SMTL ID : 5g3l.1

ESCHERICHIA COLI HEAT LABILE ENTEROTOXIN TYPE IIB B-PENTAMER COMPLEXED WITH SIALYLATED SUGAR

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 1.72 Å

Oligo State

hetero-3-2-mer

Ligands

3 x GAL- SIA: N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose(Non-functional Binders)(Non-covalent)

GAL-SIA.1: 6 residues within 4Å: Chain A: T.13, T.14, W.92 Chain B: I.30, N.31, N.32 5 PLIP interactions: 2 interactions with chain A, 3 interactions with chain B Hydrophobic interactions: A:W.92 Hydrogen bonds: A:T.14, B:N.31, B:N.32, B:N.32 GAL-SIA.2: 6 residues within 4Å: Chain D: T.13, T.14, W.92 Chain E: I.30, N.31, N.32 6 PLIP interactions: 3 interactions with chain D, 3 interactions with chain E Hydrophobic interactions: D:W.92, E:I.30 Hydrogen bonds: D:T.14, E:N.31, E:N.32 Water bridges: D:T.14 GAL-SIA.3: 6 residues within 4Å: Chain A: I.30, N.31, N.32 Chain E: T.13, T.14, W.92 7 PLIP interactions: 4 interactions with chain E, 3 interactions with chain A Hydrophobic interactions: E:W.92 Hydrogen bonds: E:T.14, A:N.31, A:N.32, A:N.32 Water bridges: E:S.83, E:S.83

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

NA.4: 2 residues within 4Å: Chain A: T.13, A.15 2 PLIP interactions: 2 interactions with chain A Hydrogen bonds: A:T.13 Water bridges: A:N.11 NA.5: 4 residues within 4Å: Chain B: C.10, N.11, T.13, A.15 1 PLIP interactions: 1 interactions with chain B Hydrogen bonds: B:C.10 NA.7: 4 residues within 4Å: Chain D: C.10, N.11, T.13, A.15 2 PLIP interactions: 2 interactions with chain D Hydrogen bonds: D:T.13, D:T.13 NA.9: 4 residues within 4Å: Chain E: C.10, N.11, T.13, A.15 3 PLIP interactions: 3 interactions with chain E Hydrogen bonds: E:T.13 Water bridges: E:L.17, E:L.17

2 x SIA: N-acetyl-alpha-neuraminic acid(Non-covalent)(Non-functional Binders)

SIA.6: 6 residues within 4Å: Chain B: T.13, T.14, W.92 Chain C: I.30, N.31, N.32 5 PLIP interactions: 2 interactions with chain B, 3 interactions with chain C Hydrophobic interactions: B:W.92 Hydrogen bonds: B:T.14, C:N.31, C:N.32, C:N.32 SIA.8: 6 residues within 4Å: Chain C: Y.55 Chain D: R.51, A.52, K.53, D.54 Chain E: I.30 9 PLIP interactions: 6 interactions with chain D, 2 interactions with chain C, 1 interactions with chain E Hydrogen bonds: D:R.51, D:K.53, D:D.54, D:D.54, C:Y.55, C:Y.55 Water bridges: D:R.51 Salt bridges: D:R.51 Hydrophobic interactions: E:I.30

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Zalem, D. et al., Biochemical and Structural Characterization of the Novel Sialic Acid-Binding Site of Escherichia Coli Heat-Labile Enterotoxin Lt-Iib. Biochem.J. (2016)

Release Date

2016-09-14

Peptides

HEAT-LABILE ENTEROTOXIN IIB, B CHAIN: ABE
HEAT-LABILE ENTEROTOXIN IIB, B CHAIN: CD

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
D

B
E

E
H

C
F

D
G

HEAT-LABILE ENTEROTOXIN IIB, B CHAIN

HEAT-LABILE ENTEROTOXIN IIB, B CHAIN

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