SMTL ID : 3lm1.1 (1 other biounit)

Crystal Structure Analysis of Maclura pomifera agglutinin complex with p-nitrophenyl-GalNAc

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.10 Å

Oligo State

hetero-4-4-mer

Ligands

4 x LEC: 4-nitrophenyl 2-acetamido-2-deoxy-beta-D-glucopyranoside(Non-covalent)

LEC.1: 9 residues within 4Å: Chain A: G.1, F.47, E.76, Y.78, V.80, G.121, Y.122, W.123, D.125 8 PLIP interactions: 8 interactions with chain A Hydrophobic interactions: A:Y.78 Hydrogen bonds: A:G.1, A:G.1, A:G.121, A:Y.122, A:W.123, A:W.123 pi-Stacking: A:Y.122 LEC.2: 9 residues within 4Å: Chain C: G.1, F.47, E.76, Y.78, V.80, G.121, Y.122, W.123, D.125 9 PLIP interactions: 9 interactions with chain C Hydrophobic interactions: C:Y.78 Hydrogen bonds: C:G.1, C:G.1, C:G.121, C:Y.122, C:W.123, C:W.123 Water bridges: C:G.1 pi-Stacking: C:Y.122 LEC.3: 8 residues within 4Å: Chain E: G.1, F.47, E.76, Y.78, G.121, Y.122, W.123, D.125 8 PLIP interactions: 8 interactions with chain E Hydrophobic interactions: E:Y.78 Hydrogen bonds: E:G.1, E:G.1, E:G.121, E:Y.122, E:W.123, E:W.123 pi-Stacking: E:Y.122 LEC.4: 9 residues within 4Å: Chain G: G.1, F.47, E.76, Y.78, V.80, G.121, Y.122, W.123, D.125 9 PLIP interactions: 9 interactions with chain G Hydrophobic interactions: G:Y.78, G:W.123 Hydrogen bonds: G:G.1, G:G.1, G:G.121, G:Y.122, G:W.123, G:W.123 pi-Stacking: G:Y.122

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Huang, J. et al., Characterization of the secondary binding sites of Maclura pomifera agglutinin by glycan array and crystallographic analyses. Glycobiology (2010)

Release Date

2010-09-22

Peptides

Agglutinin alpha chain: ACEG
Agglutinin beta-2 chain: BDFH

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C
E

E
I

G
M

B
B

D
F

F
J

H
N

Agglutinin alpha chain

Agglutinin beta-2 chain

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