SMTL ID : 4tqm.1

Structural basis of specific recognition of non-reducing terminal N-acetylglucosamine by an Agrocybe aegerita lection

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.00 Å

Oligo State

monomer

Ligands

5 x NAG- GAL- NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Non-covalent)

NAG-GAL-NAG.1: 10 residues within 4Å: Chain A: N.46, G.52, G.53, W.54, H.59, G.78, N.79, A.80, Y.83, D.107 8 PLIP interactions: 8 interactions with chain A Hydrogen bonds: A:N.79, A:Y.83, A:Y.83, A:N.46, A:N.46, A:G.52, A:W.54, A:N.79 Water bridges: A:N.79, A:A.80, A:A.80, A:Y.83 Hydrophobic interactions: A:W.54 NAG-GAL-NAG.2: 9 residues within 4Å: Chain A: N.103, G.109, G.110, W.111, H.116, G.135, E.136, K.137, D.163 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:K.137, A:N.103, A:N.103, A:G.109, A:W.111, A:E.136 Water bridges: A:G.110, A:E.136, A:E.136, A:K.137 Hydrophobic interactions: A:W.111 NAG-GAL-NAG.3: 10 residues within 4Å: Chain A: D.159, G.165, W.167, H.172, G.191, D.192, K.193, H.194, F.196, D.219 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:D.192, A:D.159, A:G.165, A:W.167, A:D.192 Water bridges: A:D.192, A:H.194, A:K.193 Hydrophobic interactions: A:W.167 NAG-GAL-NAG.4: 8 residues within 4Å: Chain A: N.215, G.221, G.222, W.223, G.247, K.248, A.249, W.252 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:K.248, A:A.249, A:N.215, A:N.215, A:G.221, A:W.223, A:K.248 Water bridges: A:K.248, A:A.249 Hydrophobic interactions: A:W.223 NAG-GAL-NAG.6: 10 residues within 4Å: Chain A: D.326, Q.331, G.332, W.333, H.338, G.357, E.358, K.359, E.360, L.362 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:K.359, A:D.326, A:Q.331, A:W.333, A:E.358 Water bridges: A:K.359, A:K.359, A:K.359, A:K.359, A:K.359, A:E.360 Hydrophobic interactions: A:W.333

1 x GAL- NAG: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose(Non-covalent)

GAL-NAG.5: 8 residues within 4Å: Chain A: D.271, K.276, G.277, W.278, H.283, G.302, N.303, Y.307 8 PLIP interactions: 8 interactions with chain A Water bridges: A:N.303, A:K.276, A:A.304 Hydrophobic interactions: A:W.278 Hydrogen bonds: A:D.271, A:K.276, A:W.278, A:N.303, A:Y.307

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Ren, X.M. et al., Structural Basis of Specific Recognition of Non-Reducing Terminal N-Acetylglucosamine by an Agrocybe aegerita Lectin. Plos One (2015)

Release Date

2015-06-03

Peptides

Lectin 2: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Lectin 2

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