Research workbench
Structure of the SSZ1 ATPase bound to ATP and magnesium
Analyse Structure of the SSZ1 ATPase bound to ATP and magnesium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GNI
- Type
- protein
- Length
- 769 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative heat shock protein
- UniProt
- G0RZX9
- Ligands
- ATP, MG
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative heat shock protein | protein | 385 | 42% helix, 29% strand | G0RZX9 |
| B | Putative heat shock protein | protein | 384 | 40% helix, 29% strand | G0RZX9 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 521 | 0.80 | 0.87 | 67 | MG, ATP |
| 2 | 533 | 0.80 | 0.87 | 77 | MG, ATP |
| 3 | 1130 | 0.78 | 0.80 | 90 | empty |
| 4 | 134 | 0.50 | 0.80 | 23 | empty |
| 5 | 108 | 0.45 | 0.79 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 951 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 4GNI · Structure of the Ssz1 ATPase bound to ATP and Magnesium · 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 G0RZX9
- Elsewhere: RCSB PDB 4GNI · PDBe 4GNI · UniProt G0RZX9
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