MolNFT v2 · #171651 · protein

Human Ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in the closed form in crystal form IV

6XUE: “Human Ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in the closed form in…”. X-ray diffraction at 1.94, 4 ligands (O1H, ZN, CA). MolNFT v2 #171651 on GenesisL1: 3D structure, binding sites and…

PDB: 6XUE
Type: protein
Length: 1,030 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.94
Source: Homo sapiens
UniProt: P21589
Ligands: O1H, ZN, CA, PO4

Structure

x-ray diffraction · resolution 1.94 · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	516	—	P21589
B	—	protein	514	—	P21589

Ligands and binding sites

O1H · 4-[[5-[7-chloranyl-3-(1~{H}-indazol-6-yl)benzotriazol-5-yl]pyrazol-1-yl]methyl]benzenecarbonitrile · ligand · 2 copies · chains A, B
ZN · Zinc ion · metal · 4 copies · chains A, B
CA · Calcium ion · metal · 2 copies · chains A, B
PO4 · Phosphate ion · ion · 2 copies · chains A, B

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

Compared structures

6XUE · Human ecto-5'-nucleotidase (CD73) in complex with A2396 (compound 74 in publication) in… · the same entry in another collection · chain A against A, TM-score 1.00
P21589 · AlphaFold monomer V2.0 prediction for 5'-nucleotidase (P21589) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P21589
Elsewhere: RCSB PDB 6XUE · PDBe 6XUE · UniProt P21589

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