MolNFT v1 · #20268 · protein
Structure analysis of prox in complex with proline betaine
1R9Q · Glycine betaine-binding periplasmic protein: “Structure analysis of prox in complex with proline betaine”. X-ray diffraction, 2 ligands (PBE, UNX), 2 pockets (best druggability 0.74). MolNFT v1 #20268 on GenesisL1: 3D structure…
- PDB
- 1R9Q
- Type
- protein
- Length
- 309 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glycine betaine-binding periplasmic protein
- UniProt
- P14177
- Ligands
- PBE, UNX
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glycine betaine-binding periplasmic protein | protein | 309 | 44% helix, 18% strand | P14177 |
Ligands and binding sites
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 | 66 | 0.74 | 0.98 | 20 | PBE |
| 2 | 71 | 0.36 | 0.77 | 19 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 1R9Q · structure analysis of ProX in complex with proline betaine · 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 P14177
- Elsewhere: RCSB PDB 1R9Q · PDBe 1R9Q · UniProt P14177
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