SMTL ID : 4afb.1

Crystal Structure of subtype-switched Epithelial Adhesin 1 to 3 A domain (Epa1to3A) from Candida glabrata in complex with glycerol

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.90 Å

Oligo State

homo-dimer

Ligands

2 x CA: CALCIUM ION(Non-covalent)

CA.1: 7 residues within 4Å: Chain A: D.155, D.156, N.216, I.217, G.218, D.220 Ligands: GOL.2 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:D.155, A:D.156, A:G.218, A:D.220 CA.6: 7 residues within 4Å: Chain B: D.155, D.156, N.216, I.217, G.218, D.220 Ligands: GOL.7 4 PLIP interactions: 4 interactions with chain B Metal complexes: B:D.155, B:D.156, B:G.218, B:D.220

8 x GOL: GLYCEROL(Non-functional Binders)

GOL.2: 7 residues within 4Å: Chain A: D.155, D.156, W.189, G.218, K.219, D.220 Ligands: CA.1 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:D.155, A:D.156, A:D.220 GOL.3: 8 residues within 4Å: Chain A: K.143, V.144, F.227, T.229, N.232, N.234, V.236, Y.242 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:T.229, A:N.232, A:N.232, A:N.232, A:N.234, A:Y.242 Water bridges: A:K.143 GOL.4: 6 residues within 4Å: Chain A: F.147, H.148, T.149, K.228, T.229, E.230 1 PLIP interactions: 1 interactions with chain A Water bridges: A:K.228 GOL.5: 6 residues within 4Å: Chain A: F.102, Y.103, Y.104, H.116, P.118, M.129 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:Y.103, A:H.116 Water bridges: A:H.116 GOL.7: 7 residues within 4Å: Chain B: D.155, D.156, W.189, G.218, K.219, D.220 Ligands: CA.6 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:D.155, B:D.156, B:D.220 GOL.8: 8 residues within 4Å: Chain B: K.143, V.144, F.227, T.229, N.232, N.234, V.236, Y.242 6 PLIP interactions: 6 interactions with chain B Hydrogen bonds: B:T.229, B:N.232, B:N.232, B:N.232, B:N.234 Water bridges: B:K.143 GOL.9: 6 residues within 4Å: Chain B: F.147, H.148, T.149, K.228, T.229, E.230 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:T.149 Water bridges: B:K.228 GOL.10: 6 residues within 4Å: Chain B: F.102, Y.103, Y.104, H.116, P.118, M.129 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:Y.103, B:H.116 Water bridges: B:H.116

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