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Crystal structure of cmp kinase in complex with cdp and ADP from thermus thermophilus HB8

Analyse Crystal structure of cmp kinase in complex with cdp and ADP from thermus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3AKC
Type
protein
Length
208 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Cytidylate kinase
EC
2.7.4.14
UniProt
Q5SL35
Ligands
CDP, ADP, GD
Pockets
1 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACytidylate kinase (EC 2.7.4.14)protein20851% helix, 16% strandQ5SL35

Ligands and binding sites

  • CDP · Cytidine-5'-diphosphate · ligand · chains A
  • ADP · Adenosine-5'-diphosphate · ligand · chains A
  • GD · Gadolinium atom · metal · chains A

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
13250.690.8344CDP, ADP, GD

Compared structures

  • 3AKC · Crystal structure of CMP kinase in complex with CDP and ADP from Thermus thermophilus HB8 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5SL35 · AlphaFold monomer V2.0 prediction for cytidylate kinase (Q5SL35) · a predicted model of the same protein · chain A against A, TM-score 0.98

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