MolNFT v1 · #138481 · protein
2.25 a resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 21
5WKM: “2.25 a resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 21”. X-ray diffraction, 2 ligands (N02, B6Y). MolNFT v1 #138481 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5WKM
- Type
- protein
- Length
- 301 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- A0A1L2E0X0
- Ligands
- N02, B6Y
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 301 | — | A0A1L2E0X0 |
Ligands and binding sites
- N02 · (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · ligand · chains A
- B6Y · (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 5WKM · 2.25 A resolution structure of MERS 3CL protease in complex with piperidine-based… · 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 A0A1L2E0X0
- Elsewhere: RCSB PDB 5WKM · PDBe 5WKM · UniProt A0A1L2E0X0
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