SMTL ID : 2wr9.1 (1 other biounit)

CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA LECTIN (BCLA) COMPLEXED WITH AMAN1-3MAN DISACCHARIDE

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.75 Å

Oligo State

homo-dimer

Ligands

1 x MAN- MAN: alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose(Non-covalent)

MAN-MAN.1: 14 residues within 4Å: Chain A: N.28, A.29, A.30, E.31, Q.33, E.109, D.110, H.112, D.113, D.115, D.118 Chain B: G.128 Ligands: CA.3, CA.4 6 PLIP interactions: 5 interactions with chain A, 1 interactions with chain B Hydrogen bonds: A:A.30, A:E.31, A:Q.33, A:D.113, A:D.118, B:G.128

4 x CA: CALCIUM ION(Non-covalent)

CA.2: 6 residues within 4Å: Chain A: G.128 Chain B: N.28, D.115, N.117, D.118 Ligands: CA.5 2 PLIP interactions: 2 interactions with chain B Metal complexes: B:N.28, B:D.118 CA.3: 7 residues within 4Å: Chain A: N.28, D.115, N.117, D.118 Chain B: G.128 Ligands: MAN-MAN.1, CA.4 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:N.28, A:D.115, A:D.115, A:D.118 CA.4: 7 residues within 4Å: Chain A: E.109, D.110, D.113, D.115, D.118 Ligands: MAN-MAN.1, CA.3 5 PLIP interactions: 5 interactions with chain A Metal complexes: A:E.109, A:E.109, A:D.113, A:D.115, A:D.118 CA.5: 6 residues within 4Å: Chain B: E.109, D.110, D.113, D.115, D.118 Ligands: CA.2 5 PLIP interactions: 4 interactions with chain B, 1 Ligand-Water interactions Metal complexes: B:E.109, B:D.113, B:D.115, B:D.118, H2O.5

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

SO4.6: 6 residues within 4Å: Chain B: A.29, A.30, E.31, D.110, H.112, D.118 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:A.30, B:E.31 Salt bridges: B:H.112 SO4.7: 4 residues within 4Å: Chain B: H.34, K.36, Y.48 Ligands: SO4.9 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:Y.48, B:Y.48 Water bridges: B:S.74 Salt bridges: B:H.34, B:K.36 SO4.8: 3 residues within 4Å: Chain B: H.49, K.50, R.58 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:K.50 Salt bridges: B:H.49, B:R.58 SO4.9: 3 residues within 4Å: Chain B: H.34, K.50 Ligands: SO4.7 3 PLIP interactions: 3 interactions with chain B Water bridges: B:Q.32 Salt bridges: B:H.34, B:K.50

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Lameignere, E. et al., Structural Basis of the Affinity for Oligomannosides and Analogs Displayed by Bc2L-A, a Burkholderia Cenocepacia Soluble Lectin. Glycobiology (2010)

Release Date

2009-09-15

Peptides

LECTIN: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

LECTIN

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