SMTL ID : 2wyf.1 (5 other biounits)

Crystal structure of PA-IL lectin complexed with aGal12bGal-O-Met at 2.4 A resolution

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.40 Å

Oligo State

homo-dimer

Ligands

1 x MBG- GLA: alpha-D-galactopyranose-(1-2)-methyl beta-D-galactopyranoside(Non-covalent)

MBG-GLA.1: 9 residues within 4Å: Chain A: Y.36, H.50, Q.53, C.62, D.100, V.101, T.104, N.107 Ligands: CA.2 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:T.104, A:T.104, A:N.107, A:Q.53, A:Q.53 Water bridges: A:G.37, A:H.50, A:P.51, A:Q.53 Salt bridges: A:H.50

2 x CA: CALCIUM ION(Non-covalent)

CA.2: 6 residues within 4Å: Chain A: Y.36, D.100, T.104, N.107, N.108 Ligands: MBG-GLA.1 3 PLIP interactions: 3 interactions with chain A Metal complexes: A:Y.36, A:D.100, A:T.104 CA.3: 6 residues within 4Å: Chain B: Y.36, D.100, T.104, N.107, N.108 Ligands: GLA.4 3 PLIP interactions: 3 interactions with chain B Metal complexes: B:Y.36, B:D.100, B:T.104

1 x GLA: alpha-D-galactopyranose(Non-covalent)

GLA.4: 8 residues within 4Å: Chain B: Y.36, H.50, Q.53, D.100, V.101, T.104, N.107 Ligands: CA.3 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:T.104, B:N.107 Water bridges: B:T.104, B:N.107 Salt bridges: B:H.50

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Nurisso, A. et al., Role of Water Molecules in Structure and Energetics of Pseudomonas Aeruginosa Lectin I Interacting with Disaccharides. J.Biol.Chem. (2010)

Release Date

2010-04-21

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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