MolNFT v1 · #178889 · protein
Crystal structure of bbki complexed with human kallikrein 4
7JOW · Kallikrein 4 (prostase, enamel matrix, prostate), isoform…: “Crystal structure of bbki complexed with human kallikrein 4”. X-ray diffraction, 3 ligands (URE, CD, CL), 3 pockets (best druggability 0.51). MolNFT v1 #178889 on…
- PDB
- 7JOW
- Type
- protein
- Length
- 387 residues
- Chains
- 2
- 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
- Ligands
- URE, CD, CL
- Pockets
- 3 · best druggability 0.51
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Kallikrein 4 (prostase, enamel matrix, prostate), isoform CRA_A | protein | 223 | 12% helix, 36% strand | A0A0C4DFQ5 |
| I | Kunitz-type inihibitor | protein | 164 | 0% helix, 48% strand | Q6VEQ7 |
Ligands and binding sites
- URE · Urea · ligand · chains E, I
- CD · Cadmium ion · metal · chains E
- CL · Chloride ion · ion · chains I
- 2PE · Nonaethylene glycol · additive · chains E, I
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 85 | 0.51 | 0.83 | 19 | URE |
| 2 | 196 | 0.48 | 0.75 | 36 | empty |
| 3 | 109 | 0.45 | 0.79 | 20 | empty |
Interfaces
1 interface between chains.
- E–I · 1072 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 7JOW · Crystal structure of BbKI complexed with Human Kallikrein 4 · the same entry in another collection · chain E against E, 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 7JOW · PDBe 7JOW · UniProt A0A0C4DFQ5 · UniProt Q6VEQ7
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