GL1X · GenesisL1 explorer

MolNFT v1 · #179766 · protein

Antibody Fab bdbv-289

7KFG · Antibody Fab bdbv-289 heavy chain: “Antibody Fab bdbv-289”. X-ray diffraction, 5 pockets (best druggability 0.53). MolNFT v1 #179766 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7KFG
Type
protein
Length
434 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Antibody Fab bdbv-289 heavy chain; Antibody Fab bdbv-289 light chain
Pockets
5 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAntibody Fab bdbv-289 heavy chainprotein2231% helix, 53% strand—
BAntibody Fab bdbv-289 light chainprotein2116% helix, 51% strand—

Ligands and binding sites

  • PEG · Di(hydroxyethyl)ether · additive · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13600.530.7351PEG
21150.380.7426empty
3700.340.7618empty
4940.330.7315empty
5550.300.7615empty

Interfaces

1 interface between chains.

  • A–B · 1893 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 7KFG · Antibody Fab BDBV-289 · the same entry in another collection · chain A against A, TM-score 1.00

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