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MolNFT v1 · #161738 · protein

Crystal structure of the binding domain of botulinum neurotoxin type B mutant I1248W/V1249W in complex with human synaptotagmin 1 and GD1A receptors

6QNS: “Crystal structure of the binding domain of botulinum neurotoxin type B mutant I1248W/V1249W in complex with…”. X-ray diffraction, 4 ligands (GAL, SIA, BGC). MolNFT v1 #161738 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6QNS
Type
protein
Length
446 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P10844, P21579
Ligands
GAL, SIA, BGC, NGA

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein430—P10844
S—protein16—P21579

Ligands and binding sites

  • GAL · beta-D-galactopyranose · sugar · 2 copies · chains A
  • SIA · N-acetyl-alpha-neuraminic acid · sugar · 2 copies · chains A
  • BGC · beta-D-glucopyranose · sugar
  • NGA · 2-acetamido-2-deoxy-beta-D-galactopyranose · sugar · chains A

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

Compared structures

  • 6QNS · Crystal structure of the binding domain of Botulinum Neurotoxin type B mutant… · the same entry in another collection · chain A against A, TM-score 1.00
  • P10844 · AlphaFold monomer V2.0 prediction for botulinum neurotoxin type B (P10844) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • P21579 · AlphaFold monomer V2.0 prediction for synaptotagmin-1 (P21579) · a predicted model of the same protein · chain S against A, TM-score 0.64

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