SMTL ID : 1gzw.1

X-RAY CRYSTAL STRUCTURE OF HUMAN GALECTIN-1

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.70 Å

Oligo State

homo-dimer

Ligands

2 x BGC- GAL: beta-D-galactopyranose-(1-4)-beta-D-glucopyranose(Non-functional Binders)

BGC-GAL.1: 8 residues within 4Å: Chain A: H.44, N.46, R.48, H.52, N.61, W.68, E.71, R.73 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:R.48, A:R.48, A:E.71, A:R.73, A:R.48, A:H.52, A:N.61, A:E.71 Water bridges: A:R.73, A:N.46 BGC-GAL.2: 8 residues within 4Å: Chain B: H.44, N.46, R.48, H.52, N.61, W.68, E.71, R.73 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:R.48, B:R.48, B:E.71, B:R.73, B:R.48, B:N.61 Water bridges: B:N.46

5 x BME: BETA-MERCAPTOETHANOL(Non-functional Binders)(Non-covalent)

BME.3: 6 residues within 4Å: Chain A: R.18, E.86, V.87, C.88, K.99, L.100 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:R.18, A:E.86 BME.4: 5 residues within 4Å: Chain A: R.18, R.20, C.130, V.131 Chain B: C.130 No protein-ligand interaction detected (PLIP) BME.6: 4 residues within 4Å: Chain B: C.16, C.88, I.89, K.99 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:K.99, B:K.99 BME.7: 5 residues within 4Å: Chain B: R.18, E.86, C.88, K.99, L.100 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:E.86 Water bridges: B:P.101 BME.8: 6 residues within 4Å: Chain B: R.18, R.20, E.86, C.130, V.131, A.132 No protein-ligand interaction detected (PLIP)

1 x SO4: SULFATE ION(Non-covalent)

SO4.5: 2 residues within 4Å: Chain A: P.109, R.111 3 PLIP interactions: 3 interactions with chain A Water bridges: A:R.111, A:R.111 Salt bridges: A:R.111

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Lopez-Lucendo, M.I.F. et al., Growth-Regulatory Human Galectin-1: Crystallographic Characterisation of the Structural Changes Induced by Single-Site Mutations and Their Impact on the Thermodynamics of Ligand Binding. J.Mol.Biol. (2004)

Release Date

2004-01-08

Peptides

GALECTIN-1: AB

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

GALECTIN-1

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