Research workbench
wild-type apo-form E. coli ATCase holoenzyme with an unusual open conformation of R167
Analyse wild-type apo-form E. coli ATCase holoenzyme with an unusual open conformation… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6KJB
- Type
- protein
- Length
- 434 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.06
- Source
- Escherichia coli K-12
- Molecule
- Aspartate carbamoyltransferase catalytic subunit; Aspartate carbamoyltransferase…
- EC
- 2.1.3.2
- UniProt
- P0A786, P0A7F3
- Ligands
- ZN
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · resolution 2.06 · 2 distinct chains · 34% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartate carbamoyltransferase catalytic subunit (EC 2.1.3.2) | protein | 300 | 43% helix, 17% strand | P0A786 |
| B | Aspartate carbamoyltransferase regulatory chain | protein | 134 | 14% helix, 31% strand | P0A7F3 |
Ligands and binding sites
- ZN · Zinc ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 496 | 0.67 | 0.79 | 52 | empty |
| 2 | 75 | 0.43 | 0.80 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 645 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 6KJB · Wild-type apo-form E. COLI atcase holoenzyme with an unusual open conformation of R167 · the same entry in another collection · chain A against A, TM-score 1.00
- P0A786 · AlphaFold monomer V2.0 prediction for aspartate carbamoyltransferase catalytic subunit… · a predicted model of the same protein · chain A against A, TM-score 0.98
- P0A7F3 · AlphaFold monomer V2.0 prediction for aspartate carbamoyltransferase regulatory chain… · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P0A786
- Every structure of UniProt P0A7F3
- Elsewhere: RCSB PDB 6KJB · PDBe 6KJB · UniProt P0A786 · UniProt P0A7F3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.