MolNFT v1 · #105259 · protein + DNA
Mouse tdt, F401A mutant, in complex with a dsb substrate, C-G base pair
4QZE · DNA nucleotidylexotransferase: “Mouse tdt, F401A mutant, in complex with a dsb substrate, C-G base pair”. X-ray diffraction, 3 ligands (DCT, MG, NA), 4 pockets (best druggability 0.71). MolNFT v1 #105259 on GenesisL1: 3D structure…
- PDB
- 4QZE
- Type
- protein + DNA
- Length
- 353 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA nucleotidylexotransferase; 5'-D(*AP*AP*AP*AP*AP*C)-3'…
- EC
- 2.7.7.31
- UniProt
- P09838
- Ligands
- DCT, MG, NA
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 53% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA nucleotidylexotransferase (EC 2.7.7.31) | protein | 335 | 53% helix, 15% strand | P09838 |
| D | 5'-D(*AP*AP*AP*AP*AP*C)-3' | dna | 5 | — | — |
| T | 5'-D(*TP*TP*TP*TP*TP*GP*GP*G)-3' | dna | 7 | — | — |
| U | 5'-D(*AP*AP*AP*AP*AP*C)-3' | dna | 6 | — | — |
Ligands and binding sites
- DCT · 2',3'-dideoxycytidine 5'-triphosphate · ligand · chains A, T, U
- MG · Magnesium ion · metal · 2 copies · chains A, U
- NA · Sodium ion · metal · chains A, U
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 919 | 0.71 | 0.76 | 64 | MG, DCT |
| 2 | 71 | 0.52 | 0.86 | 14 | empty |
| 3 | 119 | 0.38 | 0.74 | 23 | empty |
| 4 | 62 | 0.29 | 0.75 | 16 | empty |
Interfaces
5 interfaces between chains.
- A–T · 439 Ų buried · 10 hydrogen bonds · protein-nucleic
- A–U · 410 Ų buried · 11 hydrogen bonds · protein-nucleic
- A–D · 394 Ų buried · 10 hydrogen bonds · protein-nucleic
- D–T · 209 Ų buried · 15 hydrogen bonds · nucleic-nucleic
- T–U · 33 Ų buried · 0 hydrogen bonds · nucleic-nucleic
Compared structures
- 4QZE · Mouse Tdt, F401A mutant, in complex with a DSB substrate, C-G base pair · the same entry in another collection · chain A against A, TM-score 1.00
- P09838 · AlphaFold monomer V2.0 prediction for DNA nucleotidylexotransferase (P09838) · 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 P09838
- Elsewhere: RCSB PDB 4QZE · PDBe 4QZE · UniProt P09838
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