MolNFT v1 · #54198 · protein + DNA
Separation-of-function mutants unravel the dual reaction mode of human 8-oxoguanine DNA glycosylase
2XHI · N-GLYCOSYLASE/DNA lyase: “Separation-of-function mutants unravel the dual reaction mode of human 8-oxoguanine DNA glycosylase”. X-ray diffraction, 1 ligand (CA), 5 pockets (best druggability 0.63). MolNFT v1 #54198 on GenesisL1: 3D…
- PDB
- 2XHI
- Type
- protein + DNA
- Length
- 344 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N-GLYCOSYLASE/DNA lyase; 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
- 5 · best druggability 0.63
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | N-GLYCOSYLASE/DNA lyase (EC 3.2.2.-, 4.2.99.18) | protein | 316 | 49% helix, 12% strand | O15527 |
| B | 5'-D(*GP*GP*TP*AP*GP*AP*CP*CP*TP*GP*GP*AP*CP*GP*C)-3' | dna | 14 | — | — |
| C | 5'-D(*GP*CP*GP*TP*CP*CP*AP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3' | dna | 14 | — | — |
Ligands and binding sites
- CA · Calcium ion · metal · 2 copies · chains A, C
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 | 548 | 0.63 | 0.76 | 59 | CA |
| 2 | 141 | 0.48 | 0.78 | 23 | empty |
| 3 | 65 | 0.43 | 0.82 | 17 | empty |
| 4 | 91 | 0.41 | 0.78 | 20 | empty |
| 5 | 67 | 0.31 | 0.75 | 12 | empty |
Interfaces
3 interfaces between chains.
- A–C · 784 Ų buried · 27 hydrogen bonds · protein-nucleic
- B–C · 593 Ų buried · 47 hydrogen bonds · nucleic-nucleic
- A–B · 429 Ų buried · 13 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 1 modified (nucleotide modification).
Compared structures
- 2XHI · Separation-of-function mutants unravel the dual reaction mode of human 8-oxoguanine DNA… · the same entry in another collection · chain A against A, 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 2XHI · PDBe 2XHI · UniProt O15527
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