Research workbench
Crystal structure of MSMEG_0858 (uniprot A0QQS4), a aaa ATPase.
Analyse Crystal structure of MSMEG_0858 (uniprot A0QQS4), a aaa ATPase. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5E7P
- Type
- protein
- Length
- 1,423 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cell division control protein CDC48
- EC
- 3.6.4.6
- UniProt
- A0QQS4
- Ligands
- ADP
- Pockets
- 16 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cell division control protein CDC48 (EC 3.6.4.6) | protein | 719 | 41% helix, 18% strand | A0QQS4 |
| B | Cell division control protein CDC48 (EC 3.6.4.6) | protein | 704 | 42% helix, 18% strand | A0QQS4 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 4 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
- PGE · Triethylene glycol · additive · 2 copies · chains B
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 840 | 0.81 | 0.84 | 90 | ADP, GOL |
| 2 | 1132 | 0.79 | 0.81 | 105 | empty |
| 3 | 877 | 0.79 | 0.82 | 99 | PGE |
| 4 | 790 | 0.78 | 0.82 | 89 | ADP, GOL |
| 5 | 882 | 0.77 | 0.80 | 90 | PG4, GOL |
Interfaces
1 interface between chains.
- A–B · 1244 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 5E7P · Crystal Structure of MSMEG_0858 (Uniprot A0QQS4), a AAA ATPase. · 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 A0QQS4
- Elsewhere: RCSB PDB 5E7P · PDBe 5E7P · UniProt A0QQS4
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