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MolNFT v1 · #82673 · protein

Short peptide HIV entry inhibitor SC22EK

3VU5 · Transmembrane protein GP41: “Short peptide HIV entry inhibitor SC22EK”. X-ray diffraction, 4 ligands (ACE, NH2, SO4). MolNFT v1 #82673 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3VU5
Type
protein
Length
60 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transmembrane protein GP41; SC22
UniProt
P03375
Ligands
ACE, NH2, SO4, NH4

Structure

x-ray diffraction · 2 distinct chains · 93% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATransmembrane protein GP41protein3895% helix, 0% strandP03375
BSC22protein2291% helix, 0% strand—

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains B
  • NH2 · Amino group · ion · chains A
  • SO4 · Sulfate ion · ion · chains A
  • NH4 · Ammonium ion · ion · chains A

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

Interfaces

1 interface between chains.

  • A–B · 413 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 3VU5 · Short peptide HIV entry Inhibitor SC22EK · the same entry in another collection · chain A against A, TM-score 1.00

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