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MolNFT v1 · #182954 · protein

Full-length tcdb and CSPG4 (401-560) complex

7N9Y · Chondroitin sulfate proteoglycan 4: “Full-length tcdb and CSPG4 (401-560) complex”. Electron microscopy, 20 pockets (best druggability 0.66). MolNFT v1 #182954 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7N9Y
Type
protein
Length
2,505 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chondroitin sulfate proteoglycan 4; Toxin B
EC
3.4.22.-
UniProt
Q6UVK1, P18177
Pockets
20 · best druggability 0.66

Structure

electron microscopy · 2 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BChondroitin sulfate proteoglycan 4protein1400% helix, 0% strandQ6UVK1
AToxin B (EC 3.4.22.-)protein23650% helix, 0% strandP18177

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16160.660.76109empty
27170.620.72106empty
36330.620.7384empty
44700.570.7375empty
54390.550.7273empty

Interfaces

1 interface between chains.

  • B–A · 82 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7N9Y · Full-length TcdB and CSPG4 (401-560) complex · the same entry in another collection · chain B against B, TM-score 1.00
  • Q6UVK1 · AlphaFold monomer V2.0 prediction for chondroitin sulfate proteoglycan 4 (Q6UVK1) · a predicted model of the same protein · chain B against A, TM-score 0.91

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