Research workbench
Crystal structure of human kallikrein 6 in complex with GSK578724A
Analyse Crystal structure of human kallikrein 6 in complex with GSK578724A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6QHB
- 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
- J2W
- Pockets
- 2 · 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
- J2W · ~{N}-(4-carbamimidoylphenyl)-3-methoxy-2-oxidanyl-benzamide · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 657 | 0.71 | 0.78 | 77 | J2W |
| 2 | 52 | 0.57 | 0.90 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 468 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
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 Q92876
- Elsewhere: RCSB PDB 6QHB · PDBe 6QHB · UniProt Q92876
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