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MolNFT v1 · #84812 · protein

Structure of the lectin bambl from burkholderia ambifaria in complex with blood group H type 1 tetrasaccharide

3ZW2 · Bambl lectin: “Structure of the lectin bambl from burkholderia ambifaria in complex with blood group H type 1 tetrasaccharide”. X-ray diffraction, 4 ligands (GAL, FUC, NAG), 1 pocket (best druggability 0.73). MolNFT v1 #84812 on…

PDB
3ZW2
Type
protein
Length
261 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bambl lectin
UniProt
Q0B4G1
Ligands
GAL, FUC, NAG, GLA
Pockets
1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 68% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CBambl lectinprotein870% helix, 68% strandQ0B4G1

Ligands and binding sites

  • GAL · beta-D-galactopyranose · sugar · 6 copies · chains A, B, C
  • FUC · alpha-L-fucopyranose · sugar · 6 copies · chains A, B, C
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A, B, C
  • GLA · alpha-D-galactopyranose · sugar · chains C

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15510.730.8255empty

Interfaces

3 interfaces between chains.

  • A–C · 729 Ų buried · 8 hydrogen bonds · protein-protein
  • B–C · 713 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 706 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 3ZW2 · Structure of the lectin Bambl from Burkholderia ambifaria in complex with blood group H… · the same entry in another collection · chain A against A, TM-score 1.00

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