MolNFT v1 · #18163 · protein
Crystal structure of the unligated (T-state) aspartate transcarbamoylase from the extremely thermophilic archaeon sulfolobus acidocaldarius
1PG5 · Aspartate carbamoyltransferase: “Crystal structure of the unligated (T-state) aspartate transcarbamoylase from the extremely thermophilic…”. X-ray diffraction, 1 ligand (ZN), 3 pockets (best druggability 0.65). MolNFT v1 #18163 on…
- PDB
- 1PG5
- Type
- protein
- Length
- 440 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate carbamoyltransferase; Aspartate carbamoyltransferase regulatory chain
- EC
- 2.1.3.2
- UniProt
- Q55338, P74766
- Ligands
- ZN
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 292 | 45% helix, 18% strand | Q55338 |
| B | Aspartate carbamoyltransferase regulatory chain | protein | 148 | 17% helix, 37% strand | P74766 |
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
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 363 | 0.65 | 0.80 | 35 | empty |
| 2 | 169 | 0.54 | 0.80 | 23 | empty |
| 3 | 68 | 0.35 | 0.78 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 693 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 1PG5 · Crystal structure of the unligated (T-state) aspartate transcarbamoylase from the… · the same entry in another collection · chain A against A, TM-score 1.00
- Q55338 · AlphaFold monomer V2.0 prediction for aspartate carbamoyltransferase (Q55338) · a predicted model of the same protein · chain A against A, TM-score 0.99
- P74766 · AlphaFold monomer V2.0 prediction for aspartate carbamoyltransferase regulatory chain… · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q55338
- Every structure of UniProt P74766
- Elsewhere: RCSB PDB 1PG5 · PDBe 1PG5 · UniProt Q55338 · UniProt P74766
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