MolNFT v1 · #161467 · protein

Crystal structure of human kallikrein 6 (I218Y) in complex with GSK144

6QFG · Kallikrein-6: “Crystal structure of human kallikrein 6 (I218Y) in complex with GSK144”. X-ray diffraction, 1 ligand (J08), 3 pockets (best druggability 0.71). MolNFT v1 #161467 on GenesisL1: 3D structure, binding sites and pockets…

PDB: 6QFG
Type: protein
Length: 445 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 0.71

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 38% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Kallikrein-6 (EC 3.4.21.-)	protein	223	10% helix, 38% strand	Q92876
B	Kallikrein-6 (EC 3.4.21.-)	protein	222	10% helix, 38% 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 A, 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	674	0.71	0.78	69	J08
2	102	0.47	0.80	31	empty
3	53	0.34	0.78	16	empty

Interfaces

1 interface between chains.

A–B · 543 Å² buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

6QFG · Crystal Structure of Human Kallikrein 6 (I218Y) 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 B 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 6QFG · PDBe 6QFG · UniProt Q92876

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.