SMTL ID : 1oux.1

LecB (PA-LII) sugar-free

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.00 Å

Oligo State

homo-tetramer

Ligands

8 x CA: CALCIUM ION(Non-covalent)

CA.1: 6 residues within 4Å: Chain A: E.95, D.99, D.101, D.104 Ligands: CA.2, SO4.3 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:E.95, A:D.99, A:D.101, A:D.104, H2O.9 CA.2: 6 residues within 4Å: Chain A: N.21, D.101, N.103, D.104 Chain B: G.114 Ligands: CA.1 5 PLIP interactions: 1 interactions with chain B, 2 interactions with chain A, 2 Ligand-Water interactions Metal complexes: B:G.114, A:N.21, A:D.104, H2O.6, H2O.115 CA.4: 5 residues within 4Å: Chain B: E.95, D.99, D.101, D.104 Ligands: CA.5 5 PLIP interactions: 4 interactions with chain B, 1 Ligand-Water interactions Metal complexes: B:D.99, B:D.101, B:D.104, B:D.104, H2O.105 CA.5: 6 residues within 4Å: Chain A: G.114 Chain B: N.21, D.101, N.103, D.104 Ligands: CA.4 5 PLIP interactions: 3 interactions with chain B, 1 interactions with chain A, 1 Ligand-Water interactions Metal complexes: B:N.21, B:D.101, B:D.104, A:G.114, H2O.1 CA.6: 5 residues within 4Å: Chain C: E.95, D.99, D.101, D.104 Ligands: CA.7 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.7: 6 residues within 4Å: Chain C: N.21, D.101, N.103, D.104 Chain D: G.114 Ligands: CA.6 5 PLIP interactions: 2 interactions with chain C, 1 interactions with chain D, 2 Ligand-Water interactions Metal complexes: C:D.101, C:D.104, D:G.114, H2O.212, H2O.297 CA.8: 5 residues within 4Å: Chain D: E.95, D.99, D.101, D.104 Ligands: CA.9 5 PLIP interactions: 4 interactions with chain D, 1 Ligand-Water interactions Metal complexes: D:E.95, D:E.95, D:D.101, D:D.104, H2O.298 CA.9: 6 residues within 4Å: Chain C: G.114 Chain D: N.21, D.101, N.103, D.104 Ligands: CA.8 5 PLIP interactions: 2 interactions with chain D, 1 interactions with chain C, 2 Ligand-Water interactions Metal complexes: D:D.101, D:D.104, C:G.114, H2O.289, H2O.299

1 x SO4: SULFATE ION(Non-functional Binders)

SO4.3: 3 residues within 4Å: Chain A: S.22, S.23 Ligands: CA.1 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:S.23, A:S.23 Water bridges: A:D.99, A: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
B

C
C

D
D

hypothetical protein LecB

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