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MolNFT v1 · #97916 · protein

Fab fragment of HIV vaccine-elicited CD4BS-directed antibody, GE148, from non-human primate

4KTE · GE148 heavy chain Fab: “Fab fragment of HIV vaccine-elicited CD4BS-directed antibody, GE148, from non-human primate”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.60). MolNFT v1 #97916 on GenesisL1: 3D…

PDB
4KTE
Type
protein
Length
436 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GE148 heavy chain Fab; GE148 light chain Fab
Ligands
SO4
Pockets
2 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 7% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HGE148 heavy chain Fabprotein2197% helix, 55% strand—
LGE148 light chain Fabprotein2177% helix, 53% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains H, L
  • GOL · Glycerol · additive · chains H

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15400.600.7458empty
2540.290.7516empty

Interfaces

1 interface between chains.

  • H–L · 1754 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide, 2 modified (disulfide, cyclization).

Compared structures

  • 4KTE · Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE148, from non-human… · the same entry in another collection · chain H against H, TM-score 1.00

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