MolNFT v1 · #162209 · protein
The photosensory core module (pas-gaf-phy) of the bacterial phytochrome AGP1 (ATBPHP1) locked in a pr-like state
6R26 · Bacteriophytochrome protein: “The photosensory core module (pas-gaf-phy) of the bacterial phytochrome AGP1 (ATBPHP1) locked in a pr-like…”. X-ray diffraction, 2 ligands (JQ2, CA), 3 pockets (best druggability 0.80). MolNFT v1…
- PDB
- 6R26
- Type
- protein
- Length
- 479 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacteriophytochrome protein
- UniProt
- Q7CY45
- Ligands
- JQ2, CA
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bacteriophytochrome protein | protein | 479 | 35% helix, 25% strand | Q7CY45 |
Ligands and binding sites
- JQ2 · 3-[2-[(~{Z})-[12-ethyl-6-(3-hydroxy-3-oxopropyl)-13-methyl-11-oxidanylidene-4,10-diazatricyclo[8.3.0.0^{3, 7}]trideca-1,3,6,12-tetraen-5-ylidene]methyl]-5-[(~{Z})-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid · ligand · chains A
- CA · Calcium ion · metal · chains A
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 | 394 | 0.80 | 0.89 | 53 | JQ2 |
| 2 | 178 | 0.57 | 0.81 | 21 | empty |
| 3 | 77 | 0.31 | 0.73 | 18 | CA |
Modifications
Observed in the structure: 10 modified, 1 covalent (engineered, covalent ligand).
Compared structures
- 6R26 · The photosensory core module (PAS-GAF-PHY) of the bacterial phytochrome Agp1 (AtBphP1)… · 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 6R26 · PDBe 6R26 · UniProt Q7CY45
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