Research workbench
RB69 DNA polymerase ternary complex with dttp opposite 2AP (gc rich sequence)
Analyse RB69 DNA polymerase ternary complex with dttp opposite 2AP (gc rich sequence) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3SQ4
- Type
- protein + DNA
- Length
- 931 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA polymerase; 5'-D(P*CP*(2PR)P*TP*CP*GP*CP*CP*GP*CP*CP*GP*CP*GP*CP*GP*G)- 3'…
- EC
- 2.7.7.7
- UniProt
- Q38087
- Ligands
- TTP, CA
- Pockets
- 14 · best druggability 0.79
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 | 902 | 44% helix, 19% strand | Q38087 |
| T | 5'-D(P*CP*(2PR)P*TP*CP*GP*CP*CP*GP*CP*CP*GP*CP*GP*CP*GP*G)- 3' | dna | 16 | — | — |
| P | 5'-D(*CP*GP*CP*GP*CP*GP*GP*CP*GP*GP*CP*GP*(2DA))-3' | 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
14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 526 | 0.79 | 0.86 | 49 | empty |
| 2 | 693 | 0.76 | 0.81 | 62 | CA |
| 3 | 615 | 0.76 | 0.82 | 58 | TTP, CA |
| 4 | 218 | 0.59 | 0.80 | 30 | empty |
| 5 | 112 | 0.58 | 0.85 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–T · 1055 Ų buried · 15 hydrogen bonds · protein-nucleic
- A–P · 658 Ų buried · 11 hydrogen bonds · protein-nucleic
- T–P · 603 Ų buried · 55 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 2 modified (nucleotide modification).
Compared structures
- 3SQ4 · RB69 DNA Polymerase Ternary Complex with dTTP Opposite 2AP (GC rich sequence) · 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 3SQ4 · PDBe 3SQ4 · UniProt Q38087
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