MolNFT v1 · #59578 · protein
Structure of a bacterial DNA damage sensor protein with non-reactive ligand
3C23 · DNA integrity scanning protein disa: “Structure of a bacterial DNA damage sensor protein with non-reactive ligand”. X-ray diffraction, 1 ligand (3AT), 7 pockets (best druggability 0.74). MolNFT v1 #59578 on GenesisL1: 3D structure…
- PDB
- 3C23
- Type
- protein
- Length
- 698 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA integrity scanning protein disa
- UniProt
- Q9WY43
- Ligands
- 3AT
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | DNA integrity scanning protein disa | protein | 349 | 58% helix, 12% strand | Q9WY43 |
Ligands and binding sites
- 3AT · 3'-deoxyadenosine-5'-triphosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 757 | 0.74 | 0.79 | 57 | empty |
| 2 | 733 | 0.71 | 0.78 | 69 | empty |
| 3 | 100 | 0.36 | 0.74 | 16 | empty |
| 4 | 58 | 0.32 | 0.76 | 11 | empty |
| 5 | 73 | 0.30 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1450 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 3C23 · Structure of a bacterial DNA damage sensor protein with non-reactive Ligand · the same entry in another collection · chain B against B, TM-score 1.00
- Q9WY43 · AlphaFold monomer V2.0 prediction for DNA integrity scanning protein disa (Q9WY43) · a predicted model of the same protein · chain B against A, TM-score 0.93
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 Q9WY43
- Elsewhere: RCSB PDB 3C23 · PDBe 3C23 · UniProt Q9WY43
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