MolNFT v1 · #91663 · protein + DNA
RB69 DNA polymerase ternary complex with DTTP/DG
4FK2: “RB69 DNA polymerase ternary complex with DTTP/DG”. X-ray diffraction, 2 ligands (TTP, CA), 10 pockets (best druggability 0.83). MolNFT v1 #91663 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4FK2
- Type
- protein + DNA
- Length
- 931 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA polymerase; DNA template; DNA primer
- EC
- 2.7.7.7
- UniProt
- Q38087
- Ligands
- TTP, CA
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 45% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA polymerase (EC 2.7.7.7) | protein | 901 | 45% helix, 19% strand | Q38087 |
| T | DNA template | dna | 17 | — | — |
| P | DNA primer | dna | 13 | — | — |
Ligands and binding sites
- TTP · Thymidine-5'-triphosphate · ligand · chains A, T, P
- CA · Calcium ion · metal · 5 copies · chains A, P
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 266 | 0.83 | 0.95 | 33 | empty |
| 2 | 495 | 0.76 | 0.84 | 59 | CA |
| 3 | 377 | 0.73 | 0.84 | 42 | TTP, CA |
| 4 | 378 | 0.63 | 0.78 | 40 | empty |
| 5 | 159 | 0.60 | 0.83 | 22 | empty |
Interfaces
3 interfaces between chains.
- A–T · 1240 Ų buried · 23 hydrogen bonds · protein-nucleic
- A–P · 646 Ų buried · 17 hydrogen bonds · protein-nucleic
- T–P · 591 Ų buried · 61 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 1 modified (nucleotide modification).
Compared structures
- 4FK2 · RB69 DNA polymerase ternary complex with dTTP/dG · 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 4FK2 · PDBe 4FK2 · UniProt Q38087
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.