Research workbench
Duplex interrogation by a direct DNA repair protein in the search of damage
Analyse Duplex interrogation by a direct DNA repair protein in the search of damage in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3RZM
- Type
- protein + DNA
- Length
- 226 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-ketoglutarate-dependent dioxygenase alkb homolog 2…
- EC
- 1.14.11.-
- UniProt
- Q6NS38
- Ligands
- XL3
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 3 distinct chains · 16% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-ketoglutarate-dependent dioxygenase alkb homolog 2 (EC 1.14.11.-) | protein | 200 | 16% helix, 42% strand | Q6NS38 |
| B | 5'-D(*AP*TP*GP*TP*AP*TP*AP*AP*CP*TP*GP*CP*G)-3' | dna | 13 | — | — |
| C | 5'-D(*TP*CP*GP*CP*AP*GP*TP*TP*AP*TP*AP*CP*A)-3' | dna | 13 | — | — |
Ligands and binding sites
- XL3 · propane-1-thiol · ligand · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 534 | 0.70 | 0.80 | 37 | XL3 |
| 2 | 380 | 0.68 | 0.82 | 23 | empty |
| 3 | 61 | 0.67 | 0.95 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–B · 701 Ų buried · 14 hydrogen bonds · protein-nucleic
- B–C · 532 Ų buried · 50 hydrogen bonds · nucleic-nucleic
- A–C · 515 Ų buried · 8 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 3RZM · Duplex Interrogation by a Direct DNA Repair Protein in the Search of Damage · the same entry in another collection · chain A against A, TM-score 1.00
- Q6NS38 · AlphaFold monomer V2.0 prediction for DNA oxidative demethylase ALKBH2 (Q6NS38) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 Q6NS38
- Elsewhere: RCSB PDB 3RZM · PDBe 3RZM · UniProt Q6NS38
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