Research workbench
Crystal structure of para family ATPase from chlorobium tepidum tls
Analyse Crystal structure of para family ATPase from chlorobium tepidum tls in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3EA0
- Type
- protein
- Length
- 482 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATPase, para family
- UniProt
- Q8KF94
- Ligands
- ATP, MG
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATPase, para family | protein | 240 | 45% helix, 18% strand | Q8KF94 |
| B | ATPase, para family | protein | 242 | 43% helix, 16% strand | Q8KF94 |
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
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1096 | 0.86 | 0.88 | 99 | ATP, MG |
| 2 | 71 | 0.40 | 0.79 | 17 | empty |
| 3 | 65 | 0.36 | 0.77 | 14 | empty |
| 4 | 56 | 0.35 | 0.79 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1351 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 3EA0 · Crystal Structure of ParA Family ATPase from Chlorobium tepidum TLS · 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 Q8KF94
- Elsewhere: RCSB PDB 3EA0 · PDBe 3EA0 · UniProt Q8KF94
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