MolNFT v1 · #11255 · protein + DNA
Purine repressor mutant-hypoxanthine-purf operator complex
1JH9 · 5'-D(*AP*AP*CP*GP*AP*AP*AP*AP*CP*GP*TP*TP*TP*TP*CP*GP*T)- 3': “Purine repressor mutant-hypoxanthine-purf operator complex”. X-ray diffraction, 2 ligands (HPA, PO4), 3 pockets (best druggability 0.56). MolNFT v1 #11255 on GenesisL1…
- PDB
- 1JH9
- Type
- protein + DNA
- Length
- 356 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 5'-D(*AP*AP*CP*GP*AP*AP*AP*AP*CP*GP*TP*TP*TP*TP*CP*GP*T)- 3'; Purine nucleotide synthesis…
- UniProt
- P0ACP7
- Ligands
- HPA, PO4
- Pockets
- 3 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | 5'-D(*AP*AP*CP*GP*AP*AP*AP*AP*CP*GP*TP*TP*TP*TP*CP*GP*T)- 3' | dna | 17 | — | — |
| A | Purine nucleotide synthesis repressor | protein | 339 | 45% helix, 13% strand | P0ACP7 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 95 | 0.56 | 0.85 | 28 | HPA |
| 2 | 211 | 0.44 | 0.73 | 24 | empty |
| 3 | 157 | 0.39 | 0.73 | 29 | empty |
Interfaces
1 interface between chains.
- B–A · 511 Ų buried · 12 hydrogen bonds · protein-nucleic
Compared structures
- 1JH9 · Purine repressor mutant-hypoxanthine-purf operator complex · the same entry in another collection · chain B against B, TM-score 1.00
- P0ACP7 · AlphaFold monomer V2.0 prediction for hth-type transcriptional repressor purr (P0ACP7) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P0ACP7
- Elsewhere: RCSB PDB 1JH9 · PDBe 1JH9 · UniProt P0ACP7
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