MolNFT v1 · #170642 · protein
Human ecto-5'-nucleotidase (CD73) in complex with the ampcp derivative A894 (compound 2N in publication) in the closed form (crystal form IV)
6YE1: “Human ecto-5'-nucleotidase (CD73) in complex with the ampcp derivative A894 (compound 2N in publication) in…”. X-ray diffraction, 2 ligands (OO2, ZN). MolNFT v1 #170642 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6YE1
- Type
- protein
- Length
- 1,045 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P21589
- Ligands
- OO2, ZN
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 524 | — | P21589 |
| B | — | protein | 521 | — | P21589 |
Ligands and binding sites
- OO2 · [(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-(cyclopentylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxymethylphosphonic acid · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6YE1 · Human Ecto-5'-nucleotidase (CD73) in complex with the AMPCP derivative A894 (compound 2n… · 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 6YE1 · PDBe 6YE1 · UniProt P21589
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