Research workbench
The co-factor-induced pre-active conformation in phob
Analyse The co-factor-induced pre-active conformation in phob in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2IYN
- Type
- protein
- Length
- 342 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphate regulon transcriptional regulatory protein phob
- UniProt
- P0AFJ5
- Ligands
- MG
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 3 distinct chains · 37% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphate regulon transcriptional regulatory protein phob | protein | 110 | 35% helix, 27% strand | P0AFJ5 |
| B | Phosphate regulon transcriptional regulatory protein phob | protein | 124 | 39% helix, 21% strand | P0AFJ5 |
| C | Phosphate regulon transcriptional regulatory protein phob | protein | 108 | 36% helix, 22% strand | P0AFJ5 |
Ligands and binding sites
- MG · Magnesium ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 166 | 0.61 | 0.83 | 25 | empty |
| 2 | 313 | 0.58 | 0.77 | 29 | empty |
| 3 | 116 | 0.46 | 0.79 | 19 | empty |
Interfaces
2 interfaces between chains.
- A–B · 593 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 422 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 2IYN · The co-factor-induced pre-active conformation in PhoB · the same entry in another collection · chain A against A, TM-score 1.00
- P0AFJ5 · AlphaFold monomer V2.0 prediction for phosphate regulon transcriptional regulatory… · a predicted model of the same protein · chain C 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 P0AFJ5
- Elsewhere: RCSB PDB 2IYN · PDBe 2IYN · UniProt P0AFJ5
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