MolNFT v1 · #93915 · protein
Structure of ppsr without the hth motif from rb. sphaeroides
4HH2 · Transcriptional regulator, ppsr: “Structure of ppsr without the hth motif from rb. sphaeroides”. X-ray diffraction, 20 pockets (best druggability 0.78). MolNFT v1 #93915 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4HH2
- Type
- protein
- Length
- 1,482 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, ppsr
- UniProt
- Q3J179
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 36% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Transcriptional regulator, ppsr | protein | 370 | 35% helix, 32% strand | Q3J179 |
| B | Transcriptional regulator, ppsr | protein | 369 | 37% helix, 31% strand | Q3J179 |
| D | Transcriptional regulator, ppsr | protein | 373 | 35% helix, 32% strand | Q3J179 |
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 611 | 0.78 | 0.84 | 79 | empty |
| 2 | 593 | 0.69 | 0.78 | 67 | empty |
| 3 | 145 | 0.67 | 0.88 | 23 | empty |
| 4 | 464 | 0.65 | 0.78 | 41 | empty |
| 5 | 376 | 0.63 | 0.78 | 41 | empty |
Interfaces
6 interfaces between chains.
- A–B · 5137 Ų buried · 63 hydrogen bonds · protein-protein
- C–D · 5007 Ų buried · 76 hydrogen bonds · protein-protein
- B–C · 1105 Ų buried · 18 hydrogen bonds · protein-protein
- A–D · 1090 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 1086 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4HH2 · Structure of PpsR without the HTH motif from Rb. sphaeroides · the same entry in another collection · chain A against A, TM-score 1.00
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 Q3J179
- Elsewhere: RCSB PDB 4HH2 · PDBe 4HH2 · UniProt Q3J179
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