MolNFT v1 · #143816 · protein
Stigmatella aurantiaca bacterial phytochrome pas-gaf-phy, T289H mutant
6BAP · Photoreceptor-histidine kinase bphp: “Stigmatella aurantiaca bacterial phytochrome pas-gaf-phy, T289H mutant”. X-ray diffraction, 1 ligand (BLR), 20 pockets (best druggability 0.84). MolNFT v1 #143816 on GenesisL1: 3D structure…
- PDB
- 6BAP
- Type
- protein
- Length
- 1,510 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Photoreceptor-histidine kinase bphp
- UniProt
- Q097N3
- Ligands
- BLR
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Photoreceptor-histidine kinase bphp | protein | 505 | 35% helix, 24% strand | Q097N3 |
| C | Photoreceptor-histidine kinase bphp | protein | 500 | 19% helix, 13% 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 · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 295 | 0.84 | 0.94 | 41 | BLR |
| 2 | 833 | 0.83 | 0.85 | 80 | empty |
| 3 | 692 | 0.83 | 0.87 | 72 | BLR |
| 4 | 656 | 0.81 | 0.85 | 83 | BLR |
| 5 | 486 | 0.73 | 0.82 | 61 | empty |
Interfaces
2 interfaces between chains.
- A–B · 1923 Ų buried · 26 hydrogen bonds · protein-protein
- A–C · 694 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 covalent (covalent ligand).
Compared structures
- 6BAP · Stigmatella aurantiaca bacterial phytochrome PAS-GAF-PHY, T289H mutant · 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 6BAP · PDBe 6BAP · UniProt Q097N3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.