MolNFT v1 · #188513 · protein
The crystal structure of SARS-cov-2 omicron mpro (P132H) in complex with demethylated analog of masitinib
7TVS: “The crystal structure of SARS-cov-2 omicron mpro (P132H) in complex with demethylated analog of masitinib”. X-ray diffraction, 1 ligand (XNJ). MolNFT v1 #188513 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7TVS
- Type
- protein
- Length
- 301 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P0DTC1
- Ligands
- XNJ
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 301 | — | P0DTC1 |
Ligands and binding sites
- XNJ · N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7TVS · The Crystal Structure of SARS-CoV-2 Omicron Mpro (P132H) in complex with demethylated… · 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 7TVS · PDBe 7TVS · UniProt P0DTC1
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