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MolNFT v1 · #28369 · protein

CABAN33 vhh fragment against vsg

1YC7 · Anti-vsg immunoglobulin heavy chain variable domain CABAN33: “CABAN33 vhh fragment against vsg”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.52). MolNFT v1 #28369 on GenesisL1: 3D structure, binding sites and…

PDB
1YC7
Type
protein
Length
230 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Anti-vsg immunoglobulin heavy chain variable domain CABAN33
Ligands
SO4
Pockets
1 · best druggability 0.52

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAnti-vsg immunoglobulin heavy chain variable domain CABAN33protein1165% helix, 55% strand—
BAnti-vsg immunoglobulin heavy chain variable domain CABAN33protein1145% helix, 54% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11820.520.7835empty

Interfaces

1 interface between chains.

  • A–B · 511 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 1YC7 · cAbAn33 VHH fragment against VSG · the same entry in another collection · chain A against A, TM-score 1.00

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