Research workbench
Semet-rns, in complex with potential inhibitor
Analyse Semet-rns, in complex with potential inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6XIV
- Type
- protein
- Length
- 513 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Regulatory protein rns
- UniProt
- P16114
- Ligands
- DKA, LMR
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Regulatory protein rns | protein | 257 | 48% helix, 16% strand | P16114 |
| B | Regulatory protein rns | protein | 256 | 47% helix, 17% strand | P16114 |
Ligands and binding sites
- DKA · Decanoic acid · ligand · 2 copies · chains A, B
- LMR · (2S)-2-hydroxybutanedioic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1172 | 0.80 | 0.81 | 94 | DKA |
| 2 | 386 | 0.75 | 0.84 | 32 | DKA |
| 3 | 71 | 0.72 | 0.95 | 19 | empty |
| 4 | 673 | 0.72 | 0.79 | 51 | LMR |
| 5 | 195 | 0.51 | 0.77 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 604 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 modified (engineered).
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 6XIV · PDBe 6XIV · UniProt P16114
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