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

Crystal Structure of the Vibrio vulnificus Hemolysin/Cytolysin Beta-Trefoil Lectin

Coordinates

PDB Format

Method

X-RAY DIFFRACTION 2.00 Å

Oligo State

homo-heptamer

Ligands

14 x GOL: GLYCEROL(Non-functional Binders)

GOL.1: 8 residues within 4Å: Chain A: D.20, V.21, Y.22, K.28, W.38, H.41, N.45, Q.46 3 PLIP interactions: 3 interactions with chain A Hydrogen bonds: A:K.28, A:H.41, A:N.45 GOL.2: 5 residues within 4Å: Chain A: W.89, G.91, D.92, K.130, P.131 2 PLIP interactions: 2 interactions with chain A Water bridges: A:W.89, A:G.91 GOL.3: 8 residues within 4Å: Chain B: D.20, V.21, Y.22, K.28, W.38, H.41, N.45, Q.46 5 PLIP interactions: 5 interactions with chain B Hydrogen bonds: B:D.20, B:D.20, B:K.28, B:H.41, B:N.45 GOL.4: 5 residues within 4Å: Chain B: W.89, G.91, D.92, K.130, P.131 2 PLIP interactions: 2 interactions with chain B Hydrogen bonds: B:G.91 Water bridges: B:G.91 GOL.5: 8 residues within 4Å: Chain C: D.20, V.21, Y.22, K.28, W.38, H.41, N.45, Q.46 5 PLIP interactions: 5 interactions with chain C Hydrogen bonds: C:D.20, C:D.20, C:K.28, C:H.41, C:N.45 GOL.6: 4 residues within 4Å: Chain C: W.89, G.91, D.92, P.131 1 PLIP interactions: 1 interactions with chain C Hydrogen bonds: C:G.91 GOL.7: 8 residues within 4Å: Chain D: D.20, V.21, Y.22, K.28, W.38, H.41, N.45, Q.46 4 PLIP interactions: 4 interactions with chain D Hydrogen bonds: D:K.28, D:H.41, D:N.45 Water bridges: D:N.45 GOL.8: 4 residues within 4Å: Chain D: W.89, G.91, D.92, P.131 2 PLIP interactions: 2 interactions with chain D Hydrogen bonds: D:G.91, D:G.91 GOL.9: 8 residues within 4Å: Chain E: D.20, V.21, Y.22, K.28, W.38, H.41, N.45, Q.46 5 PLIP interactions: 5 interactions with chain E Hydrogen bonds: E:D.20, E:K.28, E:H.41, E:N.45, E:N.45 GOL.10: 6 residues within 4Å: Chain E: W.89, G.91, D.92, W.129, K.130, P.131 1 PLIP interactions: 1 interactions with chain E Water bridges: E:G.91 GOL.11: 8 residues within 4Å: Chain F: D.20, V.21, Y.22, K.28, W.38, H.41, N.45, Q.46 5 PLIP interactions: 5 interactions with chain F Hydrogen bonds: F:D.20, F:K.28, F:H.41, F:N.45 Water bridges: F:N.45 GOL.12: 5 residues within 4Å: Chain F: W.89, G.91, D.92, K.130, P.131 2 PLIP interactions: 2 interactions with chain F Hydrogen bonds: F:G.91 Water bridges: F:G.91 GOL.13: 8 residues within 4Å: Chain G: D.20, V.21, Y.22, K.28, W.38, H.41, N.45, Q.46 5 PLIP interactions: 5 interactions with chain G Hydrogen bonds: G:D.20, G:K.28, G:H.41, G:N.45 Water bridges: G:N.45 GOL.14: 5 residues within 4Å: Chain G: W.89, G.91, D.92, K.130, P.131 No protein-ligand interaction detected (PLIP)

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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