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MolNFT v1 · #95527 · protein

Crystal structure of the Fab fragment of 1C2, a monoclonal antibody specific for poly-glutamine

4ISV · 1C2 Fab light chain: “Crystal structure of the Fab fragment of 1C2, a monoclonal antibody specific for poly-glutamine”. X-ray diffraction, 5 pockets (best druggability 0.65). MolNFT v1 #95527 on GenesisL1: 3D structure, binding…

PDB
4ISV
Type
protein
Length
429 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
1C2 Fab light chain; 1C2 Fab heavy chain
Pockets
5 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 9% helix, 56% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A1C2 Fab light chainprotein2177% helix, 57% strand—
B1C2 Fab heavy chainprotein21210% helix, 54% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16220.650.7559empty
2800.330.7520empty
3750.320.7417empty
4700.280.7216empty
5560.270.7314empty

Interfaces

1 interface between chains.

  • A–B · 1792 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 4ISV · Crystal structure of the Fab FRAGMENT OF 1C2, A MONOCLONAL ANTIBODY SPECIFIC FOR… · the same entry in another collection · chain A against A, TM-score 1.00

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