SMTL ID : 6xac.1

Galactose-bound structure of Marinomonas primoryensis PA14 carbohydrate-binding domain

Coordinates

PDB Format Compare

Method

X-RAY DIFFRACTION 1.22 Å

Oligo State

monomer

Ligands

1 x GAL: beta-D-galactopyranose(Non-covalent)

GAL.1: 9 residues within 4Å: Chain A: D.108, D.109, Q.127, S.128, Q.154, G.155, G.156, D.157 Ligands: CA.2 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:D.109, A:Q.154, A:G.155, A:D.157 Water bridges: A:S.128

7 x CA: CALCIUM ION(Non-covalent)(Non-functional Binders)

CA.2: 6 residues within 4Å: Chain A: D.108, D.109, D.153, G.155, D.157 Ligands: GAL.1 5 PLIP interactions: 5 interactions with chain A Metal complexes: A:D.108, A:D.109, A:D.153, A:G.155, A:D.157 CA.3: 3 residues within 4Å: Chain A: Q.25, D.85, Q.154 5 PLIP interactions: 2 interactions with chain A, 3 Ligand-Water interactions Metal complexes: A:D.85, A:Q.154, H2O.6, H2O.8, H2O.8 CA.4: 2 residues within 4Å: Chain A: S.71, S.74 5 PLIP interactions: 2 interactions with chain A, 3 Ligand-Water interactions Metal complexes: A:S.71, A:S.74, H2O.8, H2O.8, H2O.9 CA.5: 3 residues within 4Å: Chain A: G.62, D.79, P.80 5 PLIP interactions: 3 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:G.62, A:D.79, A:P.80, H2O.2, H2O.4 CA.6: 3 residues within 4Å: Chain A: D.5, T.7, D.9 3 PLIP interactions: 3 interactions with chain A Metal complexes: A:D.5, A:T.7, A:D.9 CA.7: 3 residues within 4Å: Chain A: Y.20, V.36, K.39 6 PLIP interactions: 3 interactions with chain A, 3 Ligand-Water interactions Metal complexes: A:Y.20, A:V.36, A:K.39, H2O.7, H2O.8, H2O.8 CA.8: 0 residues within 4Å: (No contacts) No protein-ligand interaction detected (PLIP)

Links

RCSB   PDBe   PDBe-KB   PDBj   PDBsum   CATH   PLIP

Citation

Guo, S. et al., Structural Basis of Ligand Selectivity by a Bacterial Adhesin Lectin Involved in Multispecies Biofilm Formation. Mbio (2021)

Release Date

2021-06-02

Peptides

Antifreeze protein: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Antifreeze protein