MolNFT v1 · #105159 · protein + DNA
Crystal structure of DPO4 linker region P236A mutant with an incoming D-dcdp
4QWB · DNA polymerase IV: “Crystal structure of DPO4 linker region P236A mutant with an incoming D-dcdp”. X-ray diffraction, 2 ligands (YYY, CA), 3 pockets (best druggability 0.79). MolNFT v1 #105159 on GenesisL1: 3D structure, binding…
- PDB
- 4QWB
- Type
- protein + DNA
- Length
- 371 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA polymerase IV; DNA (5'-D(*GP*GP*CP*TP*AP*CP*AP*GP*GP*AP*CP*TP*(DOC))-3'); DNA (5'…
- EC
- 2.7.7.7
- UniProt
- Q97W02
- Ligands
- YYY, CA
- Pockets
- 3 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 44% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA polymerase IV (EC 2.7.7.7) | protein | 343 | 44% helix, 24% strand | Q97W02 |
| B | DNA (5'-D(*GP*GP*CP*TP*AP*CP*AP*GP*GP*AP*CP*TP*(DOC))-3') | dna | 13 | — | — |
| C | DNA (5'- D(*TP*TP*CP*AP*GP*GP*AP*GP*TP*CP*CP*TP*GP*TP*AP*GP*CP*C)-3') | dna | 15 | — | — |
Ligands and binding sites
- YYY · Deoxycytidine diphosphate · ligand · chains A, B, C
- CA · Calcium ion · metal · 4 copies · chains A, B
- ACT · Acetate ion · additive · 4 copies · chains A, C
- GOL · Glycerol · additive · 3 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1168 | 0.79 | 0.81 | 83 | YYY, CA, ACT, GOL |
| 2 | 717 | 0.74 | 0.80 | 40 | GOL |
| 3 | 68 | 0.31 | 0.74 | 17 | empty |
Interfaces
3 interfaces between chains.
- A–C · 961 Ų buried · 18 hydrogen bonds · protein-nucleic
- A–B · 597 Ų buried · 16 hydrogen bonds · protein-nucleic
- B–C · 586 Ų buried · 50 hydrogen bonds · nucleic-nucleic
Modifications
Observed in the structure: 1 modified (nucleotide modification).
Compared structures
- 4QWB · CRYSTAL STRUCTURE of DPO4 LINKER REGION P236A MUTANT WITH AN INCOMING D-dCDP · the same entry in another collection · chain A against A, TM-score 1.00
- Q97W02 · AlphaFold monomer V2.0 prediction for DNA polymerase IV (Q97W02) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q97W02
- Elsewhere: RCSB PDB 4QWB · PDBe 4QWB · UniProt Q97W02
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