MolNFT v1 · #90007 · protein + DNA
Unphosphorylated STAT3B core protein binding to dsdna
4E68 · DNA (5'- D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*…: “Unphosphorylated STAT3B core protein binding to dsdna”. X-ray diffraction, 6 pockets (best druggability 0.58). MolNFT v1 #90007 on GenesisL1: 3D structure, binding…
- PDB
- 4E68
- Type
- protein + DNA
- Length
- 577 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA (5'- D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*CP*T)-3'); Signal transducer…
- UniProt
- P42227
- Pockets
- 6 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | DNA (5'- D(*TP*GP*CP*AP*TP*TP*TP*CP*CP*CP*GP*TP*AP*AP*AP*TP*CP*T)-3') | dna | 18 | — | — |
| A | Signal transducer and activator of transcription 3 | protein | 559 | 43% helix, 16% strand | P42227 |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 350 | 0.58 | 0.76 | 37 | empty |
| 2 | 262 | 0.58 | 0.79 | 39 | empty |
| 3 | 143 | 0.49 | 0.78 | 23 | empty |
| 4 | 130 | 0.40 | 0.75 | 25 | empty |
| 5 | 72 | 0.39 | 0.78 | 16 | empty |
Interfaces
1 interface between chains.
- B–A · 308 Ų buried · 6 hydrogen bonds · protein-nucleic
Compared structures
- 4E68 · Unphosphorylated STAT3B core protein binding to dsDNA · the same entry in another collection · chain B against B, TM-score 1.00
- P42227 · AlphaFold monomer V2.0 prediction for signal transducer and activator of transcription 3… · 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 P42227
- Elsewhere: RCSB PDB 4E68 · PDBe 4E68 · UniProt P42227
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