MolNFT v1 · #126169 · protein
Crystal structure of human DNA-dependent protein kinase catalytic subunit (DNA-pkcs)
5LUQ · DNA-dependent protein kinase catalytic SUBUNIT,DNA…: “Crystal structure of human DNA-dependent protein kinase catalytic subunit (DNA-pkcs)”. X-ray diffraction, 20 pockets (best druggability 0.87). MolNFT v1 #126169 on GenesisL1: 3D…
- PDB
- 5LUQ
- Type
- protein
- Length
- 7,558 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA-dependent protein kinase catalytic SUBUNIT,DNA- dependent protein kinase catalytic…
- EC
- 2.7.11.1
- UniProt
- P78527
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 63% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | DNA-dependent protein kinase catalytic SUBUNIT,DNA- dependent protein kinase catalytic SUBUNIT,DNA-dependent protein kinase catalytic subunit (EC 2.7.11.1) | protein | 3725 | 64% helix, 1% strand | P78527 |
| K, S | C-terminal fragment of KU80 (KU80CT194) | protein | 54 | 52% helix, 0% strand | — |
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 | 1082 | 0.87 | 0.88 | 150 | empty |
| 2 | 1150 | 0.86 | 0.87 | 141 | empty |
| 3 | 779 | 0.85 | 0.88 | 103 | empty |
| 4 | 477 | 0.84 | 0.90 | 65 | empty |
| 5 | 1159 | 0.83 | 0.84 | 120 | empty |
Interfaces
3 interfaces between chains.
- B–S · 1417 Ų buried · 8 hydrogen bonds · protein-protein
- A–K · 1247 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 339 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 222 modified (engineered).
Compared structures
- 5LUQ · Crystal Structure of Human DNA-dependent Protein Kinase Catalytic Subunit (DNA-PKcs) · the same entry in another collection · chain K against K, 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 P78527
- Elsewhere: RCSB PDB 5LUQ · PDBe 5LUQ · UniProt P78527
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