SMTL ID : 6rym.1

Structure of carbohydrate recognition domain with GlcNAc bound

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.46 Å

Oligo State

monomer

Ligands

2 x CA: CALCIUM ION(Non-covalent)

CA.1: 7 residues within 4Å: Chain A: E.92, N.94, E.102, N.114, D.115 Ligands: NDG.3, NAG.4 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:E.92, A:E.102, A:D.115, A:D.115 CA.2: 5 residues within 4Å: Chain A: D.68, E.72, N.95, E.102, N.103 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:D.68, A:E.72, A:E.72, A:E.102, H2O.2

1 x NDG: 2-acetamido-2-deoxy-alpha-D-glucopyranose(Non-covalent)

NDG.3: 14 residues within 4Å: Chain A: E.92, N.94, S.96, D.97, E.98, E.102, E.106, N.114, D.115, V.116, P.117, K.120 Ligands: CA.1, NAG.4 10 PLIP interactions: 10 interactions with chain A Hydrophobic interactions: A:P.117 Hydrogen bonds: A:N.94, A:D.97, A:D.97, A:E.102, A:N.114, A:N.114 Water bridges: A:K.120, A:K.120, A:K.120

1 x NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose(Non-covalent)

NAG.4: 13 residues within 4Å: Chain A: E.92, N.94, S.96, D.97, E.102, E.106, N.114, D.115, V.116, P.117, K.120 Ligands: CA.1, NDG.3 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:N.94, A:D.97, A:E.102, A:N.114 Water bridges: A:K.120, A:K.120, A:K.120

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Paterson, J.M. et al., Atomic-resolution crystal structures of the immune protein conglutinin from cow reveal specific interactions of its binding site withN-acetylglucosamine. J.Biol.Chem. (2019)

Release Date

2019-10-09

Peptides

Conglutinin: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Conglutinin

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