Research workbench
Structural basis for processivity and antiviral drug toxicity in human mitochondrial DNA replicase
Analyse Structural basis for processivity and antiviral drug toxicity in human… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ZTZ
- Type
- protein + DNA
- Length
- 1,751 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA polymerase subunit gamma-1; DNA polymerase subunit gamma-2, mitochondrial; DNA…
- EC
- 2.7.7.7
- UniProt
- P54098, Q9UHN1
- Ligands
- DCP, MG
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 5 distinct chains · 34% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA polymerase subunit gamma-1 (EC 2.7.7.7) | protein | 983 | 35% helix, 8% strand | P54098 |
| B | DNA polymerase subunit gamma-2, mitochondrial | protein | 363 | 35% helix, 27% strand | Q9UHN1 |
| C | DNA polymerase subunit gamma-2, mitochondrial | protein | 358 | 31% helix, 25% strand | Q9UHN1 |
| T | DNA (25-mer) | dna | 25 | — | — |
| P | DNA (5'- D(P*AP*AP*GP*AP*CP*GP*AP*GP*GP*GP*CP*CP*AP*GP*TP*GP*CP*CP*GP*TP*AP*C) -3') | dna | 22 | — | — |
Ligands and binding sites
- DCP · 2'-deoxycytidine-5'-triphosphate · ligand · chains A, T, P
- MG · Magnesium ion · metal · 2 copies · chains A, P
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 943 | 0.87 | 0.88 | 82 | empty |
| 2 | 970 | 0.77 | 0.80 | 91 | MG, DCP |
| 3 | 525 | 0.77 | 0.84 | 53 | empty |
| 4 | 654 | 0.76 | 0.82 | 75 | empty |
| 5 | 262 | 0.76 | 0.89 | 29 | empty |
Interfaces
6 interfaces between chains.
- A–B · 2246 Ų buried · 21 hydrogen bonds · protein-protein
- B–C · 2118 Ų buried · 16 hydrogen bonds · protein-protein
- A–T · 1324 Ų buried · 17 hydrogen bonds · protein-nucleic
- T–P · 1027 Ų buried · 104 hydrogen bonds · nucleic-nucleic
- A–P · 758 Ų buried · 10 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 1 modified (nucleotide modification).
Compared structures
- 4ZTZ · Structural basis for processivity and antiviral drug toxicity in human mitochondrial DNA… · the same entry in another collection · chain P against P, TM-score 1.00
- Q9UHN1 · AlphaFold monomer V2.0 prediction for DNA polymerase subunit gamma-2, mitochondrial… · a predicted model of the same protein · chain C against A, TM-score 0.97
- P54098 · AlphaFold monomer V2.0 prediction for DNA polymerase subunit gamma-1 (P54098) · a predicted model of the same protein · chain A against A, TM-score 0.86
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 P54098
- Every structure of UniProt Q9UHN1
- Elsewhere: RCSB PDB 4ZTZ · PDBe 4ZTZ · UniProt P54098 · UniProt Q9UHN1
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