SMTL ID : 2z49.1 (1 other biounit)

Crystal Structure of Hemolytic Lectin CEL-III Complexed with methyl-alpha-D-galactopylanoside

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.95 Å

Oligo State

monomer

Ligands

5 x AMG: methyl alpha-D-galactopyranoside(Non-covalent)

AMG.1: 8 residues within 4Å: Chain A: D.23, I.24, V.25, G.26, Y.36, D.39, L.41 Ligands: CA.6 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:I.24, A:G.26, A:D.39 AMG.2: 7 residues within 4Å: Chain A: D.121, I.122, E.123, G.124, Y.134, Q.137 Ligands: CA.7 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:D.121, A:G.124, A:Q.137 Water bridges: A:G.124 AMG.3: 7 residues within 4Å: Chain A: D.168, V.169, E.170, G.171, Y.181, E.184 Ligands: CA.8 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:D.168, A:G.171, A:E.184 Water bridges: A:Q.189 AMG.4: 7 residues within 4Å: Chain A: D.209, V.210, E.211, G.212, Y.222, D.225 Ligands: CA.9 7 PLIP interactions: 7 interactions with chain A Hydrogen bonds: A:G.212, A:D.225, A:D.225 Water bridges: A:E.211, A:E.211, A:E.211, A:Q.230 AMG.5: 7 residues within 4Å: Chain A: D.256, V.257, S.258, G.259, W.269, D.272 Ligands: CA.10 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:V.257, A:G.259, A:D.272, A:D.272 Water bridges: A:S.258, A:Q.277

5 x CA: CALCIUM ION(Non-covalent)

CA.6: 5 residues within 4Å: Chain A: D.23, I.24, G.26, D.43 Ligands: AMG.1 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:D.23, A:I.24, A:G.26, A:D.43, H2O.5 CA.7: 6 residues within 4Å: Chain A: D.121, I.122, G.124, Q.137, D.141 Ligands: AMG.2 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:D.121, A:I.122, A:G.124, A:D.141 CA.8: 5 residues within 4Å: Chain A: D.168, V.169, G.171, D.188 Ligands: AMG.3 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:D.168, A:V.169, A:G.171, A:D.188, H2O.16 CA.9: 5 residues within 4Å: Chain A: D.209, V.210, G.212, D.229 Ligands: AMG.4 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:D.209, A:V.210, A:G.212, A:D.229, H2O.16 CA.10: 5 residues within 4Å: Chain A: D.256, V.257, G.259, D.276 Ligands: AMG.5 5 PLIP interactions: 4 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:D.256, A:V.257, A:G.259, A:D.276, H2O.7

2 x MG: MAGNESIUM ION(Non-covalent)

MG.11: 5 residues within 4Å: Chain A: N.32, I.33, N.72, V.73, I.131 4 PLIP interactions: 3 interactions with chain A, 1 Ligand-Water interactions Metal complexes: A:I.33, A:V.73, A:I.131, H2O.1 MG.12: 6 residues within 4Å: Chain A: N.177, V.178, N.218, V.219, D.265, V.266 4 PLIP interactions: 4 interactions with chain A Metal complexes: A:V.178, A:V.219, A:D.265, A:V.266

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Hatakeyama, T. et al., C-type lectin-like carbohydrate-recognition of the hemolytic lectin CEL-III containing ricin-type beta-trefoil folds. J.Biol.Chem. (2007)

Release Date

2007-10-30

Peptides

Hemolytic lectin CEL-III: A

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

Hemolytic lectin CEL-III

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