
Molecule: Lecb lectin
UniProt: A6V267
Ligands: GAL, NAG, FUC, GLA, CA
Pockets: 2 · best druggability 0.33

Structure

x-ray diffraction · resolution 1.75 · 1 distinct chain · 0% helix, 71% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B, C, D	Lecb lectin	protein	114	0% helix, 71% strand	A6V267

Ligands and binding sites

GAL · beta-D-galactopyranose · sugar · 6 copies · chains A, B, C, D
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B, C, D
FUC · alpha-L-fucopyranose · sugar · 4 copies · chains A, B, C, D
GLA · alpha-D-galactopyranose · sugar · 2 copies · chains C
CA · Calcium ion · metal · 8 copies · chains A, B, C, D

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	102	0.33	0.72	19	empty
2	79	0.29	0.72	18	empty

Interfaces

6 interfaces between chains.

A–B · 1339 Å² buried · 23 hydrogen bonds · protein-protein
C–D · 1314 Å² buried · 23 hydrogen bonds · protein-protein
B–C · 465 Å² buried · 10 hydrogen bonds · protein-protein
A–D · 465 Å² buried · 9 hydrogen bonds · protein-protein
A–C · 233 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

4UT5 · Crystal structure of the lecb lectin from pseudomonas aeruginosa strain PA7 in complex… · 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 A6V267
Elsewhere: RCSB PDB 4UT5 · PDBe 4UT5 · UniProt A6V267

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