Research workbench
DNA-pkcs in complex with M3814
Analyse DNA-pkcs in complex with M3814 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7OTY
- Type
- protein
- Length
- 3,656 residues
- Chains
- 1
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA-dependent protein kinase catalytic SUBUNIT,DNA-pkcs
- EC
- 2.7.11.1
- UniProt
- P78527
- Ligands
- 1IX
- Pockets
- 20 · best druggability 0.83
Structure
electron microscopy · 1 distinct chain · 61% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA-dependent protein kinase catalytic SUBUNIT,DNA-pkcs (EC 2.7.11.1) | protein | 3656 | 61% helix, 2% strand | P78527 |
Ligands and binding sites
- 1IX · (~{S})-[2-chloranyl-4-fluoranyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl) methanol · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 885 | 0.83 | 0.85 | 85 | empty |
| 2 | 610 | 0.83 | 0.88 | 81 | empty |
| 3 | 507 | 0.79 | 0.86 | 59 | empty |
| 4 | 862 | 0.78 | 0.81 | 97 | empty |
| 5 | 100 | 0.78 | 0.98 | 26 | empty |
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 P78527
- Elsewhere: RCSB PDB 7OTY · PDBe 7OTY · UniProt P78527
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