SMTL ID : 2vnv.1 (2 other biounits)

Crystal structure of BclA lectin from burkholderia cenocepacia in complex with alpha-methyl-mannoside at 1.7 Angstrom resolution

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.70 Å

Oligo State

homo-dimer

Ligands

2 x MMA: methyl alpha-D-mannopyranoside(Non-covalent)

MMA.1: 14 residues within 4Å: Chain A: N.29, A.30, A.31, E.32, Q.34, E.110, D.111, H.113, D.114, D.116, D.119 Chain B: G.129 Ligands: CA.2, CA.3 8 PLIP interactions: 7 interactions with chain A, 1 interactions with chain B Hydrogen bonds: A:A.31, A:E.32, A:Q.34, A:H.113, A:D.114, A:D.119, B:G.129 Salt bridges: A:H.113 MMA.5: 14 residues within 4Å: Chain A: G.129 Chain B: N.29, A.30, A.31, E.32, Q.34, E.110, D.111, H.113, D.114, D.116, D.119 Ligands: CA.6, CA.7 8 PLIP interactions: 7 interactions with chain B, 1 interactions with chain A Hydrogen bonds: B:A.31, B:E.32, B:Q.34, B:H.113, B:D.114, B:D.119, A:G.129 Salt bridges: B:H.113

4 x CA: CALCIUM ION(Non-covalent)

CA.2: 6 residues within 4Å: Chain A: E.110, D.114, D.116, D.119 Ligands: MMA.1, CA.3 5 PLIP interactions: 5 interactions with chain A Metal complexes: A:E.110, A:E.110, A:D.114, A:D.116, A:D.119 CA.3: 7 residues within 4Å: Chain A: N.29, D.116, N.118, D.119 Chain B: G.129 Ligands: MMA.1, CA.2 4 PLIP interactions: 3 interactions with chain A, 1 interactions with chain B Metal complexes: A:N.29, A:D.116, A:D.119, B:G.129 CA.6: 6 residues within 4Å: Chain B: E.110, D.114, D.116, D.119 Ligands: MMA.5, CA.7 5 PLIP interactions: 5 interactions with chain B Metal complexes: B:E.110, B:E.110, B:D.114, B:D.116, B:D.119 CA.7: 7 residues within 4Å: Chain A: G.129 Chain B: N.29, D.116, N.118, D.119 Ligands: MMA.5, CA.6 4 PLIP interactions: 3 interactions with chain B, 1 interactions with chain A Metal complexes: B:N.29, B:D.116, B:D.119, A:G.129

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

SO4.4: 3 residues within 4Å: Chain A: H.50, K.51, R.59 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:K.51, A:K.51 Salt bridges: A:H.50, A:R.59 SO4.8: 3 residues within 4Å: Chain B: H.50, K.51, R.59 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:K.51 Water bridges: B:Y.49 Salt bridges: B:H.50, B:R.59

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Lameignere, E. et al., Structural Basis for Mannose Recognition by a Lectin from Opportunistic Bacteria Burkholderia Cenocepacia. Biochem.J. (2008)

Release Date

2008-04-08

Peptides

BCLA: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

BCLA

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