MolNFT v1 · #48426 · protein
Crystal structure of human kallikrein 5 in complex with leupeptin and zinc
2PSY · Kallikrein-5: “Crystal structure of human kallikrein 5 in complex with leupeptin and zinc”. X-ray diffraction, 3 ligands (ACE, NAG, ZN), 1 pocket (best druggability 0.59). MolNFT v1 #48426 on GenesisL1: 3D structure, binding sites…
- PDB
- 2PSY
- Type
- protein
- Length
- 230 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kallikrein-5; Leupeptin
- EC
- 3.4.21.-
- UniProt
- Q9Y337
- Ligands
- ACE, NAG, ZN
- Pockets
- 1 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Kallikrein-5 (EC 3.4.21.-) | protein | 227 | 10% helix, 34% strand | Q9Y337 |
| B | Leupeptin | protein | 3 | 0% helix, 33% strand | — |
Ligands and binding sites
- ACE · Acetyl group · ligand · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- ZN · Zinc ion · metal · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 64 | 0.59 | 0.90 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 385 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 1 covalent, 1 glycan, 1 modified (disulfide, covalent ligand, N-glycosylation, nonstandard).
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 Q9Y337
- Elsewhere: RCSB PDB 2PSY · PDBe 2PSY · UniProt Q9Y337
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