SMTL ID : 3i8t.1

N-terminal CRD1 domain of mouse Galectin-4 in complex with lactose

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.10 Å

Oligo State

homo-tetramer

Ligands

4 x GLC- GAL: beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose(Non-covalent)

GLC-GAL.1: 7 residues within 4Å: Chain A: H.75, N.77, R.79, N.89, W.96, E.99 Ligands: GOL.3 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:R.79, A:N.89, A:R.79, A:R.79 Water bridges: A:R.57, A:R.57, A:E.99, A:E.99 GLC-GAL.6: 7 residues within 4Å: Chain B: H.75, N.77, R.79, N.89, W.96, E.99 Ligands: GOL.8 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:R.79, B:N.89, B:R.79, B:R.79 Water bridges: B:R.57, B:R.57, B:E.99, B:E.99 GLC-GAL.11: 7 residues within 4Å: Chain C: H.75, N.77, R.79, N.89, W.96, E.99 Ligands: GOL.13 5 PLIP interactions: 5 interactions with chain C Hydrogen bonds: C:R.79, C:N.89, C:R.79, C:R.79 Water bridges: C:R.57, C:R.57, C:E.99, C:E.99 GLC-GAL.16: 7 residues within 4Å: Chain D: H.75, N.77, R.79, N.89, W.96, E.99 Ligands: GOL.18 5 PLIP interactions: 5 interactions with chain D Hydrogen bonds: D:R.79, D:N.89, D:R.79, D:R.79 Water bridges: D:R.57, D:R.57, D:E.99, D:E.99

8 x GOL: GLYCEROL(Non-functional Binders)

GOL.2: 10 residues within 4Å: Chain A: V.41, P.121, P.141, V.142, Q.143 Chain C: G.42, M.43, M.118, V.119, M.120 4 PLIP interactions: 2 interactions with chain A, 2 interactions with chain C Hydrogen bonds: A:P.121, A:V.142, C:V.119, C:V.119 GOL.3: 6 residues within 4Å: Chain A: R.57, F.58, H.59, N.77, G.152 Ligands: GLC-GAL.1 5 PLIP interactions: 5 interactions with chain A Hydrogen bonds: A:R.57, A:F.58, A:H.59, A:N.77 Water bridges: A:H.75 GOL.7: 10 residues within 4Å: Chain B: V.41, P.121, P.141, V.142, Q.143 Chain D: G.42, M.43, M.118, V.119, M.120 4 PLIP interactions: 2 interactions with chain B, 2 interactions with chain D Hydrogen bonds: B:P.121, B:V.142, D:V.119, D:V.119 GOL.8: 6 residues within 4Å: Chain B: R.57, F.58, H.59, N.77, G.152 Ligands: GLC-GAL.6 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:R.57, B:F.58, B:H.59, B:N.77 Water bridges: B:H.75 GOL.12: 10 residues within 4Å: Chain B: G.42, M.43, M.118, V.119, M.120 Chain C: V.41, P.121, P.141, V.142, Q.143 4 PLIP interactions: 2 interactions with chain C, 2 interactions with chain B Hydrogen bonds: C:P.121, C:V.142, B:V.119, B:V.119 GOL.13: 6 residues within 4Å: Chain C: R.57, F.58, H.59, N.77, G.152 Ligands: GLC-GAL.11 5 PLIP interactions: 5 interactions with chain C Hydrogen bonds: C:R.57, C:F.58, C:H.59, C:N.77 Water bridges: C:H.75 GOL.17: 10 residues within 4Å: Chain A: G.42, M.43, M.118, V.119, M.120 Chain D: V.41, P.121, P.141, V.142, Q.143 4 PLIP interactions: 2 interactions with chain A, 2 interactions with chain D Hydrogen bonds: A:V.119, A:V.119, D:P.121, D:V.142 GOL.18: 6 residues within 4Å: Chain D: R.57, F.58, H.59, N.77, G.152 Ligands: GLC-GAL.16 5 PLIP interactions: 5 interactions with chain D Hydrogen bonds: D:R.57, D:F.58, D:H.59, D:N.77 Water bridges: D:H.75

4 x PEG: DI(HYDROXYETHYL)ETHER(Non-functional Binders)

PEG.4: 11 residues within 4Å: Chain A: K.32, N.61, A.63, G.65, Q.66, D.67, D.68, G.69, A.70, V.72, Q.149 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:N.61, A:G.65, A:A.70 PEG.9: 11 residues within 4Å: Chain B: K.32, N.61, A.63, G.65, Q.66, D.67, D.68, G.69, A.70, V.72, Q.149 3 PLIP interactions: 3 interactions with chain B Hydrogen bonds: B:N.61, B:G.65, B:A.70 PEG.14: 11 residues within 4Å: Chain C: K.32, N.61, A.63, G.65, Q.66, D.67, D.68, G.69, A.70, V.72, Q.149 3 PLIP interactions: 3 interactions with chain C Hydrogen bonds: C:N.61, C:G.65, C:A.70 PEG.19: 11 residues within 4Å: Chain D: K.32, N.61, A.63, G.65, Q.66, D.67, D.68, G.69, A.70, V.72, Q.149 3 PLIP interactions: 3 interactions with chain D Hydrogen bonds: D:N.61, D:G.65, D:A.70

4 x NA: SODIUM ION(Non-functional Binders)

NA.5: 3 residues within 4Å: Ligands: NA.10, NA.15, NA.20 4 PLIP interactions: 1 interactions with chain B, 1 interactions with chain A, 1 interactions with chain D, 1 interactions with chain C Water bridges: B:E.122, A:E.122, D:E.122, C:E.122 NA.10: 3 residues within 4Å: Ligands: NA.5, NA.15, NA.20 2 PLIP interactions: 1 interactions with chain B, 1 interactions with chain C Water bridges: B:E.122, C:E.122 NA.15: 3 residues within 4Å: Ligands: NA.5, NA.10, NA.20 2 PLIP interactions: 1 interactions with chain B, 1 interactions with chain C Water bridges: B:E.122, C:E.122 NA.20: 3 residues within 4Å: Ligands: NA.5, NA.10, NA.15 4 PLIP interactions: 1 interactions with chain B, 1 interactions with chain A, 1 interactions with chain D, 1 interactions with chain C Water bridges: B:E.122, A:E.122, D:E.122, C:E.122

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Krejcirikova, V. et al., Structure of the mouse galectin-4 N-terminal carbohydrate-recognition domain reveals the mechanism of oligosaccharide recognition. Acta Crystallogr.,Sect.D (2011)

Release Date

2011-02-23

Peptides

Galectin-4: ABCD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
A

C
A

D
A

Galectin-4