MolNFT v1 · #162361 · protein
Structure of a fpvc mutant from pseudomonas aeruginosa
6R6K · ABC transporter substrate-binding protein: “Structure of a fpvc mutant from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (NA), 6 pockets (best druggability 0.73). MolNFT v1 #162361 on GenesisL1: 3D structure, binding sites…
- PDB
- 6R6K
- Type
- protein
- Length
- 548 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC transporter substrate-binding protein
- UniProt
- A0A3G3N2S3
- Ligands
- NA
- Pockets
- 6 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABC transporter substrate-binding protein | protein | 275 | 50% helix, 15% strand | A0A3G3N2S3 |
| B | ABC transporter substrate-binding protein | protein | 273 | 49% helix, 14% strand | A0A3G3N2S3 |
Ligands and binding sites
- NA · Sodium ion · metal · 6 copies · chains A
- EDO · 1,2-ethanediol · additive · 21 copies · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 860 | 0.73 | 0.78 | 82 | NA, EDO, GOL, PEG |
| 2 | 331 | 0.60 | 0.78 | 39 | empty |
| 3 | 250 | 0.55 | 0.77 | 38 | EDO |
| 4 | 92 | 0.42 | 0.78 | 21 | EDO |
| 5 | 53 | 0.29 | 0.75 | 13 | EDO, GOL |
Interfaces
1 interface between chains.
- A–B · 728 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6R6K · Structure of a FpvC mutant from pseudomonas aeruginosa · 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 A0A3G3N2S3
- Elsewhere: RCSB PDB 6R6K · PDBe 6R6K · UniProt A0A3G3N2S3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.