Research workbench
Human kallikrein-related peptidase 7 (KLK7) in the unliganded state
Analyse Human kallikrein-related peptidase 7 (KLK7) in the unliganded state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6Y4S
- Type
- protein
- Length
- 672 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kallikrein-7
- EC
- 3.4.21.117
- UniProt
- P49862
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 12% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Kallikrein-7 (EC 3.4.21.117) | protein | 224 | 12% helix, 36% strand | P49862 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 14 copies · chains A, B, C
- PGE · Triethylene glycol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1110 | 0.83 | 0.84 | 111 | PGE |
| 2 | 371 | 0.64 | 0.79 | 39 | empty |
| 3 | 70 | 0.44 | 0.82 | 21 | empty |
| 4 | 51 | 0.35 | 0.79 | 18 | empty |
| 5 | 50 | 0.35 | 0.79 | 17 | SO4 |
Interfaces
3 interfaces between chains.
- A–B · 713 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 577 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 234 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 18 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 P49862
- Elsewhere: RCSB PDB 6Y4S · PDBe 6Y4S · UniProt P49862
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