SMTL ID : 4gk9.1

Crystal structure of Burkholderia oklahomensis agglutinin (BOA) bound to 3a,6a-mannopentaose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.90 Å

Oligo State

monomer

Ligands

4 x BMA- MAN- MAN- MAN- MAN: alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose

BMA-MAN-MAN-MAN-MAN.1: 9 residues within 4Å: Chain A: Q.154, W.155, G.156, G.157, R.239, E.267, G.268, P.269, I.270 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:R.239, A:R.239, A:R.239 BMA-MAN-MAN-MAN-MAN.2: 9 residues within 4Å: Chain A: R.39, E.67, G.68, P.69, I.70, Q.87, W.88, G.89, G.90 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:R.39, A:R.39, A:R.39 BMA-MAN-MAN-MAN-MAN.3: 10 residues within 4Å: Chain A: R.173, G.199, E.200, G.201, P.202, I.203, Q.220, W.221, G.222, G.223 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:R.173, A:R.173, A:R.173 Water bridges: A:W.221 BMA-MAN-MAN-MAN-MAN.4: 9 residues within 4Å: Chain A: Q.20, W.21, G.22, G.23, R.106, E.134, G.135, P.136, I.137 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:R.106, A:R.106, A:R.106

1 x NA: SODIUM ION(Non-functional Binders)

NA.5: 2 residues within 4Å: Chain A: G.241, N.243 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:G.241, A:N.243 Water bridges: A:N.243

1 x IMD: IMIDAZOLE(Non-covalent)

IMD.6: 5 residues within 4Å: Chain A: E.152, T.257, H.259, R.273, A.274 2 PLIP interactions: 2 interactions with chain A Water bridges: A:R.273, A:M.275

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Whitley, M.J. et al., Burkholderia oklahomensis agglutinin is a canonical two-domain OAA-family lectin: structures, carbohydrate binding and anti-HIV activity. Febs J. (2013)

Release Date

2013-05-08

Peptides

agglutinin (BOA): A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

agglutinin (BOA)

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