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MolNFT v1 · #131696 · protein

Crystal structure of human cathepsin-S with bound ligand

5QC5: “Crystal structure of human cathepsin-S with bound ligand”. X-ray diffraction, 1 ligand (BAJ). MolNFT v1 #131696 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5QC5
Type
protein
Length
440 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P25774
Ligands
BAJ

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein220—P25774
B—protein220—P25774

Ligands and binding sites

  • BAJ · 1-[5-{1-[3-(4-tert-butylpiperidin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]-N-[(4-fluorophenyl)methyl]methanamine · ligand · 2 copies · chains A, B

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

Compared structures

  • 5QC5 · Crystal structure of human Cathepsin-S with bound ligand · the same entry in another collection · chain A against A, TM-score 1.00
  • P25774 · AlphaFold monomer V2.0 prediction for cathepsin S (P25774) · a predicted model of the same protein · chain A against A, TM-score 0.99

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