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MolNFT v1 · #121634 · protein

Crystal structure of human germline antibody IGHV1-69/IGKV4-1

5I18 · Fab light chain: “Crystal structure of human germline antibody IGHV1-69/IGKV4-1”. X-ray diffraction, 2 pockets (best druggability 0.67). MolNFT v1 #121634 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5I18
Type
protein
Length
430 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fab light chain; Fab heavy chain
Pockets
2 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
LFab light chainprotein2196% helix, 52% strand—
HFab heavy chainprotein21110% helix, 51% strand—

Ligands and binding sites

  • GOL · Glycerol · additive · 4 copies · chains L, 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
17470.670.7573GOL
21020.340.7323empty

Interfaces

1 interface between chains.

  • L–H · 1675 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 5I18 · Crystal structure of human germline antibody IGHV1-69/IGKV4-1 · the same entry in another collection · chain L against L, TM-score 1.00

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