SMTL ID : 1gsl.1

LECTIN (FOURTH ISOLATED FROM (GRIFFONIA SIMPLICIFOLIA)) COMPLEX WITH Y HUMAN BLOOD GROUP DETERMINANT

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.00 Å

Oligo State

homo-dimer

Ligands

2 x MAG- GAL- FUC- FUC: alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside

MAG-GAL-FUC-FUC.1: 16 residues within 4Å: Chain A: R.48, S.49, A.88, D.89, Y.105, G.106, G.107, F.108, H.114, W.133, N.135, D.137, W.138, V.221, G.222, Y.223 3 PLIP interactions: 3 interactions with chain A Hydrophobic interactions: A:Y.105 Hydrogen bonds: A:R.48, A:S.49, A:G.222, A:G.222, A:D.89, A:G.107, A:N.135 MAG-GAL-FUC-FUC.5: 16 residues within 4Å: Chain B: R.48, S.49, A.88, D.89, Y.105, G.106, G.107, F.108, H.114, W.133, N.135, D.137, W.138, V.221, G.222, Y.223 3 PLIP interactions: 3 interactions with chain B Hydrophobic interactions: B:Y.105 Hydrogen bonds: B:R.48, B:S.49, B:G.222, B:G.222, B:D.89, B:G.107, B:N.135

2 x NAG- NAG- BMA- FUC: beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose

NAG-NAG-BMA-FUC.2: 5 residues within 4Å: Chain A: N.18, F.24, L.25, G.26, S.101 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:G.26, A:S.101 Water bridges: A:F.24, A:G.26 Hydrophobic interactions: A:L.25 NAG-NAG-BMA-FUC.6: 5 residues within 4Å: Chain B: N.18, F.24, L.25, G.26, S.101 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:G.26, B:S.101 Water bridges: B:F.24, B:G.26 Hydrophobic interactions: B:L.25

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

MN.3: 4 residues within 4Å: Chain A: E.129, D.131, D.140, H.145 6 PLIP interactions: 4 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:E.129, A:D.131, A:D.140, A:H.145, H2O.1, H2O.2 MN.7: 4 residues within 4Å: Chain B: E.129, D.131, D.140, H.145 6 PLIP interactions: 4 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:E.129, B:D.131, B:D.140, B:H.145, H2O.7, H2O.8

2 x CA: CALCIUM ION(Non-covalent)

CA.4: 4 residues within 4Å: Chain A: D.131, W.133, N.135, D.140 5 PLIP interactions: 3 interactions with chain A, 2 Ligand-Water interactions Metal complexes: A:D.131, A:D.131, A:W.133, H2O.2, H2O.2 CA.8: 4 residues within 4Å: Chain B: D.131, W.133, N.135, D.140 5 PLIP interactions: 3 interactions with chain B, 2 Ligand-Water interactions Metal complexes: B:D.131, B:D.131, B:W.133, H2O.8, H2O.8

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Delbaere, L.T. et al., Structures of the lectin IV of Griffonia simplicifolia and its complex with the Lewis b human blood group determinant at 2.0 A resolution. J.Mol.Biol. (1993)

Release Date

1996-12-23

Peptides

GRIFFONIA SIMPLICIFOLIA LECTIN 4: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

GRIFFONIA SIMPLICIFOLIA LECTIN 4

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