SMTL ID : 1gzt.1

Pseudomonas aeruginosa lectin II (PA-IIL) together with fucose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.30 Å

Oligo State

homo-tetramer

Ligands

4 x FUC: alpha-L-fucopyranose(Non-covalent)

FUC.1: 11 residues within 4Å: Chain A: N.22, S.23, S.24, E.96, D.97, D.100, D.102, D.105 Chain B: G.115 Ligands: CA.2, CA.3 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:D.97, A:D.102, A:D.102 Water bridges: A:D.100 FUC.4: 11 residues within 4Å: Chain A: G.115 Chain B: N.22, S.23, S.24, E.96, D.97, D.100, D.102, D.105 Ligands: CA.5, CA.6 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:D.97, B:D.102, B:D.102 Water bridges: B:S.24 FUC.7: 12 residues within 4Å: Chain C: N.22, S.23, S.24, E.96, D.97, G.98, D.100, D.102, D.105 Chain D: G.115 Ligands: CA.8, CA.9 3 PLIP interactions: 2 interactions with chain C, 1 interactions with chain D Hydrogen bonds: C:D.97, D:G.115 Water bridges: C:S.24 FUC.10: 12 residues within 4Å: Chain C: G.115 Chain D: N.22, S.23, S.24, E.96, D.97, G.98, D.100, D.102, D.105 Ligands: CA.11, CA.12 3 PLIP interactions: 1 interactions with chain C, 2 interactions with chain D Hydrogen bonds: C:G.115, D:D.97, D:D.105

8 x CA: CALCIUM ION(Non-covalent)

CA.2: 6 residues within 4Å: Chain A: E.96, D.100, D.102, D.105 Ligands: FUC.1, CA.3 5 PLIP interactions: 5 interactions with chain A Metal complexes: A:E.96, A:E.96, A:D.100, A:D.102, A:D.105 CA.3: 7 residues within 4Å: Chain A: N.22, D.102, N.104, D.105 Chain B: G.115 Ligands: FUC.1, CA.2 4 PLIP interactions: 3 interactions with chain A, 1 interactions with chain B Metal complexes: A:N.22, A:D.102, A:D.105, B:G.115 CA.5: 6 residues within 4Å: Chain B: E.96, D.100, D.102, D.105 Ligands: FUC.4, CA.6 5 PLIP interactions: 5 interactions with chain B Metal complexes: B:E.96, B:E.96, B:D.100, B:D.102, B:D.105 CA.6: 7 residues within 4Å: Chain A: G.115 Chain B: N.22, D.102, N.104, D.105 Ligands: FUC.4, CA.5 4 PLIP interactions: 1 interactions with chain A, 3 interactions with chain B Metal complexes: A:G.115, B:N.22, B:D.102, B:D.105 CA.8: 6 residues within 4Å: Chain C: E.96, D.100, D.102, D.105 Ligands: FUC.7, CA.9 5 PLIP interactions: 5 interactions with chain C Metal complexes: C:E.96, C:E.96, C:D.100, C:D.102, C:D.105 CA.9: 7 residues within 4Å: Chain C: N.22, D.102, N.104, D.105 Chain D: G.115 Ligands: FUC.7, CA.8 4 PLIP interactions: 1 interactions with chain D, 3 interactions with chain C Metal complexes: D:G.115, C:N.22, C:D.102, C:D.105 CA.11: 6 residues within 4Å: Chain D: E.96, D.100, D.102, D.105 Ligands: FUC.10, CA.12 5 PLIP interactions: 5 interactions with chain D Metal complexes: D:E.96, D:E.96, D:D.100, D:D.102, D:D.105 CA.12: 7 residues within 4Å: Chain C: G.115 Chain D: N.22, D.102, N.104, D.105 Ligands: FUC.10, CA.11 4 PLIP interactions: 3 interactions with chain D, 1 interactions with chain C Metal complexes: D:N.22, D:D.102, D:D.105, C:G.115

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Mitchell, E. et al., Structural Basis for Oligosaccharide-Mediated Adhesion of Pseudomonas Aeruginosa in the Lungs of Cystic Fibrosis Patients. Nat.Struct.Biol. (2002)

Release Date

2002-11-19

Peptides

FUCOSE-SPECIFIC LECTIN: ABCD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

D
D

FUCOSE-SPECIFIC LECTIN

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