MolNFT v1 · #143811 · protein
The structure of the stigmatella aurantiaca phytochrome chromophore binding domain T289H mutant
6BAK · Photoreceptor-histidine kinase bphp: “The structure of the stigmatella aurantiaca phytochrome chromophore binding domain T289H mutant”. X-ray diffraction, 1 ligand (BLR), 4 pockets (best druggability 0.77). MolNFT v1 #143811 on…
- PDB
- 6BAK
- Type
- protein
- Length
- 303 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Photoreceptor-histidine kinase bphp
- UniProt
- Q097N3
- Ligands
- BLR
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Photoreceptor-histidine kinase bphp | protein | 303 | 34% helix, 28% strand | Q097N3 |
Ligands and binding sites
- BLR · 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid · ligand · 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 | 222 | 0.77 | 0.91 | 32 | BLR |
| 2 | 292 | 0.59 | 0.78 | 22 | empty |
| 3 | 116 | 0.43 | 0.77 | 21 | empty |
| 4 | 58 | 0.37 | 0.79 | 15 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 6BAK · The structure of the Stigmatella aurantiaca phytochrome chromophore binding domain T289H… · 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 Q097N3
- Elsewhere: RCSB PDB 6BAK · PDBe 6BAK · UniProt Q097N3
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