SMTL ID : 4al9.1 (1 other biounit)

Crystal structure of the lectin PA-IL from Pseudomonas aeruginoas in complex with melibiose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.75 Å

Oligo State

homo-tetramer

Ligands

4 x CA: CALCIUM ION(Non-covalent)

CA.1: 6 residues within 4Å: Chain A: Y.36, D.100, T.104, N.107, N.108 Ligands: GLA.2 3 PLIP interactions: 3 interactions with chain A Metal complexes: A:Y.36, A:D.100, A:T.104 CA.4: 6 residues within 4Å: Chain B: Y.36, D.100, T.104, N.107, N.108 Ligands: GLA.5 3 PLIP interactions: 3 interactions with chain B Metal complexes: B:Y.36, B:D.100, B:T.104 CA.6: 6 residues within 4Å: Chain C: Y.36, D.100, T.104, N.107, N.108 Ligands: GLA.7 3 PLIP interactions: 3 interactions with chain C Metal complexes: C:Y.36, C:D.100, C:T.104 CA.8: 6 residues within 4Å: Chain D: Y.36, D.100, T.104, N.107, N.108 Ligands: GLA.9 3 PLIP interactions: 3 interactions with chain D Metal complexes: D:Y.36, D:D.100, D:T.104

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

GLA.2: 9 residues within 4Å: Chain A: Y.36, H.50, Q.53, C.62, D.100, V.101, T.104, N.107 Ligands: CA.1 8 PLIP interactions: 8 interactions with chain A Hydrogen bonds: A:T.104, A:T.104, A:N.107 Water bridges: A:T.104, A:T.104, A:N.107, A:N.107 Salt bridges: A:H.50 GLA.5: 7 residues within 4Å: Chain B: Y.36, H.50, Q.53, D.100, T.104, N.107 Ligands: CA.4 7 PLIP interactions: 7 interactions with chain B Hydrogen bonds: B:D.100, B:T.104, B:N.107 Water bridges: B:H.50, B:P.51, B:N.107 Salt bridges: B:H.50 GLA.7: 9 residues within 4Å: Chain C: Y.36, H.50, P.51, Q.53, D.100, V.101, T.104, N.107 Ligands: CA.6 6 PLIP interactions: 6 interactions with chain C Hydrogen bonds: C:P.51, C:T.104, C:N.107 Water bridges: C:T.104, C:N.107 Salt bridges: C:H.50 GLA.9: 8 residues within 4Å: Chain D: Y.36, H.50, Q.53, D.100, V.101, T.104, N.107 Ligands: CA.8 9 PLIP interactions: 9 interactions with chain D Hydrogen bonds: D:T.104, D:T.104, D:N.107 Water bridges: D:H.50, D:P.51, D:T.104, D:T.104, D:G.106 Salt bridges: D:H.50

2 x EDO: 1,2-ETHANEDIOL(Non-functional Binders)

EDO.3: 8 residues within 4Å: Chain A: G.43, P.44, Q.45, T.79 Chain B: G.43, P.44, Q.45, T.79 8 PLIP interactions: 5 interactions with chain B, 3 interactions with chain A Hydrogen bonds: B:G.43, B:G.43, B:Q.45, B:Q.45, A:G.43, A:Q.45, A:Q.45 Water bridges: B:G.46 EDO.10: 8 residues within 4Å: Chain C: G.43, P.44, Q.45, T.79 Chain D: G.43, P.44, Q.45, T.79 9 PLIP interactions: 4 interactions with chain C, 5 interactions with chain D Hydrogen bonds: C:G.43, C:G.43, C:Q.45, C:Q.45, D:G.43, D:G.43, D:Q.45, D:Q.45 Water bridges: D:G.46

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Blanchard, B. et al., Secondary Sugar Binding Site Identified for Leca Lectin from Pseudomonas Aeruginosa. Proteins (2014)

Release Date

2013-03-20

Peptides

PA-I GALACTOPHILIC LECTIN: ABCD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

D
D

PA-I GALACTOPHILIC LECTIN

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