Research workbench
Crystal structure of bbki complexed with human kallikrein 4
Analyse Crystal structure of bbki complexed with human kallikrein 4 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7JOS
- Type
- protein
- Length
- 2,716 residues
- Chains
- 14
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Kallikrein 4 (prostase, enamel matrix, prostate), isoform CRA_A; Kunitz-type inihibitor
- UniProt
- A0A0C4DFQ5, Q6VEQ7
- Pockets
- 20 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G, I, K, M | Kallikrein 4 (prostase, enamel matrix, prostate), isoform CRA_A | protein | 223 | 12% helix, 37% strand | A0A0C4DFQ5 |
| B, D, F, H, J, L, N | Kunitz-type inihibitor | protein | 165 | 2% helix, 47% strand | Q6VEQ7 |
Pockets
20 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 713 | 0.74 | 0.79 | 76 | empty |
| 2 | 489 | 0.61 | 0.75 | 44 | empty |
| 3 | 405 | 0.59 | 0.76 | 42 | empty |
| 4 | 98 | 0.53 | 0.84 | 15 | empty |
| 5 | 249 | 0.50 | 0.75 | 36 | empty |
Interfaces
17 interfaces between chains.
- E–F · 1013 Ų buried · 21 hydrogen bonds · protein-protein
- M–N · 985 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 980 Ų buried · 21 hydrogen bonds · protein-protein
- K–L · 976 Ų buried · 21 hydrogen bonds · protein-protein
- G–H · 970 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 35 disulfide (disulfide).
Compared structures
- 7JOS · Crystal structure of BbKI complexed with Human Kallikrein 4 · the same entry in another collection · 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 A0A0C4DFQ5
- Every structure of UniProt Q6VEQ7
- Elsewhere: RCSB PDB 7JOS · PDBe 7JOS · UniProt A0A0C4DFQ5 · UniProt Q6VEQ7
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