MolNFT v1 · #153306 · protein
Crystal structure of ABC transporter alpha-glycoside-binding protein in complex with glucose
6JAH · ABC transporter, periplasmic substrate-binding protein: “Crystal structure of ABC transporter alpha-glycoside-binding protein in complex with glucose”. X-ray diffraction, 3 ligands (BA9, BA6, GLC), 2 pockets (best druggability…
- PDB
- 6JAH
- Type
- protein
- Length
- 404 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC transporter, periplasmic substrate-binding protein
- UniProt
- Q5SLD7
- Ligands
- BA9, BA6, GLC
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABC transporter, periplasmic substrate-binding protein | protein | 404 | 50% helix, 16% strand | Q5SLD7 |
Ligands and binding sites
- BA9 · propane-2,2-diol · ligand · chains A
- BA6 · (2S)-heptane-1,2,7-triol · ligand · chains A
- GLC · alpha-D-glucopyranose · sugar · chains A
- CIT · Citric acid · additive · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 154 | 0.79 | 0.95 | 31 | GLC, EDO |
| 2 | 70 | 0.33 | 0.76 | 20 | empty |
Compared structures
- 6JAH · Crystal structure of ABC transporter alpha-glycoside-binding protein in complex with… · 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 Q5SLD7
- Elsewhere: RCSB PDB 6JAH · PDBe 6JAH · UniProt Q5SLD7
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