Research workbench
Crystal structure of the R64F mutant of bauhinia bauhinioides kallikrein inhibitor complexed with human kallikrein 4
Analyse Crystal structure of the R64F mutant of bauhinia bauhinioides kallikrein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7JQV
- Type
- protein
- Length
- 389 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
- CL
- Pockets
- 4 · best druggability 0.53
Structure
x-ray diffraction · 2 distinct chains · 7% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Kallikrein 4 (prostase, enamel matrix, prostate), isoform CRA_A | protein | 223 | 12% helix, 35% strand | A0A0C4DFQ5 |
| I | Kunitz-type inihibitor | protein | 166 | 2% helix, 45% strand | Q6VEQ7 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains I
- 2PE · Nonaethylene glycol · additive · 3 copies · chains E, I
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 157 | 0.53 | 0.80 | 33 | empty |
| 2 | 96 | 0.48 | 0.81 | 21 | empty |
| 3 | 139 | 0.43 | 0.75 | 21 | empty |
| 4 | 59 | 0.28 | 0.73 | 11 | empty |
Interfaces
1 interface between chains.
- E–I · 924 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide (disulfide).
Compared structures
- 7JQV · Crystal structure of the R64F mutant of Bauhinia Bauhinioides Kallikrein Inhibitor… · 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 7JQV · PDBe 7JQV · UniProt A0A0C4DFQ5 · UniProt Q6VEQ7
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.