MolNFT v1 · #49184 · protein
Structure of a regulatory subunit mutant D19A of atcase from E. COLI
2QG9 · Aspartate carbamoyltransferase catalytic chain: “Structure of a regulatory subunit mutant D19A of atcase from E. COLI”. X-ray diffraction, 1 ligand (ZN), 11 pockets (best druggability 0.73). MolNFT v1 #49184 on GenesisL1: 3D…
- PDB
- 2QG9
- Type
- protein
- Length
- 926 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate carbamoyltransferase catalytic chain; Aspartate carbamoyltransferase regulatory…
- EC
- 2.1.3.2
- UniProt
- P0A786, P0A7F3
- Ligands
- ZN
- Pockets
- 11 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Aspartate carbamoyltransferase catalytic chain (EC 2.1.3.2) | protein | 310 | 41% helix, 15% strand | P0A786 |
| B, D | Aspartate carbamoyltransferase regulatory chain | protein | 153 | 14% helix, 33% strand | P0A7F3 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 184 | 0.73 | 0.90 | 26 | empty |
| 2 | 351 | 0.63 | 0.79 | 32 | empty |
| 3 | 316 | 0.60 | 0.78 | 28 | empty |
| 4 | 59 | 0.57 | 0.89 | 19 | empty |
| 5 | 96 | 0.56 | 0.85 | 23 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1135 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 681 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 653 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 2QG9 · Structure of a regulatory subunit mutant D19A of ATCase from E. coli · the same entry in another collection · chain A against A, TM-score 1.00
- P0A7F3 · AlphaFold monomer V2.0 prediction for aspartate carbamoyltransferase regulatory chain… · a predicted model of the same protein · chain B against A, TM-score 0.91
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 2QG9 · PDBe 2QG9 · UniProt P0A786 · UniProt P0A7F3
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