Research workbench
Etec rns bound to a potential inhibitor, decanoic acid
Analyse Etec rns bound to a potential inhibitor, decanoic acid in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6XIU
- Type
- protein
- Length
- 494 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Regulatory protein rns
- UniProt
- P16114
- Ligands
- DKA
- Pockets
- 5 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Regulatory protein rns | protein | 246 | 47% helix, 18% strand | P16114 |
| B | Regulatory protein rns | protein | 248 | 49% helix, 17% strand | P16114 |
Ligands and binding sites
- DKA · Decanoic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1109 | 0.81 | 0.82 | 122 | DKA |
| 2 | 704 | 0.79 | 0.83 | 74 | DKA |
| 3 | 59 | 0.71 | 0.97 | 19 | empty |
| 4 | 210 | 0.49 | 0.75 | 26 | empty |
| 5 | 55 | 0.34 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 720 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
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 P16114
- Elsewhere: RCSB PDB 6XIU · PDBe 6XIU · UniProt P16114
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