SMTL ID : 2xjp.1

X-ray structure of the N-terminal domain of the flocculin Flo5 from Saccharomyces cerevisiae in complex with calcium and mannose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 0.95 Å

Oligo State

monomer

Ligands

2 x CA: CALCIUM ION(Non-covalent)

CA.1: 9 residues within 4Å: Chain A: D.147, D.148, N.211, A.212, V.213, W.215, G.216 Ligands: MAN.6, BMA.7 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:D.147, A:D.148, A:V.213, A:W.215 CA.5: 2 residues within 4Å: Chain A: S.157, E.161 5 PLIP interactions: 2 interactions with chain A, 3 Ligand-Water interactions Metal complexes: A:S.157, A:E.161, H2O.3, H2O.4, H2O.11

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

NA.2: 6 residues within 4Å: Chain A: D.69, N.71, P.84, Q.85, W.215, T.217 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:N.71, A:N.71 Water bridges: A:Q.85 NA.4: 4 residues within 4Å: Chain A: P.73, T.80, F.81, P.82 1 PLIP interactions: 1 interactions with chain A Water bridges: A:T.80

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

CL.3: 6 residues within 4Å: Chain A: Y.89, C.94, K.95, G.96, M.97, G.98 Ligand excluded by PLIP

1 x MAN: alpha-D-mannopyranose(Non-covalent)

MAN.6: 8 residues within 4Å: Chain A: Q.85, D.147, D.148, V.213, S.214, W.215 Ligands: CA.1, BMA.7 9 PLIP interactions: 9 interactions with chain A Hydrogen bonds: A:Q.85, A:D.147, A:D.147, A:S.214, A:W.215 Water bridges: A:D.148, A:D.148, A:D.148, A:K.181

2 x BMA: beta-D-mannopyranose(Non-covalent)

BMA.7: 8 residues within 4Å: Chain A: Q.85, D.147, D.148, V.213, S.214, W.215 Ligands: CA.1, MAN.6 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:Q.85, A:D.147, A:D.147, A:W.215 Water bridges: A:D.148, A:D.148 BMA.8: 10 residues within 4Å: Chain A: Q.63, D.65, I.66, S.67, I.68, D.69, D.112, L.113, F.114, G.115 8 PLIP interactions: 8 interactions with chain A Hydrogen bonds: A:D.65, A:D.112, A:F.114 Water bridges: A:S.67, A:S.67, A:D.69, A:G.115, A:G.115

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Veelders, M. et al., Structural Basis of Flocculin-Mediated Social Behavior in Yeast. Proc.Natl.Acad.Sci.USA (2010)

Release Date

2010-12-15

Peptides

FLOCCULATION PROTEIN FLO5: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

FLOCCULATION PROTEIN FLO5

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