Research workbench
RB69 DNA polymerase triple mutant (L561A/S565G/Y567A) ternary complex with dupnpp and a deoxy-terminated primer in the presence of MN2+
Analyse RB69 DNA polymerase triple mutant (L561A/S565G/Y567A) ternary complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3SJJ
- Type
- protein + DNA
- Length
- 932 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA polymerase; 5'-D(*TP*CP*AP*AP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G) -3'…
- EC
- 2.7.7.7
- UniProt
- Q38087
- Ligands
- DUP, MN
- Pockets
- 13 · best druggability 0.83
Structure
x-ray diffraction · 3 distinct chains · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA polymerase (EC 2.7.7.7) | protein | 901 | 43% helix, 17% strand | Q38087 |
| T | 5'-D(*TP*CP*AP*AP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G) -3' | dna | 18 | — | — |
| P | 5'-D(*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*C)-3' | dna | 13 | — | — |
Ligands and binding sites
- DUP · 2'-deoxyuridine 5'-alpha,beta-imido-triphosphate · ligand · chains A, T, P
- MN · Manganese (II) ion · metal · 7 copies · chains A, P
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 338 | 0.83 | 0.92 | 34 | empty |
| 2 | 925 | 0.79 | 0.81 | 82 | MN |
| 3 | 959 | 0.78 | 0.80 | 81 | DUP, MN |
| 4 | 450 | 0.62 | 0.76 | 48 | empty |
| 5 | 61 | 0.61 | 0.92 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–T · 1269 Ų buried · 17 hydrogen bonds · protein-nucleic
- A–P · 647 Ų buried · 19 hydrogen bonds · protein-nucleic
- T–P · 595 Ų buried · 50 hydrogen bonds · nucleic-nucleic
Compared structures
- 3SJJ · RB69 DNA Polymerase Triple Mutant (L561A/S565G/Y567A) Ternary Complex with dUpNpp and a… · 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 3SJJ · PDBe 3SJJ · UniProt Q38087
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