SMTL ID : 2cwg.1

CRYSTALLOGRAPHIC REFINEMENT AND STRUCTURE ANALYSIS OF THE COMPLEX OF WHEAT GERM AGGLUTININ WITH A BIVALENT SIALOGLYCOPEPTIDE FROM GLYCOPHORIN A

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.00 Å

Oligo State

homo-dimer

Ligands

2 x ASP- THR- TYR- ALA- ALA- THR- PRO- ARG: T5 SIALOGLYCOPEPTIDE OF GLYCOPHORIN A(Non-covalent)

ASP-THR-TYR-ALA-ALA-THR-PRO-ARG.1: 7 residues within 4Å: Chain A: T.42, Y.66 Chain B: S.114, E.115 Ligands: NDG-GAL-SIA-SIA.3, NDG-GAL-SIA-SIA.3, NDG-GAL-SIA-SIA.3 6 PLIP interactions: 4 interactions with chain B, 2 interactions with chain A Hydrophobic interactions: B:E.115, A:T.42 Hydrogen bonds: B:S.114, B:S.114, B:S.114, A:Y.66 ASP-THR-TYR-ALA-ALA-THR-PRO-ARG.2: 6 residues within 4Å: Chain A: S.8 Chain B: Q.1, Y.23 Ligands: NDG-GAL-SIA-SIA.4, NDG-GAL-SIA-SIA.4, NDG-GAL-SIA-SIA.4 5 PLIP interactions: 2 interactions with chain A, 3 interactions with chain B Hydrogen bonds: A:S.8, A:S.8, B:Y.23 Hydrophobic interactions: B:Y.23 Water bridges: B:Y.23

2 x NDG- GAL- SIA- SIA: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-[N-acetyl-alpha-neuraminic acid-(2-6)]2-acetamido-2-deoxy-alpha-D-glucopyranose(Non-functional Binders)

NDG-GAL-SIA-SIA.3: 12 residues within 4Å: Chain A: S.62, Y.64, Y.66, E.72, Y.73 Chain B: S.114, E.115 Ligands: ASP-THR-TYR-ALA-ALA-THR-PRO-ARG.1, ASP-THR-TYR-ALA-ALA-THR-PRO-ARG.1, ASP-THR-TYR-ALA-ALA-THR-PRO-ARG.1, ASP-THR-TYR-ALA-ALA-THR-PRO-ARG.1, ASP-THR-TYR-ALA-ALA-THR-PRO-ARG.1 8 PLIP interactions: 5 interactions with chain A, 3 interactions with chain B Water bridges: A:Y.66, A:Y.66, B:S.114 Hydrophobic interactions: A:E.72, A:Y.73 Hydrogen bonds: A:S.43, A:S.43, A:S.62, B:S.114, B:E.115 NDG-GAL-SIA-SIA.4: 8 residues within 4Å: Chain A: P.157 Chain B: S.19, Y.21, Y.23, D.29, Y.30 Ligands: ALA-THR-PRO.2, ALA-THR-PRO.2 7 PLIP interactions: 7 interactions with chain B Hydrophobic interactions: B:Y.23, B:D.29, B:Y.30 Hydrogen bonds: B:S.19, B:Y.30, B:Y.30 Water bridges: B:Y.21

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Wright, C.S. et al., Crystallographic refinement and structure analysis of the complex of wheat germ agglutinin with a bivalent sialoglycopeptide from glycophorin A. J.Mol.Biol. (1993)

Release Date

1994-01-31

Peptides

AGGLUTININ ISOLECTIN 1 (WGA1): AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

AGGLUTININ ISOLECTIN 1 (WGA1)

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