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Unliganded human CD73 (5'-nucleotidase) in the open state

Analyse Unliganded human CD73 (5'-nucleotidase) in the open state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6TVE
Type
protein
Length
524 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-nucleotidase
EC
3.1.3.5
UniProt
P21589
Ligands
ZN, CA
Pockets
4 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
P5'-nucleotidase (EC 3.1.3.5)protein52431% helix, 26% strandP21589

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains P
  • CA · Calcium ion · metal · chains P
  • DMS · Dimethyl sulfoxide · additive · 8 copies · chains P
  • GOL · Glycerol · additive · 3 copies · chains P

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14660.640.7761DMS
22830.630.8135empty
31270.440.7723GOL
4720.320.7420empty

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 6TVE · Unliganded human CD73 (5'-nucleotidase) in the open state · the same entry in another collection · chain P against P, TM-score 1.00
  • P21589 · AlphaFold monomer V2.0 prediction for 5'-nucleotidase (P21589) · a predicted model of the same protein · chain P against A, TM-score 0.69

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