MolNFT v1 · #121344 · protein
The surface engineered photosensory module (pas-gaf-phy) of the bacterial phytochrome AGP1 (ATBPHP1) in the pr form, chromophore modelled with an endocyclic double bond in pyrrole ring a.
5HSQ · Bacteriophytochrome protein: “The surface engineered photosensory module (pas-gaf-phy) of the bacterial phytochrome AGP1 (ATBPHP1) in the…”. X-ray diffraction, 2 ligands (BLA, CA), 4 pockets (best druggability 0.79). MolNFT v1…
- PDB
- 5HSQ
- Type
- protein
- Length
- 488 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacteriophytochrome protein
- UniProt
- Q7CY45
- Ligands
- BLA, CA
- Pockets
- 4 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bacteriophytochrome protein | protein | 488 | 37% helix, 27% strand | Q7CY45 |
Ligands and binding sites
- BLA · Biliverdine IX alpha · ligand · chains A
- CA · Calcium ion · metal · chains A
- GOL · Glycerol · additive · chains A
- IMD · Imidazole · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 639 | 0.79 | 0.84 | 85 | BLA, CA, IMD |
| 2 | 146 | 0.54 | 0.81 | 26 | empty |
| 3 | 89 | 0.33 | 0.73 | 19 | empty |
| 4 | 54 | 0.29 | 0.75 | 21 | empty |
Modifications
Observed in the structure: 1 cofactor (biliverdin attachment).
Compared structures
- 5HSQ · The surface engineered photosensory module (PAS-GAF-PHY) of the bacterial phytochrome… · 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 Q7CY45
- Elsewhere: RCSB PDB 5HSQ · PDBe 5HSQ · UniProt Q7CY45
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