MolNFT v1 · #105400 · protein
Structure of karilysin propeptide and catalytic mmp domain
4R3V: “Structure of karilysin propeptide and catalytic mmp domain”. X-ray diffraction, 2 ligands (ZN, CA), 4 pockets (best druggability 0.72). MolNFT v1 #105400 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4R3V
- Type
- protein
- Length
- 358 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Karilysin
- EC
- 3.4.24.-
- UniProt
- D0EM77
- Ligands
- ZN, CA
- Pockets
- 4 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Karilysin (EC 3.4.24.-) | protein | 179 | 25% helix, 18% strand | D0EM77 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 234 | 0.72 | 0.87 | 39 | empty |
| 2 | 65 | 0.34 | 0.77 | 20 | empty |
| 3 | 71 | 0.33 | 0.75 | 20 | empty |
| 4 | 50 | 0.26 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 997 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
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 D0EM77
- Elsewhere: RCSB PDB 4R3V · PDBe 4R3V · UniProt D0EM77
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