MolNFT v1 · #188233 · protein
Crystal structure of SARS-cov-2 3CL in complex with inhibitor NK01-14
7TIA: “Crystal structure of SARS-cov-2 3CL in complex with inhibitor NK01-14”. X-ray diffraction, 2 ligands (XTP, SCN). MolNFT v1 #188233 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7TIA
- Type
- protein
- Length
- 303 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTC1
- Ligands
- XTP, SCN
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 303 | — | P0DTC1 |
Ligands and binding sites
- XTP · benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate · ligand · chains A
- SCN · Thiocyanate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7TIA · Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-14 · the same entry in another collection · chain A against A, TM-score 1.00
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 P0DTC1
- Elsewhere: RCSB PDB 7TIA · PDBe 7TIA · UniProt P0DTC1
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