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

Structural Insight into Divalent Galactoside Binding to Pseudomonas aeruginosa lectin LecA

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.19 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: 4J9.2 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: 4J9.2 3 PLIP interactions: 3 interactions with chain B Metal complexes: B:Y.36, B:D.100, B:T.104 CA.5: 6 residues within 4Å: Chain C: Y.36, D.100, T.104, N.107, N.108 Ligands: 4J9.4 3 PLIP interactions: 3 interactions with chain C Metal complexes: C:Y.36, C:D.100, C:T.104 CA.6: 6 residues within 4Å: Chain D: Y.36, D.100, T.104, N.107, N.108 Ligands: 4J9.4 3 PLIP interactions: 3 interactions with chain D Metal complexes: D:Y.36, D:D.100, D:T.104

2 x 4J9: (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diylmethanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol](Non-covalent)

4J9.2: 31 residues within 4Å: Chain A: Y.36, G.37, P.38, Q.40, W.42, D.47, H.50, Q.53, C.62, D.100, V.101, T.104, N.107, N.108 Chain B: Y.36, G.37, P.38, Q.40, W.42, D.47, E.49, H.50, P.51, Q.53, C.62, D.100, V.101, T.104, N.107 Ligands: CA.1, CA.3 29 PLIP interactions: 14 interactions with chain A, 15 interactions with chain B Hydrogen bonds: A:Y.36, A:Q.40, A:Q.40, A:Q.53, A:D.100, A:T.104, A:T.104, A:N.107, B:Y.36, B:Y.36, B:Y.36, B:Q.40, B:Q.53, B:T.104, B:T.104, B:N.107 Water bridges: A:Y.36, A:D.47, A:H.50, A:H.50, A:P.51, B:Q.40, B:E.49, B:H.50, B:P.51, B:T.104, B:N.107 Salt bridges: A:H.50, B:H.50 4J9.4: 31 residues within 4Å: Chain C: Y.36, G.37, P.38, Q.40, W.42, D.47, H.50, Q.53, C.62, D.100, V.101, T.104, N.107, N.108 Chain D: Y.36, G.37, P.38, Q.40, W.42, D.47, E.49, H.50, P.51, Q.53, C.62, D.100, V.101, T.104, N.107 Ligands: CA.5, CA.6 25 PLIP interactions: 15 interactions with chain D, 10 interactions with chain C Hydrogen bonds: D:Y.36, D:Q.40, D:H.50, D:Q.53, D:T.104, D:N.107, C:Q.40, C:H.50, C:Q.53, C:T.104, C:T.104, C:N.107 Water bridges: D:Y.36, D:Y.36, D:Q.40, D:E.49, D:H.50, D:P.51, D:T.104, D:N.107, C:Y.36, C:H.50, C:P.51 Salt bridges: D:H.50, C:H.50

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Visini, R. et al., Structural Insight into Multivalent Galactoside Binding to Pseudomonas aeruginosa Lectin LecA. Acs Chem.Biol. (2015)

Release Date

2015-09-09

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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