MolNFT v1 · #179381 · protein
Crystal structure of SARS-cov-2 main protease (3CLPRO/MPRO) at 1.2 a resolution and a possible capture of zinc binding intermediate
7K3T · 3C-like proteinase: “Crystal structure of SARS-cov-2 main protease (3CLPRO/MPRO) at 1.2 a resolution and a possible capture of…”. X-ray diffraction, 1 ligand (ZN), 4 pockets (best druggability 0.49). MolNFT v1 #179381 on GenesisL1…
- PDB
- 7K3T
- Type
- protein
- Length
- 306 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3C-like proteinase
- EC
- 3.4.22.69
- UniProt
- P0DTD1
- Ligands
- ZN
- Pockets
- 4 · best druggability 0.49
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3C-like proteinase (EC 3.4.22.69) | protein | 306 | 25% helix, 29% strand | P0DTD1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 54 | 0.49 | 0.86 | 15 | DMS |
| 2 | 191 | 0.49 | 0.76 | 26 | DMS, ZN |
| 3 | 77 | 0.36 | 0.76 | 17 | empty |
| 4 | 56 | 0.25 | 0.73 | 18 | empty |
Compared structures
- 7K3T · Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) at 1.2 A Resolution and a… · 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 P0DTD1
- Elsewhere: RCSB PDB 7K3T · PDBe 7K3T · UniProt P0DTD1
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