SMTL ID : 4af9.1

Crystal Structure of Epithelial Adhesin 1 A domain (Epa1A) from Candida glabrata in complex with Galb1-3Glc

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.50 Å

Oligo State

homo-dimer

Ligands

2 x BGC- GAL: beta-D-galactopyranose-(1-3)-beta-D-glucopyranose(Non-covalent)

BGC-GAL.1: 9 residues within 4Å: Chain A: D.155, D.156, W.189, R.217, E.218, Y.219, D.220 Chain B: Y.67 Ligands: CA.2 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:E.218, A:D.155, A:R.217, A:R.217, A:E.218, A:D.220 BGC-GAL.7: 9 residues within 4Å: Chain A: Y.67 Chain B: D.155, D.156, W.189, R.217, E.218, Y.219, D.220 Ligands: CA.8 6 PLIP interactions: 6 interactions with chain B Hydrogen bonds: B:E.218, B:D.155, B:R.217, B:R.217, B:E.218, B:E.218, B:D.220

2 x CA: CALCIUM ION(Non-covalent)

CA.2: 6 residues within 4Å: Chain A: D.155, D.156, N.216, E.218, D.220 Ligands: BGC-GAL.1 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:D.155, A:D.156, A:E.218, A:D.220 CA.8: 6 residues within 4Å: Chain B: D.155, D.156, N.216, E.218, D.220 Ligands: BGC-GAL.7 4 PLIP interactions: 4 interactions with chain B Metal complexes: B:D.155, B:D.156, B:E.218, B:D.220

6 x GOL: GLYCEROL(Non-functional Binders)

GOL.3: 6 residues within 4Å: Chain A: F.227, T.229, N.232, N.234, V.236, Y.242 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:T.229, A:N.232, A:N.234, A:N.234, A:Y.242 GOL.4: 7 residues within 4Å: Chain A: F.147, H.148, T.149, T.199, K.228, T.229, E.230 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:H.148, A:T.149 GOL.6: 0 residues within 4Å: (No contacts) No protein-ligand interaction detected (PLIP) GOL.9: 6 residues within 4Å: Chain B: F.227, T.229, N.232, N.234, V.236, Y.242 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:T.229, B:N.232, B:N.234, B:N.234 GOL.10: 7 residues within 4Å: Chain B: F.147, H.148, T.149, T.199, K.228, T.229, E.230 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:H.148, B:T.149 GOL.12: 0 residues within 4Å: (No contacts) No protein-ligand interaction detected (PLIP)

2 x PEG: DI(HYDROXYETHYL)ETHER(Non-functional Binders)

PEG.5: 6 residues within 4Å: Chain A: F.102, Y.103, H.116, L.117, P.118, M.129 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:Y.103 PEG.11: 6 residues within 4Å: Chain B: F.102, Y.103, H.116, L.117, P.118, M.129 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:Y.103

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Maestre-Reyna, M. et al., Structural Basis for Promiscuity and Specificity During Candida Glabrata Invasion of Host Epithelia. Proc.Natl.Acad.Sci.USA (2012)

Release Date

2012-10-17

Peptides

EPA1P: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

EPA1P

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