SMTL ID : 4f8o.1

X-ray structure of PsaA from Yersinia pestis, in complex with lactose and AEBSF

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.90 Å

Oligo State

monomer

Ligands

1 x BGC- GAL: beta-D-galactopyranose-(1-4)-beta-D-glucopyranose(Non-covalent)

BGC-GAL.1: 9 residues within 4Å: Chain A: R.41, V.71, D.74, N.76, Y.78, N.80, Y.113, F.115, S.120 9 PLIP interactions: 9 interactions with chain A Hydrogen bonds: A:D.74, A:Y.78, A:Y.78, A:R.41, A:R.41, A:D.74, A:N.76, A:N.76, A:N.76, A:N.80, A:S.120, A:S.120

2 x GAI: GUANIDINE(Non-covalent)

GAI.2: 7 residues within 4Å: Chain A: G.46, D.47, S.48, K.49, G.50, Y.52, Y.60 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:K.49, A:K.49, A:Y.60 GAI.3: 1 residues within 4Å: Chain A: K.135 No protein-ligand interaction detected (PLIP)

1 x CL: CHLORIDE ION(Non-functional Binders)

CL.4: 5 residues within 4Å: Chain A: Y.64, S.65, W.70, W.77 Ligands: AES.5 Ligand excluded by PLIP

1 x AES: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE(Covalent)

AES.5: 9 residues within 4Å: Chain A: G.50, G.51, Y.52, G.62, L.63, Y.64, W.70, W.77 Ligands: CL.4 2 PLIP interactions: 2 interactions with chain A Hydrophobic interactions: A:Y.52 Water bridges: A:Y.64

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Bao, R. et al., Structural basis for the specific recognition of dual receptors by the homopolymeric pH 6 antigen (Psa) fimbriae of Yersinia pestis. Proc.Natl.Acad.Sci.USA (2013)

Release Date

2013-05-22

Peptides

pH 6 antigen: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

pH 6 antigen

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