SMTL ID : 4owl.1 (7 other biounits)

Crystal Structure of the Vibrio vulnificus Hemolysin/Cytolysin Beta-Trefoil Lectin with N-Acetyl-D-Lactosamine Bound

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.10 Å

Oligo State

homo-heptamer

Ligands

5 x NAG- GAL: beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose(Non-functional Binders)(Non-covalent)

NAG-GAL.1: 9 residues within 4Å: Chain B: D.20, V.21, Y.22, N.25, G.26, W.38, H.41, N.45, Q.46 4 PLIP interactions: 4 interactions with chain B Hydrogen bonds: B:D.20, B:H.41, B:N.45, B:Q.46 NAG-GAL.2: 10 residues within 4Å: Chain C: D.20, V.21, Y.22, N.25, G.26, K.28, W.38, H.41, N.45, Q.46 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:D.20, C:K.28, C:H.41, C:N.45, C:N.45, C:K.28 NAG-GAL.3: 10 residues within 4Å: Chain D: D.20, V.21, Y.22, N.25, G.26, K.28, W.38, H.41, N.45, Q.46 1 PLIP interactions: 1 interactions with chain D Hydrogen bonds: D:D.20, D:D.20, D:K.28, D:H.41, D:N.45, D:K.28 Water bridges: D:W.38 NAG-GAL.4: 10 residues within 4Å: Chain E: D.20, V.21, Y.22, N.25, G.26, K.28, W.38, H.41, N.45, Q.46 1 PLIP interactions: 1 interactions with chain E Hydrogen bonds: E:D.20, E:D.20, E:K.28, E:H.41, E:N.45, E:K.28 NAG-GAL.5: 10 residues within 4Å: Chain F: D.20, V.21, Y.22, N.25, G.26, K.28, W.38, H.41, N.45, Q.46 1 PLIP interactions: 1 interactions with chain F Hydrogen bonds: F:D.20, F:K.28, F:H.41, F:N.45, F:K.28

5 x GOL: GLYCEROL(Non-functional Binders)(Non-covalent)

GOL.6: 8 residues within 4Å: Chain A: D.20, V.21, Y.22, K.28, W.38, H.41, N.45, Q.46 4 PLIP interactions: 4 interactions with chain A Hydrogen bonds: A:D.20, A:K.28, A:H.41, A:N.45 GOL.7: 5 residues within 4Å: Chain C: W.89, G.91, D.92, K.130, P.131 2 PLIP interactions: 2 interactions with chain C Hydrogen bonds: C:G.91, C:G.91 GOL.8: 4 residues within 4Å: Chain D: W.89, G.91, D.92, P.131 3 PLIP interactions: 3 interactions with chain D Hydrogen bonds: D:G.91, D:G.91 Water bridges: D:G.91 GOL.9: 5 residues within 4Å: Chain E: W.89, G.91, D.92, K.130, P.131 No protein-ligand interaction detected (PLIP) GOL.10: 5 residues within 4Å: Chain F: W.89, G.91, D.92, K.130, P.131 1 PLIP interactions: 1 interactions with chain F Water bridges: F:G.91

1 x GAL: beta-D-galactopyranose(Non-covalent)

GAL.11: 7 residues within 4Å: Chain G: D.20, V.21, Y.22, W.38, H.41, N.45, Q.46 4 PLIP interactions: 4 interactions with chain G Hydrogen bonds: G:D.20, G:D.20, G:H.41, G:N.45

Links

RCSB   PDBe   PDBj   PDBsum   CATH   PLIP

Citation

Kaus, K. et al., Glycan Specificity of the Vibrio vulnificus Hemolysin Lectin Outlines Evolutionary History of Membrane Targeting by a Toxin Family. J.Mol.Biol. (2014)

Release Date

2014-05-28

Peptides

Cytolysin: ABCDEFG

SMTL:PDB

SMTL Chain Id:
PDB Chain Id:

A
A

B
B

C
C

D
D

E
E

F
F

G
G

Cytolysin

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