Research workbench
DNA polymerase mu, 8-OXORGTP:CT ground state ternary complex, 50 mm MN2+ (15 min)
Analyse DNA polymerase mu, 8-OXORGTP:CT ground state ternary complex, 50 mm MN2+ (15… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6VFA
- Type
- protein + DNA
- Length
- 344 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA-directed DNA/RNA polymerase mu; DNA (5'-D(*CP*GP*GP*CP*CP*TP*AP*CP*G)-3'); DNA…
- EC
- 2.7.7.7
- UniProt
- Q9NP87
- Ligands
- 8GT, MN, NA
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 4 distinct chains · 52% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA-directed DNA/RNA polymerase mu (EC 2.7.7.7) | protein | 327 | 52% helix, 14% strand | Q9NP87 |
| T | DNA (5'-D(*CP*GP*GP*CP*CP*TP*AP*CP*G)-3') | dna | 9 | — | — |
| P | DNA (5'-D(*CP*GP*TP*A)-3') | dna | 4 | — | — |
| D | DNA (5'-D(P*GP*CP*CP*G)-3') | dna | 4 | — | — |
Ligands and binding sites
- 8GT · 8-oxo-guanosine-5'-triphosphate · ligand · chains A, P
- MN · Manganese (II) ion · metal · 8 copies · chains A, D, T
- NA · Sodium ion · metal · chains A, P
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, T
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
- DTT · 2,3-dihydroxy-1,4-dithiobutane · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1113 | 0.76 | 0.79 | 68 | MN, 8GT, EDO, DTT |
| 2 | 107 | 0.49 | 0.81 | 16 | empty |
Interfaces
5 interfaces between chains.
- A–T · 670 Ų buried · 14 hydrogen bonds · protein-nucleic
- A–P · 361 Ų buried · 14 hydrogen bonds · protein-nucleic
- A–D · 351 Ų buried · 14 hydrogen bonds · protein-nucleic
- T–P · 210 Ų buried · 14 hydrogen bonds · nucleic-nucleic
- T–D · 196 Ų buried · 18 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 6VFA · DNA Polymerase Mu, 8-oxorGTP:Ct Ground State Ternary Complex, 50 mM Mn2+ (15 min) · the same entry in another collection · chain A against A, TM-score 1.00
- Q9NP87 · AlphaFold monomer V2.0 prediction for DNA-directed DNA/RNA polymerase mu (Q9NP87) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9NP87
- Elsewhere: RCSB PDB 6VFA · PDBe 6VFA · UniProt Q9NP87
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