SMTL ID : 1ct1.1

CHOLERA TOXIN B-PENTAMER MUTANT G33R BOUND TO RECEPTOR PENTASACCHARIDE

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.30 Å

Oligo State

homo-pentamer

Ligands

2 x BGC- GAL- NGA- GAL- SIA: beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-[N-acetyl-alpha-neuraminic acid-(2-3)]beta-D-galactopyranose-(1-4)-beta-D-glucopyranose

BGC-GAL-NGA-GAL-SIA.1: 12 residues within 4Å: Chain C: Y.12, H.13, N.14, E.51, Q.56, H.57, Q.61, W.88, N.90, K.91 Chain D: R.33, K.34 6 PLIP interactions: 4 interactions with chain C, 2 interactions with chain D Hydrogen bonds: C:E.51, C:Q.56, C:Q.61, C:Q.61, C:N.90, C:N.90, D:R.33, D:R.33, C:H.13, C:Q.61 Hydrophobic interactions: C:H.13, D:K.34 Water bridges: C:Q.61 Salt bridges: C:H.13 BGC-GAL-NGA-GAL-SIA.2: 12 residues within 4Å: Chain D: Y.12, H.13, N.14, E.51, Q.56, H.57, Q.61, W.88, N.90, K.91 Chain E: R.33, K.34 7 PLIP interactions: 5 interactions with chain D, 2 interactions with chain E Hydrogen bonds: D:E.51, D:Q.56, D:H.57, D:Q.61, D:N.90, D:N.90, E:R.33, E:R.33, E:R.33, D:H.13, D:Q.56 Hydrophobic interactions: D:H.13, E:K.34 Water bridges: D:Q.61, D:Q.61 Salt bridges: D:H.13

1 x CL: CHLORIDE ION(Non-functional Binders)

CL.3: 2 residues within 4Å: Chain E: Y.12, H.13 Ligand excluded by PLIP

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Merritt, E.A. et al., Structural studies of receptor binding by cholera toxin mutants. Protein Sci. (1997)

Release Date

1997-10-15

Peptides

CHOLERA TOXIN: ABCDE

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
D

B
E

C
F

D
G

E
H

CHOLERA TOXIN