MolNFT v1 · #150746 · protein
The crystal structure of SBD1-SBD2 tandem of glnpq transporter
6H30 · Glutamine ABC transporter permease and substrate binding…: “The crystal structure of SBD1-SBD2 tandem of glnpq transporter”. X-ray diffraction, 10 pockets (best druggability 0.72). MolNFT v1 #150746 on GenesisL1: 3D structure…
- PDB
- 6H30
- Type
- protein
- Length
- 910 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutamine ABC transporter permease and substrate binding protein protein
- UniProt
- Q9CES5
- Pockets
- 10 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutamine ABC transporter permease and substrate binding protein protein | protein | 456 | 38% helix, 25% strand | Q9CES5 |
| B | Glutamine ABC transporter permease and substrate binding protein protein | protein | 454 | 38% helix, 25% strand | Q9CES5 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 30 copies · chains A, B
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 5 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · 5 copies · chains A, B
- PGE · Triethylene glycol · additive · 4 copies · chains A, B
- PE5 · 3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol · additive · 2 copies · chains A, B
- 1PE · Pentaethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 862 | 0.72 | 0.77 | 57 | PE5 |
| 2 | 805 | 0.71 | 0.77 | 56 | PEG |
| 3 | 739 | 0.68 | 0.75 | 49 | PEG, MES, PGE |
| 4 | 580 | 0.64 | 0.75 | 65 | PEG, MES, 1PE |
| 5 | 309 | 0.57 | 0.77 | 48 | PEG |
Interfaces
1 interface between chains.
- A–B · 897 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 6H30 · The crystal structure of SBD1-SBD2 tandem of GlnPQ transporter · 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 Q9CES5
- Elsewhere: RCSB PDB 6H30 · PDBe 6H30 · UniProt Q9CES5
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