Research workbench
Src family kinase hck with bound inhibitor a-770041
Analyse Src family kinase hck with bound inhibitor a-770041 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2C0O
- Type
- protein
- Length
- 868 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase hck
- EC
- 2.7.1.112
- UniProt
- P08631
- Ligands
- L2G, CA
- Pockets
- 11 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Tyrosine-protein kinase hck (EC 2.7.1.112) | protein | 434 | 31% helix, 24% strand | P08631 |
Ligands and binding sites
- L2G · N-(4-{1-[4-(4-acetylpiperazin-1-yl)-trans-cyclohexyl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methoxyphenyl)-1-methyl-1H-indole-2-carboxamide · 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
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 810 | 0.77 | 0.81 | 79 | empty |
| 2 | 376 | 0.77 | 0.86 | 60 | L2G |
| 3 | 560 | 0.75 | 0.82 | 57 | L2G |
| 4 | 594 | 0.74 | 0.81 | 82 | empty |
| 5 | 513 | 0.66 | 0.77 | 63 | empty |
Interfaces
1 interface between chains.
- A–B · 1026 Ų buried · 18 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 2C0O · PDBe 2C0O · UniProt P08631
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