SMTL ID : 1ouw.1 (1 other biounit)

Crystal structure of Calystegia sepium agglutinin

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.37 Å

Oligo State

homo-dimer

Ligands

5 x EDO: 1,2-ETHANEDIOL(Non-functional Binders)

EDO.1: 6 residues within 4Å: Chain A: N.95, G.139, Y.140, Y.141, D.143 Ligands: IMD.9 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:G.139, A:Y.140, A:Y.141, A:Y.141 EDO.2: 5 residues within 4Å: Chain B: G.139, Y.140, Y.141, D.143 Ligands: IMD.6 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:G.139, B:Y.140, B:Y.141, B:Y.141 EDO.3: 3 residues within 4Å: Chain A: M.4, I.7 Chain B: M.4 No protein-ligand interaction detected (PLIP) EDO.4: 3 residues within 4Å: Chain A: G.63, G.64, P.65 1 PLIP interactions: 1 interactions with chain A Hydrogen bonds: A:G.64 EDO.5: 6 residues within 4Å: Chain A: N.17, F.18, R.137 Chain B: P.3, M.4, D.5 6 PLIP interactions: 3 interactions with chain B, 3 interactions with chain A Hydrogen bonds: B:P.3, B:D.5, B:R.150, A:R.137, A:R.137 Water bridges: A:F.18

4 x IMD: IMIDAZOLE(Non-covalent)

IMD.6: 2 residues within 4Å: Chain B: Y.140 Ligands: EDO.2 2 PLIP interactions: 2 interactions with chain B Water bridges: B:N.95 pi-Stacking: B:Y.140 IMD.7: 5 residues within 4Å: Chain A: V.24, N.25, K.26, E.130, V.132 2 PLIP interactions: 2 interactions with chain A Water bridges: A:R.22, A:R.22 IMD.8: 5 residues within 4Å: Chain B: V.24, N.25, K.26, E.130, V.132 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:R.22 Water bridges: B:R.22 IMD.9: 3 residues within 4Å: Chain A: N.95, Y.140 Ligands: EDO.1 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:N.95 pi-Stacking: A:Y.140

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Bourne, Y. et al., The crystal structure of the Calystegia sepium agglutinin reveals a novel quaternary arrangement of lectin subunits with a beta-prism fold. J.Biol.Chem. (2004)

Release Date

2003-11-11

Peptides

lectin: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

lectin

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