MolNFT v1 · #77314 · protein + DNA
DPO4 extension ternary complex with 3'-terminal primer G base opposite the 3-methylcytosine (M3C) lesion
3RB4 · DNA polymerase IV: “DPO4 extension ternary complex with 3'-terminal primer G base opposite the 3-methylcytosine (M3C) lesion”. X-ray diffraction, 2 ligands (DGT, CA), 8 pockets (best druggability 0.81). MolNFT v1 #77314 on…
- PDB
- 3RB4
- Type
- protein + DNA
- Length
- 736 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA polymerase IV; DNA (5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(DDG))-3'); DNA…
- EC
- 2.7.7.7
- UniProt
- Q97W02
- Ligands
- DGT, CA
- Pockets
- 8 · best druggability 0.81
Structure
x-ray diffraction · 5 distinct chains · 45% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | DNA polymerase IV (EC 2.7.7.7) | protein | 341 | 45% helix, 25% strand | Q97W02 |
| D | DNA (5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(DDG))-3') | dna | 13 | — | — |
| E | DNA (5'-D(*C*CP*TP*AP*AP*CP*(ME6) P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3') | dna | 19 | — | — |
| H | DNA (5'-D(*GP*TP*TP*GP*GP*AP*TP*GP*GP*TP*AP*GP*(DDG))-3') | dna | 10 | — | — |
| J | DNA (5'-D(*C*CP*TP*AP*AP*CP*(ME6) P*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3') | dna | 12 | — | — |
Ligands and binding sites
- DGT · 2'-deoxyguanosine-5'-triphosphate · ligand · 2 copies · chains A, D, E, B, H, J
- CA · Calcium ion · metal · 6 copies · chains A, D, B, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1116 | 0.81 | 0.82 | 79 | DGT, CA |
| 2 | 813 | 0.79 | 0.83 | 53 | empty |
| 3 | 585 | 0.73 | 0.81 | 36 | empty |
| 4 | 638 | 0.73 | 0.80 | 41 | empty |
| 5 | 268 | 0.64 | 0.82 | 32 | DGT, CA |
Interfaces
7 interfaces between chains.
- A–E · 1097 Ų buried · 26 hydrogen bonds · protein-nucleic
- B–J · 885 Ų buried · 18 hydrogen bonds · protein-nucleic
- A–D · 659 Ų buried · 17 hydrogen bonds · protein-nucleic
- D–E · 597 Ų buried · 51 hydrogen bonds · nucleic-nucleic
- B–H · 592 Ų buried · 15 hydrogen bonds · protein-nucleic
Modifications
Observed in the structure: 4 modified (nucleotide modification).
Compared structures
- 3RB4 · Dpo4 extension ternary complex with 3'-terminal primer G base opposite the… · the same entry in another collection · chain J against J, 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 3RB4 · PDBe 3RB4 · UniProt Q97W02
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