MolNFT v1 · #93916 · protein
Structure of the appa-PPSR2 core complex from rb. sphaeroides
4HH3 · Transcriptional regulator, ppsr: “Structure of the appa-PPSR2 core complex from rb. sphaeroides”. X-ray diffraction, 4 pockets (best druggability 0.76). MolNFT v1 #93916 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4HH3
- Type
- protein
- Length
- 711 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator, ppsr; Appa protein
- UniProt
- Q3J179, Q53119
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 44% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator, ppsr | protein | 251 | 37% helix, 29% strand | Q3J179 |
| B | Transcriptional regulator, ppsr | protein | 243 | 38% helix, 30% strand | Q3J179 |
| C | Appa protein | protein | 217 | 59% helix, 11% strand | Q53119 |
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 750 | 0.76 | 0.81 | 78 | empty |
| 2 | 119 | 0.49 | 0.80 | 22 | empty |
| 3 | 98 | 0.40 | 0.77 | 19 | empty |
| 4 | 75 | 0.36 | 0.77 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–B · 3395 Ų buried · 48 hydrogen bonds · protein-protein
- A–C · 1160 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 761 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4HH3 · Structure of the AppA-PpsR2 core complex 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
- Every structure of UniProt Q53119
- Elsewhere: RCSB PDB 4HH3 · PDBe 4HH3 · UniProt Q3J179 · UniProt Q53119
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