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MolNFT v1 · #112300 · protein

Structural basis of lewisb antigen binding by the helicobacter pylori adhesin baba

4ZH7 · Outer membrane protein-adhesin: “Structural basis of lewisb antigen binding by the helicobacter pylori adhesin baba”. X-ray diffraction, 3 ligands (GAL, FUC, NAG), 3 pockets (best druggability 0.46). MolNFT v1 #112300 on GenesisL1…

PDB
4ZH7
Type
protein
Length
485 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Outer membrane protein-adhesin
UniProt
Q9ZKV2
Ligands
GAL, FUC, NAG
Pockets
3 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AOuter membrane protein-adhesinprotein48552% helix, 17% strandQ9ZKV2

Ligands and binding sites

  • GAL · beta-D-galactopyranose · sugar · 2 copies · chains A
  • FUC · alpha-L-fucopyranose · sugar · 2 copies · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11790.460.7529empty
2640.360.7817empty
3550.320.7718empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 4ZH7 · Structural basis of Lewisb antigen binding by the Helicobacter pylori adhesin BabA · the same entry in another collection · chain A against A, TM-score 1.00

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