MolNFT v1 · #38890 · protein
Src family kinase hck-quercetin complex
2HCK · Hematopoetic cell kinase hck: “Src family kinase hck-quercetin complex”. X-ray diffraction, 2 ligands (QUE, CA), 10 pockets (best druggability 0.77). MolNFT v1 #38890 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2HCK
- Type
- protein
- Length
- 876 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hematopoetic cell kinase hck
- EC
- 2.7.1.112
- UniProt
- P08631
- Ligands
- QUE, CA
- Pockets
- 10 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 29% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Hematopoetic cell kinase hck (EC 2.7.1.112) | protein | 438 | 29% helix, 24% strand | P08631 |
Ligands and binding sites
- QUE · 3,5,7,3',4'-pentahydroxyflavone · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 875 | 0.77 | 0.81 | 76 | empty |
| 2 | 499 | 0.74 | 0.82 | 57 | QUE |
| 3 | 500 | 0.72 | 0.81 | 58 | QUE |
| 4 | 971 | 0.71 | 0.75 | 90 | empty |
| 5 | 570 | 0.68 | 0.78 | 64 | empty |
Interfaces
1 interface between chains.
- A–B · 1344 Ų buried · 25 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
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 P08631
- Elsewhere: RCSB PDB 2HCK · PDBe 2HCK · UniProt P08631
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