SMTL ID : 4cow.1

Crystal Structure of Epithelial Adhesin 6 A domain (Epa6A) from Candida glabrata in complex with the T-antigen (Galb1-3GalNAc)

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.15 Å

Oligo State

monomer

Ligands

1 x NGA- GAL: beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose(Non-covalent)

NGA-GAL.1: 11 residues within 4Å: Chain A: W.75, G.114, C.115, D.160, D.161, W.194, R.222, D.223, N.224, D.225 Ligands: CA.2 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:D.160, A:R.222, A:R.222, A:D.223, A:D.223, A:N.224, A:D.225, A:G.114, A:C.115, A:R.222, A:D.223, A:N.224 Hydrophobic interactions: A:W.194

1 x CA: CALCIUM ION(Non-covalent)

CA.2: 6 residues within 4Å: Chain A: D.160, D.161, N.221, D.223, D.225 Ligands: NGA-GAL.1 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:D.160, A:D.161, A:D.223, A:D.225

1 x ACT: ACETATE ION(Non-covalent)

ACT.3: 4 residues within 4Å: Chain A: S.63, Y.64, D.65, H.92 8 PLIP interactions: 8 interactions with chain A Hydrophobic interactions: A:D.65 Hydrogen bonds: A:S.63, A:D.65 Water bridges: A:D.65, A:H.92, A:R.93 Salt bridges: A:H.92, A:R.93

2 x GOL: GLYCEROL(Non-functional Binders)

GOL.4: 4 residues within 4Å: Chain A: Y.142, R.178, A.182, R.216 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:R.178, A:A.182, A:R.216 Water bridges: A:A.182, A:D.183, A:R.216 GOL.5: 5 residues within 4Å: Chain A: V.193, W.194, G.195, S.196, R.222 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:Y.79, A:G.195, A:R.222 Water bridges: A:Q.197, A:R.222

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Diderrich, R. et al., Structural Hotspots Determine Functional Diversity of the Candida Glabrata Epithelial Adhesin Family. J.Biol.Chem. (2015)

Release Date

2015-02-18

Peptides

EPITHELIAL ADHESIN 6: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

EPITHELIAL ADHESIN 6

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