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MolNFT v1 · #82657 · protein

HIV fusion inhibitor mt-C34

3VTP · Transmembrane protein GP41: “HIV fusion inhibitor mt-C34”. X-ray diffraction, 2 ligands (ACE, NH2). MolNFT v1 #82657 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3VTP
Type
protein
Length
68 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transmembrane protein GP41
UniProt
P03377
Ligands
ACE, NH2

Structure

x-ray diffraction · 2 distinct chains · 91% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
CTransmembrane protein GP41protein4195% helix, 0% strandP03377
DTransmembrane protein GP41protein2785% helix, 0% strandP03377

Ligands and binding sites

  • ACE · Acetyl group · ligand · 2 copies · chains C, D
  • NH2 · Amino group · ion · chains C

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

Interfaces

1 interface between chains.

  • C–D · 460 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 3VTP · HIV fusion inhibitor MT-C34 · the same entry in another collection · chain C against C, TM-score 1.00

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