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MolNFT v1 · #157284 · protein

Crystal structure of HIV-1 BG505 SOSIP.664 prefusion env trimer bound to small molecule HIV-1 entry inhibitor bms-818251 in complex with human antibodies 3H109L and 35O22 at 3.1 ångström

6MU7: “Crystal structure of HIV-1 BG505 SOSIP.664 prefusion env trimer bound to small molecule HIV-1 entry inhibitor…”. X-ray diffraction, 4 ligands (JYY, NAG, MAN). MolNFT v1 #157284 on GenesisL1: 3D structure, binding sites and pockets…

PDB
6MU7
Type
protein
Length
1,245 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q2N0S6
Ligands
JYY, NAG, MAN, BMA

Structure

x-ray diffraction · 6 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
B—protein133—Q2N0S6
D—protein128——
E—protein105——
G—protein442—Q2N0S6
H—protein226——
L—protein211——

Ligands and binding sites

  • JYY · 4-{3-[{4-[(R)-cyano(phenyl)methyl]piperidin-1-yl}(oxo) acetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl}-N-(2-hydroxyethyl)-1,3-thiazole-2-carboxamide · ligand · chains G
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 26 copies · chains B, D, G, H, E
  • MAN · alpha-D-mannopyranose · sugar · 10 copies · chains D, E, H, L
  • BMA · beta-D-mannopyranose · sugar · 4 copies · chains D, E, H

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

Compared structures

  • 6MU7 · Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule… · the same entry in another collection · chain B against B, TM-score 1.00

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