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The structure of the streptococcus gordonii surface protein sspb in complex with tev peptide provides clues to the adherence of oral streptococcal adherence to salivary agglutinin

Analyse The structure of the streptococcus gordonii surface protein sspb in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6TZL
Type
protein
Length
1,575 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Surface protein adhesin
UniProt
C9E3B4
Ligands
SO4
Pockets
15 · best druggability 0.75

Structure

x-ray diffraction · 4 distinct chains · 21% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASurface protein adhesinprotein38820% helix, 32% strandC9E3B4
BSurface protein adhesinprotein38420% helix, 32% strandC9E3B4
CSurface protein adhesinprotein40423% helix, 31% strandC9E3B4
DSurface protein adhesinprotein39922% helix, 31% strandC9E3B4

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 6 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

15 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14020.750.8559empty
25270.710.8076empty
34890.650.7752empty
44790.640.7748empty
54560.630.7747empty

Interfaces

4 interfaces between chains.

  • B–C · 604 Ų buried · 3 hydrogen bonds · protein-protein
  • B–D · 503 Ų buried · 2 hydrogen bonds · protein-protein
  • A–B · 425 Ų buried · 10 hydrogen bonds · protein-protein
  • C–D · 412 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 6TZL · The structure of the Streptococcus gordonii surface protein SspB in complex with TEV… · the same entry in another collection · chain A against A, TM-score 1.00

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