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MolNFT v2 · #182642 · protein

Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011221-001

7H00: “Crystal structure of SARS-CoV-2 NSP3 Macrodomain in complex with ASAP-0011221-001”. X-ray diffraction at 1.18, 1 ligand (A1ALQ). MolNFT v2 #182642 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7H00
Type
protein
Length
167 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.18
Source
Severe acute respiratory syndrome coronavirus 2
UniProt
P0DTD1
Ligands
A1ALQ

Structure

x-ray diffraction · resolution 1.18 · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein167—P0DTD1

Ligands and binding sites

  • A1ALQ · (4M)-4-(4-{[(1S)-1-(2,3-dihydro[1,4]dioxino[2,3-b]pyridin-6-yl)-2,2-dimethylpropyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-1-methyl-1H-pyrazole-5-carbonitrile · ligand · chains A

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

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