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MolNFT v1 · #47774 · protein

Crystal structure of the HIV-1 cross neutralizing monoclonal antibody 2F5 in complex with GP41 peptide elleldkwaslwn

2P8L · Nmab 2F5, light chain: “Crystal structure of the HIV-1 cross neutralizing monoclonal antibody 2F5 in complex with GP41 peptide…”. X-ray diffraction, 2 pockets (best druggability 0.56). MolNFT v1 #47774 on GenesisL1: 3D structure…

PDB
2P8L
Type
protein
Length
447 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nmab 2F5, light chain; Nmab 2F5, heavy chain; GP41 peptide
Pockets
2 · best druggability 0.56

Structure

x-ray diffraction · 3 distinct chains · 5% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANmab 2F5, light chainprotein2145% helix, 50% strand—
BNmab 2F5, heavy chainprotein2225% helix, 50% strand—
CGP41 peptideprotein110% helix, 18% strand—

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13680.560.7551empty
2580.280.7417empty

Interfaces

3 interfaces between chains.

  • A–B · 1801 Ų buried · 16 hydrogen bonds · protein-protein
  • B–C · 402 Ų buried · 9 hydrogen bonds · protein-protein
  • A–C · 381 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 2P8L · Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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