MolNFT v1 · #59576 · protein
Structure of a bacterial DNA damage sensor protein with reaction product
3C21 · DNA integrity scanning protein disa: “Structure of a bacterial DNA damage sensor protein with reaction product”. X-ray diffraction, 1 ligand (2BA), 5 pockets (best druggability 0.78). MolNFT v1 #59576 on GenesisL1: 3D structure…
- PDB
- 3C21
- 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
- 2BA
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 59% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | DNA integrity scanning protein disa | protein | 349 | 59% helix, 13% strand | Q9WY43 |
Ligands and binding sites
- 2BA · (2r,3r,3as,5r,7ar,9r,10r,10as,12r,14ar)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-D:3', 2'-J][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5, 10,12-tetrol 5,12-dioxide · ligand · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 794 | 0.78 | 0.82 | 85 | 2BA |
| 2 | 105 | 0.39 | 0.75 | 22 | empty |
| 3 | 67 | 0.37 | 0.78 | 16 | empty |
| 4 | 84 | 0.35 | 0.75 | 17 | empty |
| 5 | 82 | 0.32 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 455 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3C21 · Structure of a bacterial DNA damage sensor protein with reaction product · the same entry in another collection · chain A against A, 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 A against A, TM-score 0.96
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 3C21 · PDBe 3C21 · UniProt Q9WY43
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