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MolNFT v1 · #182862 · protein

Structure of uncleaved HIV-1 jr-fl env glycoprotein trimer in state U1 bound to small molecule HIV-1 entry inhibitor bms-378806

7N6U: “Structure of uncleaved HIV-1 jr-fl env glycoprotein trimer in state U1 bound to small molecule HIV-1 entry…”. Electron microscopy, 5 ligands (83G, NAG, BMA). MolNFT v1 #182862 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7N6U
Type
protein
Length
1,776 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q75760
Ligands
83G, NAG, BMA, MAN, FUC

Structure

electron microscopy · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein591—Q75760
B—protein595—Q75760
C—protein590—Q75760

Ligands and binding sites

  • 83G · 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione · ligand · 3 copies · chains A, B, C
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 102 copies · chains A, B, C
  • BMA · beta-D-mannopyranose · sugar · 25 copies
  • MAN · alpha-D-mannopyranose · sugar · 19 copies · chains B, C
  • FUC · alpha-L-fucopyranose · sugar · 2 copies · chains B, C

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

Compared structures

  • 7N6U · Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U1 bound to small… · the same entry in another collection · chain A against A, TM-score 1.00

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