MolNFT v1 · #45898 · protein + DNA
Structure of Q315F human 8-oxoguanine glycosylase proximal crosslink to 8-oxoguanine DNA
2NOF · 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3': “Structure of Q315F human 8-oxoguanine glycosylase proximal crosslink to 8-oxoguanine DNA”. X-ray diffraction, 1 ligand (CA), 6 pockets (best druggability 0.61). MolNFT v1…
- PDB
- 2NOF
- Type
- protein + DNA
- Length
- 328 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3'…
- EC
- 3.2.2.-, 4.2.99.18
- UniProt
- O15527
- Ligands
- CA
- Pockets
- 6 · best druggability 0.61
Structure
x-ray diffraction · 3 distinct chains · 48% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3' | dna | 8 | — | — |
| C | 5'-D(*GP*CP*GP*TP*C*CP*AP*(G42)P*GP*TP*CP*TP*AP*CP*C)-3' | dna | 8 | — | — |
| A | N-GLYCOSYLASE/DNA lyase (EC 3.2.2.-, 4.2.99.18) | protein | 312 | 48% helix, 12% strand | O15527 |
Ligands and binding sites
- CA · Calcium ion · metal · chains C, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 124 | 0.61 | 0.86 | 28 | empty |
| 2 | 71 | 0.52 | 0.85 | 17 | empty |
| 3 | 227 | 0.50 | 0.76 | 32 | empty |
| 4 | 149 | 0.48 | 0.77 | 23 | empty |
| 5 | 85 | 0.39 | 0.78 | 15 | empty |
Interfaces
3 interfaces between chains.
- C–A · 694 Ų buried · 15 hydrogen bonds · protein-nucleic
- B–C · 337 Ų buried · 28 hydrogen bonds · nucleic-nucleic
- B–A · 233 Ų buried · 4 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 1 modified (nucleotide modification).
Compared structures
- 2NOF · Structure of Q315F human 8-oxoguanine glycosylase proximal crosslink to 8-oxoguanine DNA · the same entry in another collection · chain B against B, TM-score 1.00
- O15527 · AlphaFold monomer V2.0 prediction for N-GLYCOSYLASE/DNA lyase (O15527) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O15527
- Elsewhere: RCSB PDB 2NOF · PDBe 2NOF · UniProt O15527
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