Research workbench
Crystal structure of SIGM54 activator (aaa+ ATPase) in the inactive state
Analyse Crystal structure of SIGM54 activator (aaa+ ATPase) in the inactive state in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1NY5
- Type
- protein
- Length
- 769 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator (ntrc family)
- UniProt
- O67198
- Ligands
- ADP, MG, PO4
- Pockets
- 8 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator (ntrc family) | protein | 384 | 49% helix, 17% strand | O67198 |
| B | Transcriptional regulator (ntrc family) | protein | 385 | 47% helix, 16% strand | O67198 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains A
- PO4 · Phosphate ion · ion · 4 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 571 | 0.81 | 0.87 | 72 | MG, ADP, GOL |
| 2 | 227 | 0.76 | 0.90 | 30 | ADP |
| 3 | 407 | 0.70 | 0.82 | 52 | empty |
| 4 | 78 | 0.52 | 0.85 | 16 | PO4 |
| 5 | 64 | 0.42 | 0.81 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 3865 Ų buried · 50 hydrogen bonds · protein-protein
Compared structures
- 1NY5 · Crystal structure of sigm54 activator (AAA+ ATPase) in the inactive state · 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 O67198
- Elsewhere: RCSB PDB 1NY5 · PDBe 1NY5 · UniProt O67198
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