Research workbench
Crystal structure of human kallikrein 7 produced as a secretion protein in E.COLI
Analyse Crystal structure of human kallikrein 7 produced as a secretion protein in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3BSQ
- Type
- protein
- Length
- 667 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
- 6 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Kallikrein-7 (EC 3.4.21.117) | protein | 223 | 11% helix, 34% strand | P49862 |
| B | Kallikrein-7 (EC 3.4.21.117) | protein | 221 | 9% helix, 32% strand | P49862 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 16 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 958 | 0.85 | 0.86 | 116 | SO4 |
| 2 | 85 | 0.47 | 0.82 | 25 | SO4 |
| 3 | 83 | 0.40 | 0.78 | 22 | SO4 |
| 4 | 56 | 0.35 | 0.78 | 19 | empty |
| 5 | 62 | 0.34 | 0.78 | 13 | empty |
Interfaces
3 interfaces between chains.
- A–B · 696 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 601 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 212 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 disulfide (disulfide).
Compared structures
- 3BSQ · Crystal structure of human kallikrein 7 produced as a secretion protein in E.coli · the same entry in another collection · chain A against A, TM-score 1.00
- P49862 · AlphaFold monomer V2.0 prediction for kallikrein-7 (P49862) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 3BSQ · PDBe 3BSQ · UniProt P49862
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