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MolNFT v1 · #152759 · protein

Crystal structure of human CD226

6ISB · CD226 antigen: “Crystal structure of human CD226”. X-ray diffraction, 7 pockets (best druggability 0.81). MolNFT v1 #152759 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6ISB
Type
protein
Length
544 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
CD226 antigen
UniProt
Q15762
Pockets
7 · best druggability 0.81

Structure

x-ray diffraction · 3 distinct chains · 6% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACD226 antigenprotein2215% helix, 48% strandQ15762
BCD226 antigenprotein2187% helix, 48% strandQ15762
CCD226 antigenprotein1056% helix, 49% strandQ15762

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111720.810.82107empty
2570.380.8022empty
3950.360.7521empty
4730.320.7414empty
5540.300.7517empty

Interfaces

3 interfaces between chains.

  • A–C · 910 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 784 Ų buried · 15 hydrogen bonds · protein-protein
  • B–C · 484 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 6ISB · crystal structure of human CD226 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q15762 · AlphaFold monomer V2.0 prediction for CD226 antigen (Q15762) · a predicted model of the same protein · chain C against A, TM-score 0.91

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