MolNFT v1 · #106262 · protein
The crystal structure of ABC transporter permease from pseudomonas fluorescens group
4RU0 · Putative branched-chain amino acid ABC transporter…: “The crystal structure of ABC transporter permease from pseudomonas fluorescens group”. X-ray diffraction, 1 ligand (P3G), 6 pockets (best druggability 0.78). MolNFT v1 #106262 on…
- PDB
- 4RU0
- Type
- protein
- Length
- 830 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative branched-chain amino acid ABC transporter, periplasmic branched-chain amino…
- UniProt
- Q4KDF4
- Ligands
- P3G
- Pockets
- 6 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative branched-chain amino acid ABC transporter, periplasmic branched-chain amino acid-binding protein | protein | 415 | 46% helix, 16% strand | Q4KDF4 |
Ligands and binding sites
- P3G · 3,6,9,12,15-pentaoxaheptadecane · ligand · 2 copies · chains A, B
- GOL · Glycerol · 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 | 553 | 0.78 | 0.84 | 52 | P3G |
| 2 | 537 | 0.78 | 0.84 | 58 | P3G |
| 3 | 85 | 0.53 | 0.85 | 23 | empty |
| 4 | 74 | 0.34 | 0.76 | 19 | empty |
| 5 | 58 | 0.29 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 506 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified, 4 disulfide (engineered, disulfide).
Compared structures
- 4RU0 · The crystal structure of abc transporter permease from pseudomonas fluorescens group · 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 Q4KDF4
- Elsewhere: RCSB PDB 4RU0 · PDBe 4RU0 · UniProt Q4KDF4
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