SMTL ID : 1eei.1

CHOLERA TOXIN B-PENTAMER COMPLEXED WITH METANITROPHENYL-ALPHA-D-GALACTOSE

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.00 Å

Oligo State

homo-pentamer

Ligands

5 x GAA: 3-nitrophenyl alpha-D-galactopyranoside(Non-covalent)

GAA.1: 10 residues within 4Å: Chain A: Y.12, E.51, Q.56, H.57, Q.61, W.88, N.90, K.91 Chain B: A.32, G.33 6 PLIP interactions: 6 interactions with chain A Hydrophobic interactions: A:W.88 Hydrogen bonds: A:Q.61, A:Q.61, A:N.90, A:N.90, A:K.91 GAA.2: 10 residues within 4Å: Chain B: Y.12, E.51, Q.56, H.57, Q.61, W.88, N.90, K.91 Chain C: A.32, G.33 7 PLIP interactions: 7 interactions with chain B Hydrogen bonds: B:Q.61, B:Q.61, B:N.90, B:N.90, B:K.91 Water bridges: B:E.51 Salt bridges: B:K.91 GAA.3: 10 residues within 4Å: Chain C: Y.12, E.51, Q.56, H.57, Q.61, W.88, N.90, K.91 Chain D: A.32, G.33 9 PLIP interactions: 9 interactions with chain C Hydrophobic interactions: C:W.88 Hydrogen bonds: C:Q.56, C:Q.61, C:Q.61, C:N.90, C:N.90, C:K.91 Water bridges: C:E.51, C:I.58 GAA.4: 10 residues within 4Å: Chain D: Y.12, E.51, Q.56, H.57, Q.61, W.88, N.90, K.91 Chain E: A.32, G.33 8 PLIP interactions: 8 interactions with chain D Hydrogen bonds: D:Q.56, D:Q.61, D:Q.61, D:N.90, D:N.90, D:K.91 Water bridges: D:I.58 Salt bridges: D:K.91 GAA.5: 10 residues within 4Å: Chain A: G.33 Chain E: Y.12, H.13, E.51, Q.56, H.57, Q.61, W.88, N.90, K.91 5 PLIP interactions: 5 interactions with chain E Hydrogen bonds: E:Q.61, E:Q.61, E:N.90, E:N.90, E:K.91

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Fan, E. et al., Exploration of the GM1 receptor-binding site of heat-labile enterotoxin and cholera toxin by phenyl-ring-containing galactose derivatives. Acta Crystallogr.,Sect.D (2001)

Release Date

2000-02-16

Peptides

PROTEIN (CHOLERA TOXIN B): ABCDE

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
D

B
E

C
F

D
G

E
H

PROTEIN (CHOLERA TOXIN B)

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