MolNFT v1 · #30017 · protein + DNA
DNA polymerase beta (E.C.2.7.7.7)/DNA complex, soaked in the presence of NICL2
1ZQR · DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'): “DNA polymerase beta (E.C.2.7.7.7)/DNA complex, soaked in the presence of NICL2”. X-ray diffraction, 2 ligands (NI, NA), 5 pockets (best druggability 0.65). MolNFT v1 #30017 on GenesisL1: 3D…
- PDB
- 1ZQR
- Type
- protein + DNA
- Length
- 341 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'); DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'); Protein (DNA…
- UniProt
- P06746
- Ligands
- NI, NA
- Pockets
- 5 · best druggability 0.65
Structure
x-ray diffraction · 3 distinct chains · 49% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| T | DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3') | dna | 7 | — | — |
| P | DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3') | dna | 7 | — | — |
| A | Protein (DNA polymerase beta (E.C.2.7.7.7)) | protein | 327 | 49% helix, 13% strand | P06746 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 297 | 0.65 | 0.81 | 26 | empty |
| 2 | 222 | 0.62 | 0.82 | 27 | empty |
| 3 | 193 | 0.45 | 0.74 | 32 | empty |
| 4 | 74 | 0.29 | 0.73 | 15 | empty |
| 5 | 51 | 0.25 | 0.73 | 13 | empty |
Interfaces
3 interfaces between chains.
- P–A · 352 Ų buried · 14 hydrogen bonds · protein-nucleic
- T–P · 311 Ų buried · 32 hydrogen bonds · nucleic-nucleic
- T–A · 294 Ų buried · 5 hydrogen bonds · protein-nucleic
Compared structures
- 1ZQR · DNA polymerase beta (E.C.2.7.7.7)/DNA complex, soaked in the presence of NICL2 · the same entry in another collection · chain T against T, TM-score 1.00
- P06746 · AlphaFold monomer V2.0 prediction for DNA polymerase beta (P06746) · a predicted model of the same protein · chain A against A, TM-score 0.79
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 P06746
- Elsewhere: RCSB PDB 1ZQR · PDBe 1ZQR · UniProt P06746
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