MolNFT v1 · #89591 · protein + DNA
RB69 DNA polymerase ternary complex with dgtp opposite an abasic site and DDC/DG as the penultimate base-pair
4DTU: “RB69 DNA polymerase ternary complex with dgtp opposite an abasic site and DDC/DG as the penultimate base-pair”. X-ray diffraction, 2 ligands (DGT, CA), 11 pockets (best druggability 0.83). MolNFT v1 #89591 on GenesisL1: 3D…
- PDB
- 4DTU
- Type
- protein + DNA
- Length
- 932 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA polymerase; DNA tempalte; DNA primer
- EC
- 2.7.7.7
- UniProt
- Q38087
- Ligands
- DGT, CA
- Pockets
- 11 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA polymerase (EC 2.7.7.7) | protein | 901 | 44% helix, 19% strand | Q38087 |
| T | DNA tempalte | dna | 18 | — | — |
| P | DNA primer | dna | 13 | — | — |
Ligands and binding sites
- DGT · 2'-deoxyguanosine-5'-triphosphate · ligand · chains A, T, P
- CA · Calcium ion · metal · 6 copies · chains A, P
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 276 | 0.83 | 0.95 | 33 | empty |
| 2 | 275 | 0.74 | 0.87 | 50 | DGT, CA |
| 3 | 280 | 0.73 | 0.86 | 33 | CA |
| 4 | 200 | 0.66 | 0.85 | 26 | empty |
| 5 | 427 | 0.63 | 0.77 | 52 | empty |
Interfaces
3 interfaces between chains.
- A–T · 1316 Ų buried · 24 hydrogen bonds · protein-nucleic
- A–P · 702 Ų buried · 14 hydrogen bonds · protein-nucleic
- T–P · 611 Ų buried · 56 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 2 modified (nucleotide modification).
Compared structures
- 4DTU · RB69 DNA Polymerase Ternary Complex with dGTP Opposite an Abasic Site and ddC/dG as the… · 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 Q38087
- Elsewhere: RCSB PDB 4DTU · PDBe 4DTU · UniProt Q38087
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