SMTL ID : 1ovp.1

LecB (PA-LII) in complex with fructose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.40 Å

Oligo State

homo-tetramer

Ligands

4 x BDF: beta-D-fructopyranose(Non-covalent)

BDF.1: 12 residues within 4Å: Chain A: N.21, S.22, S.23, E.95, D.96, G.97, D.99, D.101, D.104 Chain C: G.114 Ligands: CA.2, CA.3 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:S.23, A:D.96, A:D.101, A:D.104 Water bridges: A:D.99 BDF.4: 12 residues within 4Å: Chain B: N.21, S.22, S.23, E.95, D.96, G.97, D.99, D.101, D.104 Chain D: G.114 Ligands: CA.5, CA.6 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:S.23, B:D.96, B:D.101, B:D.104 Water bridges: B:D.99 BDF.7: 12 residues within 4Å: Chain A: G.114 Chain C: N.21, S.22, S.23, E.95, D.96, G.97, D.99, D.101, D.104 Ligands: CA.8, CA.9 4 PLIP interactions: 4 interactions with chain C Hydrogen bonds: C:S.23, C:D.96, C:D.101 Water bridges: C:D.99 BDF.10: 12 residues within 4Å: Chain B: G.114 Chain D: N.21, S.22, S.23, E.95, D.96, G.97, D.99, D.101, D.104 Ligands: CA.11, CA.12 4 PLIP interactions: 4 interactions with chain D Hydrogen bonds: D:S.23, D:D.96, D:D.101 Water bridges: D:D.99

8 x CA: CALCIUM ION(Non-covalent)

CA.2: 6 residues within 4Å: Chain A: E.95, D.99, D.101, D.104 Ligands: BDF.1, CA.3 5 PLIP interactions: 5 interactions with chain A Metal complexes: A:E.95, A:E.95, A:D.99, A:D.101, A:D.104 CA.3: 7 residues within 4Å: Chain A: N.21, D.101, N.103, D.104 Chain C: G.114 Ligands: BDF.1, CA.2 4 PLIP interactions: 3 interactions with chain A, 1 interactions with chain C Metal complexes: A:N.21, A:D.101, A:D.104, C:G.114 CA.5: 6 residues within 4Å: Chain B: E.95, D.99, D.101, D.104 Ligands: BDF.4, CA.6 5 PLIP interactions: 5 interactions with chain B Metal complexes: B:E.95, B:E.95, B:D.99, B:D.101, B:D.104 CA.6: 7 residues within 4Å: Chain B: N.21, D.101, N.103, D.104 Chain D: G.114 Ligands: BDF.4, CA.5 4 PLIP interactions: 3 interactions with chain B, 1 interactions with chain D Metal complexes: B:N.21, B:D.101, B:D.104, D:G.114 CA.8: 6 residues within 4Å: Chain C: E.95, D.99, D.101, D.104 Ligands: BDF.7, CA.9 5 PLIP interactions: 5 interactions with chain C Metal complexes: C:E.95, C:E.95, C:D.99, C:D.101, C:D.104 CA.9: 7 residues within 4Å: Chain A: G.114 Chain C: N.21, D.101, N.103, D.104 Ligands: BDF.7, CA.8 4 PLIP interactions: 1 interactions with chain A, 3 interactions with chain C Metal complexes: A:G.114, C:N.21, C:D.101, C:D.104 CA.11: 6 residues within 4Å: Chain D: E.95, D.99, D.101, D.104 Ligands: BDF.10, CA.12 5 PLIP interactions: 5 interactions with chain D Metal complexes: D:E.95, D:E.95, D:D.99, D:D.101, D:D.104 CA.12: 7 residues within 4Å: Chain B: G.114 Chain D: N.21, D.101, N.103, D.104 Ligands: BDF.10, CA.11 4 PLIP interactions: 1 interactions with chain B, 3 interactions with chain D Metal complexes: B:G.114, D:N.21, D:D.101, D:D.104

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Loris, R. et al., Structural Basis of Carbohydrate Recognition by the Lectin LecB from Pseudomonas aeruginosa. J.MOL.BIOL. (2003)

Release Date

2003-09-09

Peptides

hypothetical protein LecB: ABCD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

C
A

D
A

hypothetical protein LecB

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