MolNFT v1 · #63528 · protein
Complex of UNG2 and a fragment-based designed inhibitor
3FCF · Uracil-DNA glycosylase: “Complex of UNG2 and a fragment-based designed inhibitor”. X-ray diffraction, 2 ligands (FCF, SCN), 1 pocket (best druggability 0.47). MolNFT v1 #63528 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3FCF
- Type
- protein
- Length
- 223 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uracil-DNA glycosylase
- EC
- 3.2.2.-
- UniProt
- P13051
- Ligands
- FCF, SCN
- Pockets
- 1 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uracil-DNA glycosylase (EC 3.2.2.-) | protein | 223 | 39% helix, 11% strand | P13051 |
Ligands and binding sites
- FCF · 3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid · ligand · chains A
- SCN · Thiocyanate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 135 | 0.47 | 0.78 | 22 | FCF, SCN |
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 P13051
- Elsewhere: RCSB PDB 3FCF · PDBe 3FCF · UniProt P13051
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