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Variant surface glycoprotein vsgsur bound to suramin

Analyse Variant surface glycoprotein vsgsur bound to suramin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6Z7B
Type
protein
Length
758 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Variant surface glycoprotein sur
UniProt
A0A291L8F4
Ligands
SVR, MAN, NAG, BMA
Pockets
4 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 50% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVariant surface glycoprotein surprotein38050% helix, 16% strandA0A291L8F4
BVariant surface glycoprotein surprotein37850% helix, 18% strandA0A291L8F4

Ligands and binding sites

  • SVR · 8,8'-[carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino]]bis-1,3,5-naphthalenetrisulfonic acid · ligand · chains A, B
  • MAN · alpha-D-mannopyranose · sugar · 12 copies · chains B, A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
  • BMA · beta-D-mannopyranose · sugar · 2 copies · chains B, A

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17120.790.8370empty
21970.540.7820NAG
31690.520.7920NAG
4510.240.7217empty

Interfaces

1 interface between chains.

  • A–B · 3795 Ų buried · 52 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

  • 6Z7B · Variant Surface Glycoprotein VSGsur bound to suramin · the same entry in another collection · chain A against A, TM-score 1.00

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