SMTL ID : 3zyf.1 (1 other biounit)

CRYSTAL STRUCTURE OF PA-IL LECTIN COMPLEXED WITH NPG AT 1.9 A RESOLUTION

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.94 Å

Oligo State

homo-dimer

Ligands

2 x CA: CALCIUM ION(Non-covalent)

CA.1: 6 residues within 4Å: Chain A: Y.37, D.101, T.105, N.108, N.109 Ligands: 147.2 3 PLIP interactions: 3 interactions with chain A Metal complexes: A:Y.37, A:D.101, A:T.105 CA.3: 6 residues within 4Å: Chain B: Y.37, D.101, T.105, N.108, N.109 Ligands: 147.4 3 PLIP interactions: 3 interactions with chain B Metal complexes: B:Y.37, B:D.101, B:T.105

2 x 147: 4-nitrophenyl beta-D-galactopyranoside(Non-covalent)

147.2: 8 residues within 4Å: Chain A: Y.37, H.51, Q.54, D.101, V.102, T.105, N.108 Ligands: CA.1 8 PLIP interactions: 8 interactions with chain A Hydrogen bonds: A:T.105, A:T.105, A:N.108 Water bridges: A:H.51, A:T.105, A:N.108 Salt bridges: A:H.51 pi-Stacking: A:H.51 147.4: 8 residues within 4Å: Chain B: Y.37, H.51, Q.54, D.101, V.102, T.105, N.108 Ligands: CA.3 7 PLIP interactions: 7 interactions with chain B Hydrogen bonds: B:D.101, B:N.108 Water bridges: B:H.51, B:T.105, B:N.108 Salt bridges: B:H.51 pi-Stacking: B:H.51

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Kadam, R.U. et al., A Glycopeptide Dendrimer Inhibitor of the Galactose-Specific Lectin Leca and of Pseudomonas Aeruginosa Biofilms. Angew.Chem.Int.Ed.Engl. (2011)

Release Date

2011-09-21

Peptides

PA-I GALACTOPHILIC LECTIN: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

PA-I GALACTOPHILIC LECTIN

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