SMTL ID : 1pxd.1

Crystal structure of the complex of jacalin with meso-tetrasulphonatophenylporphyrin.

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.80 Å

Oligo State

hetero-oligomer

Ligands

8 x SFP: 5,10,15,20-TETRAKIS(4-SULPFONATOPHENYL)-21H,23H-PORPHINE(Non-covalent)

SFP.1: 10 residues within 4Å: Chain A: G.1, K.2, F.47, S.76, Y.78, I.120, G.121, Y.122, W.123 Ligands: SFP.2 12 PLIP interactions: 12 interactions with chain A Hydrophobic interactions: A:Y.122, A:Y.122, A:W.123 Hydrogen bonds: A:G.1, A:G.1, A:S.76, A:S.76 Water bridges: A:F.47 Salt bridges: A:K.2 pi-Stacking: A:F.47, A:Y.78, A:Y.122 SFP.2: 2 residues within 4Å: Chain A: Y.78 Ligands: SFP.1 No protein-ligand interaction detected (PLIP) SFP.3: 10 residues within 4Å: Chain C: G.1, K.2, F.47, S.76, Y.78, I.120, G.121, Y.122, W.123 Ligands: SFP.4 12 PLIP interactions: 12 interactions with chain C Hydrophobic interactions: C:Y.122, C:Y.122, C:W.123 Hydrogen bonds: C:G.1, C:G.1, C:S.76, C:S.76 Water bridges: C:F.47 Salt bridges: C:K.2 pi-Stacking: C:F.47, C:Y.78, C:Y.122 SFP.4: 2 residues within 4Å: Chain C: Y.78 Ligands: SFP.3 No protein-ligand interaction detected (PLIP) SFP.5: 10 residues within 4Å: Chain E: G.1, K.2, F.47, S.76, Y.78, I.120, G.121, Y.122, W.123 Ligands: SFP.6 12 PLIP interactions: 12 interactions with chain E Hydrophobic interactions: E:Y.122, E:Y.122, E:W.123 Hydrogen bonds: E:G.1, E:G.1, E:S.76, E:S.76 Water bridges: E:F.47 Salt bridges: E:K.2 pi-Stacking: E:F.47, E:Y.78, E:Y.122 SFP.6: 2 residues within 4Å: Chain E: Y.78 Ligands: SFP.5 No protein-ligand interaction detected (PLIP) SFP.7: 10 residues within 4Å: Chain G: G.1, K.2, F.47, S.76, Y.78, I.120, G.121, Y.122, W.123 Ligands: SFP.8 12 PLIP interactions: 12 interactions with chain G Hydrophobic interactions: G:Y.122, G:Y.122, G:W.123 Hydrogen bonds: G:G.1, G:G.1, G:S.76, G:S.76 Water bridges: G:F.47 Salt bridges: G:K.2 pi-Stacking: G:F.47, G:Y.78, G:Y.122 SFP.8: 2 residues within 4Å: Chain G: Y.78 Ligands: SFP.7 No protein-ligand interaction detected (PLIP)

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Goel, M. et al., Porphyrin binding to jacalin is facilitated by the inherent plasticity of the carbohydrate-binding site: novel mode of lectin-ligand interaction. Acta Crystallogr.,Sect.D (2004)

Release Date

2004-02-03

Peptides

Agglutinin alpha chain: ACEG
Agglutinin beta-3 chain: BDFH

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

C
A

E
A

G
A

B
B

D
B

F
B

H
B

Agglutinin alpha chain

Agglutinin beta-3 chain

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