MolNFT v1 · #80759 · protein + DNA
Mutm set 1 apg
3U6O · Formamidopyrimidine-DNA glycosylase: “Mutm set 1 apg”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.67). MolNFT v1 #80759 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3U6O
- Type
- protein + DNA
- Length
- 276 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Formamidopyrimidine-DNA glycosylase; DNA (5'-D(*A*GP*GP*TP*AP*GP*AP*TP*CP*CP*TP*GP*AP*CP*G…
- EC
- 3.2.2.23
- UniProt
- P84131
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 3 distinct chains · 31% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Formamidopyrimidine-DNA glycosylase (EC 3.2.2.23) | protein | 252 | 31% helix, 26% strand | P84131 |
| B | DNA (5'-D(*A*GP*GP*TP*AP*GP*AP*TP*CP*CP*TP*GP*AP*CP*GP*C)- 3') | dna | 13 | — | — |
| C | DNA (5'-D(*TP*GP*CP*GP*TP*CP*AP*GP*GP*AP*(08Q) P*CP*TP*AP*CP*C)-3') | dna | 11 | — | — |
Ligands and binding sites
- ZN · Zinc ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 497 | 0.67 | 0.78 | 39 | empty |
| 2 | 134 | 0.47 | 0.79 | 23 | empty |
| 3 | 121 | 0.37 | 0.74 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–C · 695 Ų buried · 9 hydrogen bonds · protein-nucleic
- B–C · 514 Ų buried · 40 hydrogen bonds · nucleic-nucleic
- A–B · 427 Ų buried · 10 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 1 modified (nucleotide modification).
Compared structures
- 3U6O · MutM set 1 ApG · the same entry in another collection · chain A against A, 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 P84131
- Elsewhere: RCSB PDB 3U6O · PDBe 3U6O · UniProt P84131
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