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MolNFT v1 · #66394 · protein

Crystal structure of human dck R104M/D133A in complex with L-dt and ADP

3HP1 · Deoxycytidine kinase: “Crystal structure of human dck R104M/D133A in complex with L-dt and ADP”. X-ray diffraction, 2 ligands (ADP, LLT), 2 pockets (best druggability 0.68). MolNFT v1 #66394 on GenesisL1: 3D structure, binding sites…

PDB
3HP1
Type
protein
Length
226 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Deoxycytidine kinase
EC
2.7.1.74
UniProt
P27707
Ligands
ADP, LLT
Pockets
2 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 57% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADeoxycytidine kinase (EC 2.7.1.74)protein22657% helix, 12% strandP27707

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • LLT · L-deoxythymidine · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12240.680.8540ADP, LLT
2530.310.7613empty

Compared structures

  • 3HP1 · Crystal structure of human dCK R104M/D133A in complex with L-dT and ADP · the same entry in another collection · chain A against A, TM-score 1.00
  • P27707 · AlphaFold monomer V2.0 prediction for deoxycytidine kinase (P27707) · a predicted model of the same protein · chain A against A, TM-score 0.99

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