SMTL ID : 4tqk.1

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

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.10 Å

Oligo State

homo-dimer

Ligands

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

NAG.1: 8 residues within 4Å: Chain A: N.103, G.109, G.110, W.111, H.116, G.135, E.136, L.140 8 PLIP interactions: 8 interactions with chain A Hydrophobic interactions: A:W.111 Hydrogen bonds: A:N.103, A:N.103, A:G.109, A:W.111, A:E.136 Water bridges: A:G.109, A:K.137 NAG.2: 8 residues within 4Å: Chain A: N.46, G.52, G.53, W.54, H.59, G.78, N.79, Y.83 11 PLIP interactions: 11 interactions with chain A Hydrophobic interactions: A:W.54 Hydrogen bonds: A:N.46, A:N.46, A:G.52, A:W.54, A:N.79, A:Y.83 Water bridges: A:N.79, A:N.79, A:N.79, A:A.80 NAG.3: 8 residues within 4Å: Chain A: D.159, G.165, G.166, W.167, H.172, G.191, D.192, F.196 8 PLIP interactions: 8 interactions with chain A Hydrophobic interactions: A:W.167 Hydrogen bonds: A:D.159, A:G.165, A:G.165, A:W.167, A:D.192 Water bridges: A:G.165, A:D.192 NAG.4: 7 residues within 4Å: Chain A: N.215, G.221, G.222, W.223, G.247, K.248, W.252 9 PLIP interactions: 9 interactions with chain A Hydrophobic interactions: A:W.223 Hydrogen bonds: A:N.215, A:N.215, A:G.221, A:W.223, A:K.248 Water bridges: A:G.221, A:K.248, A:A.249 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 Hydrophobic interactions: A:W.278 Hydrogen bonds: A:D.271, A:K.276, A:W.278, A:N.303, A:N.303, A:Y.307 Water bridges: A:A.304 NAG.6: 9 residues within 4Å: Chain A: D.326, Q.331, G.332, W.333, H.338, G.357, E.358, E.360, L.362 7 PLIP interactions: 7 interactions with chain A Hydrophobic interactions: A:W.333 Hydrogen bonds: A:D.326, A:Q.331, A:W.333, A:E.358, A:E.360 Water bridges: A:K.359 NAG.7: 8 residues within 4Å: Chain B: N.46, G.52, G.53, W.54, H.59, G.78, N.79, Y.83 13 PLIP interactions: 13 interactions with chain B Hydrophobic interactions: B:W.54 Hydrogen bonds: B:N.46, B:N.46, B:G.52, B:G.52, B:W.54, B:N.79 Water bridges: B:N.79, B:N.79, B:N.79, B:A.80, B:Y.83, B:Y.83 NAG.8: 7 residues within 4Å: Chain B: N.103, G.109, W.111, H.116, G.135, E.136, L.140 9 PLIP interactions: 9 interactions with chain B Hydrophobic interactions: B:W.111 Hydrogen bonds: B:N.103, B:N.103, B:G.109, B:W.111, B:E.136 Water bridges: B:K.137, B:K.137 Salt bridges: B:K.137 NAG.9: 7 residues within 4Å: Chain B: D.159, G.165, W.167, H.172, G.191, D.192, F.196 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:D.159, B:G.165, B:W.167, B:D.192 Water bridges: B:K.193 NAG.10: 8 residues within 4Å: Chain B: D.271, K.276, G.277, W.278, H.283, G.302, N.303, Y.307 9 PLIP interactions: 9 interactions with chain B Hydrophobic interactions: B:W.278 Hydrogen bonds: B:D.271, B:K.276, B:W.278, B:N.303, B:N.303 Water bridges: B:Y.307, B:Y.307, B:Y.307 NAG.11: 8 residues within 4Å: Chain B: D.326, Q.331, G.332, W.333, H.338, G.357, E.358, L.362 7 PLIP interactions: 7 interactions with chain B Hydrogen bonds: B:D.326, B:Q.331, B:W.333, B:E.358 Water bridges: B:D.326, B:K.359 Salt bridges: B:K.359

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: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

Lectin 2

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