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MolNFT v1 · #70487 · protein

Crystal structure analysis of maclura pomifera agglutinin complex with gal-beta-1,3-galnac

3LLZ · Agglutinin alpha chain: “Crystal structure analysis of maclura pomifera agglutinin complex with gal-beta-1,3-galnac”. X-ray diffraction, 2 ligands (NGA, GAL). MolNFT v1 #70487 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
3LLZ
Type
protein
Length
147 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Agglutinin alpha chain; Agglutinin beta-2 chain
UniProt
P18674, P18676
Ligands
NGA, GAL

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 63% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAgglutinin alpha chainprotein1330% helix, 65% strandP18674
BAgglutinin beta-2 chainprotein140% helix, 43% strandP18676

Ligands and binding sites

  • NGA · 2-acetamido-2-deoxy-beta-D-galactopyranose · sugar · chains A
  • GAL · beta-D-galactopyranose · sugar · chains A

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

Interfaces

1 interface between chains.

  • A–B · 519 Ų buried · 8 hydrogen bonds · protein-protein

Compared structures

  • 3LLZ · Crystal Structure Analysis of Maclura pomifera agglutinin complex with Gal-beta-1,3-GalNAc · the same entry in another collection · chain A against A, TM-score 1.00
  • P18674 · AlphaFold monomer V2.0 prediction for agglutinin alpha chain (P18674) · a predicted model of the same protein · chain A against A, TM-score 1.00
  • P18676 · AlphaFold monomer V2.0 prediction for agglutinin beta-2 chain (P18676) · a predicted model of the same protein · chain B against A, TM-score 0.24

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