MolNFT v1 · #149200 · protein
Deinococcus radiodurans bphp pas-gaf H290T mutant
6FTD · Bacteriophytochrome: “Deinococcus radiodurans bphp pas-gaf H290T mutant”. X-ray diffraction, 1 ligand (LBV), 8 pockets (best druggability 0.80). MolNFT v1 #149200 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6FTD
- Type
- protein
- Length
- 628 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bacteriophytochrome
- EC
- 2.7.13.3
- UniProt
- Q9RZA4
- Ligands
- LBV
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bacteriophytochrome (EC 2.7.13.3) | protein | 314 | 32% helix, 27% strand | Q9RZA4 |
| B | Bacteriophytochrome (EC 2.7.13.3) | protein | 314 | 32% helix, 28% strand | Q9RZA4 |
Ligands and binding sites
- LBV · 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium-2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid · ligand · 2 copies · chains A, B
- ACT · Acetate ion · additive · 6 copies · chains A, B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 512 | 0.80 | 0.87 | 66 | ACT, LBV |
| 2 | 358 | 0.77 | 0.87 | 46 | ACT, LBV |
| 3 | 187 | 0.60 | 0.82 | 38 | empty |
| 4 | 129 | 0.56 | 0.82 | 21 | empty |
| 5 | 143 | 0.56 | 0.82 | 31 | empty |
Modifications
Observed in the structure: 2 cofactor (biliverdin attachment).
Compared structures
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 Q9RZA4
- Elsewhere: RCSB PDB 6FTD · PDBe 6FTD · UniProt Q9RZA4
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