SMTL ID : 1mvq.1

Cratylia mollis lectin (isoform 1) in complex with methyl-alpha-D-mannose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.77 Å

Oligo State

homo-tetramer

Ligands

4 x MMA: methyl alpha-D-mannopyranoside(Non-covalent)

MMA.1: 9 residues within 4Å: Chain A: Y.12, N.14, G.98, L.99, Y.100, A.206, D.207, G.226, R.227 6 PLIP interactions: 6 interactions with chain A Hydrogen bonds: A:G.98, A:L.99, A:Y.100, A:Y.100, A:R.227 Water bridges: A:R.227 MMA.4: 9 residues within 4Å: Chain B: Y.12, N.14, G.98, L.99, Y.100, A.206, D.207, G.226, R.227 6 PLIP interactions: 6 interactions with chain B Hydrogen bonds: B:G.98, B:L.99, B:Y.100, B:Y.100, B:R.227 Water bridges: B:R.227 MMA.7: 9 residues within 4Å: Chain C: Y.12, N.14, G.98, L.99, Y.100, A.206, D.207, G.226, R.227 7 PLIP interactions: 7 interactions with chain C Hydrogen bonds: C:N.14, C:G.98, C:L.99, C:Y.100, C:Y.100, C:R.227 Water bridges: C:R.227 MMA.10: 9 residues within 4Å: Chain D: Y.12, N.14, G.98, L.99, Y.100, A.206, D.207, G.226, R.227 7 PLIP interactions: 7 interactions with chain D Hydrogen bonds: D:N.14, D:G.98, D:L.99, D:Y.100, D:Y.100, D:R.227 Water bridges: D:R.227

4 x CA: CALCIUM ION(Non-covalent)

CA.2: 4 residues within 4Å: Chain A: D.10, Y.12, N.14, D.19 5 PLIP interactions: 3 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:D.10, A:Y.12, A:D.19, H2O.1, H2O.1 CA.5: 4 residues within 4Å: Chain B: D.10, Y.12, N.14, D.19 5 PLIP interactions: 3 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:D.10, B:Y.12, B:D.19, H2O.7, H2O.8 CA.8: 4 residues within 4Å: Chain C: D.10, Y.12, N.14, D.19 5 PLIP interactions: 3 interactions with chain C, 2 Ligand-Water interactions Metal complexes: C:D.10, C:Y.12, C:D.19, H2O.14, H2O.14 CA.11: 4 residues within 4Å: Chain D: D.10, Y.12, N.14, D.19 5 PLIP interactions: 3 interactions with chain D, 2 Ligand-Water interactions Metal complexes: D:D.10, D:Y.12, D:D.19, H2O.21, H2O.21

4 x MN: MANGANESE (II) ION(Non-covalent)

MN.3: 4 residues within 4Å: Chain A: E.8, D.10, D.19, H.24 6 PLIP interactions: 4 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:E.8, A:D.10, A:D.19, A:H.24, H2O.1, H2O.1 MN.6: 4 residues within 4Å: Chain B: E.8, D.10, D.19, H.24 6 PLIP interactions: 4 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:E.8, B:D.10, B:D.19, B:H.24, H2O.7, H2O.7 MN.9: 4 residues within 4Å: Chain C: E.8, D.10, D.19, H.24 6 PLIP interactions: 4 interactions with chain C, 2 Ligand-Water interactions Metal complexes: C:E.8, C:D.10, C:D.19, C:H.24, H2O.14, H2O.14 MN.12: 4 residues within 4Å: Chain D: E.8, D.10, D.19, H.24 6 PLIP interactions: 4 interactions with chain D, 2 Ligand-Water interactions Metal complexes: D:E.8, D:D.10, D:D.19, D:H.24, H2O.21, H2O.21

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

De Souza, G.A. et al., Amino acid sequence and tertiary structure of Cratylia mollis seed lectin. Glycobiology (2003)

Release Date

2003-10-07

Peptides

lectin, isoform 1: ABCD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

C
A

D
A

lectin, isoform 1