MolNFT v2 · #10859 · protein + DNA
3D Solution NMR Structure of the M9I Mutant of the HMG-Box Domain of the Human Male Sex Determining Factor SRY Complexed to DNA
1J47 · 5'-D(*CP*CP*TP*GP*CP*AP*CP*AP*AP*AP*CP*AP*CP*C)-3': “3D Solution NMR Structure of the M9I Mutant of the HMG-Box Domain of the Human Male Sex Determining Factor…”. Solution nmr at NOT, 1 pocket (best druggability 0.56). MolNFT v2…
- PDB
- 1J47
- Type
- protein + DNA
- Length
- 113 residues
- Chains
- 3
- Method
- solution nmr
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- NOT
- Source
- Homo sapiens; SYNTHETIC CONSTRUCT
- Molecule
- 5'-D(*CP*CP*TP*GP*CP*AP*CP*AP*AP*AP*CP*AP*CP*C)-3'…
- UniProt
- Q05066
- Pockets
- 1 · best druggability 0.56
Structure
solution nmr · resolution NOT · 3 distinct chains · 58% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | 5'-D(*CP*CP*TP*GP*CP*AP*CP*AP*AP*AP*CP*AP*CP*C)-3' | dna | 14 | — | — |
| C | 5'-D(*GP*GP*TP*GP*TP*TP*TP*GP*TP*GP*CP*AP*GP*G)-3' | dna | 14 | — | — |
| A | Sex-determining region Y protein | protein | 85 | 58% helix, 0% strand | Q05066 |
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 153 | 0.56 | 0.82 | 23 | empty |
Interfaces
3 interfaces between chains.
- C–A · 846 Ų buried · 15 hydrogen bonds · protein-nucleic
- B–A · 835 Ų buried · 13 hydrogen bonds · protein-nucleic
- B–C · 677 Ų buried · 44 hydrogen bonds · nucleic-nucleic
Compared structures
- 1J47 · 3D solution NMR structure of the M9I mutant of the hmg-box domain of the human male sex… · the same entry in another collection · chain A against A, TM-score 1.00
- Q05066 · AlphaFold monomer V2.0 prediction for sex-determining region Y protein (Q05066) · a predicted model of the same protein · chain A against A, TM-score 0.82
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 Q05066
- Elsewhere: RCSB PDB 1J47 · PDBe 1J47 · UniProt Q05066
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