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Crystal structure of dettilon tailspike protein (GP208)

Analyse Crystal structure of dettilon tailspike protein (GP208) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6F7K
Type
protein
Length
3,281 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tailspike
UniProt
A0A0C5PVE3
Ligands
RAM, BMA, GLA
Pockets
20 · best druggability 0.89

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATailspikeprotein5468% helix, 45% strandA0A0C5PVE3
B, C, D, F, GTailspikeprotein5478% helix, 46% strandA0A0C5PVE3

Ligands and binding sites

  • RAM · alpha-L-rhamnopyranose · sugar · 12 copies · chains A, B, C, D, F, G
  • BMA · beta-D-mannopyranose · sugar · 12 copies · chains A, B, C, D, F, G
  • GLA · alpha-D-galactopyranose · sugar · 12 copies · chains A, B, C, D, F, G
  • EDO · 1,2-ethanediol · additive · chains A

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

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110930.890.91128empty
211850.890.90133empty
31760.830.9728empty
41520.820.9828empty
51790.820.9618empty

Interfaces

7 interfaces between chains.

  • B–C · 3103 Ų buried · 43 hydrogen bonds · protein-protein
  • B–D · 3094 Ų buried · 42 hydrogen bonds · protein-protein
  • C–D · 3091 Ų buried · 43 hydrogen bonds · protein-protein
  • A–F · 3089 Ų buried · 41 hydrogen bonds · protein-protein
  • A–G · 3051 Ų buried · 44 hydrogen bonds · protein-protein

Compared structures

  • 6F7K · Crystal structure of Dettilon tailspike protein (gp208) · the same entry in another collection · chain A against A, TM-score 1.00

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