MolNFT v1 · #161468 · protein
Crystal structure of human kallikrein 6 (N217D/I218Y/K224R) in complex with GSK144.
6QFH · Kallikrein-6: “Crystal structure of human kallikrein 6 (N217D/I218Y/K224R) in complex with GSK144.”. X-ray diffraction, 1 ligand (J08), 3 pockets (best druggability 0.73). MolNFT v1 #161468 on GenesisL1: 3D structure, binding sites…
- PDB
- 6QFH
- Type
- protein
- Length
- 444 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kallikrein-6
- EC
- 3.4.21.-
- UniProt
- Q92876
- Ligands
- J08
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Kallikrein-6 (EC 3.4.21.-) | protein | 222 | 10% helix, 39% strand | Q92876 |
Ligands and binding sites
- J08 · 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 763 | 0.73 | 0.79 | 69 | J08 |
| 2 | 91 | 0.49 | 0.82 | 27 | empty |
| 3 | 54 | 0.29 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 568 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 6QFH · Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK144. · the same entry in another collection · chain A against A, TM-score 1.00
- Q92876 · AlphaFold monomer V2.0 prediction for kallikrein-6 (Q92876) · a predicted model of the same protein · 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 Q92876
- Elsewhere: RCSB PDB 6QFH · PDBe 6QFH · UniProt Q92876
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.