MolNFT v1 · #153641 · protein
Crystal structure of aspartate transcarbamoylase from trypanosoma cruzi (ligand-free form)
6JKQ · Aspartate carbamoyltransferase: “Crystal structure of aspartate transcarbamoylase from trypanosoma cruzi (ligand-free form)”. X-ray diffraction, 20 pockets (best druggability 0.84). MolNFT v1 #153641 on GenesisL1: 3D structure…
- PDB
- 6JKQ
- Type
- protein
- Length
- 1,803 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate carbamoyltransferase
- EC
- 2.1.3.2
- UniProt
- O15636
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 6 distinct chains · 43% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 301 | 40% helix, 16% strand | O15636 |
| B | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 295 | 43% helix, 14% strand | O15636 |
| C | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 312 | 45% helix, 15% strand | O15636 |
| D | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 297 | 44% helix, 14% strand | O15636 |
| E | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 294 | 44% helix, 15% strand | O15636 |
| F | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 304 | 44% helix, 15% strand | O15636 |
Pockets
20 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 796 | 0.84 | 0.87 | 78 | empty |
| 2 | 429 | 0.81 | 0.89 | 51 | empty |
| 3 | 798 | 0.80 | 0.83 | 74 | empty |
| 4 | 353 | 0.71 | 0.83 | 45 | empty |
| 5 | 259 | 0.68 | 0.84 | 36 | empty |
Interfaces
7 interfaces between chains.
- D–E · 897 Ų buried · 14 hydrogen bonds · protein-protein
- E–F · 878 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 873 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 865 Ų buried · 14 hydrogen bonds · protein-protein
- B–C · 862 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6JKQ · Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi (Ligand-free form) · 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 O15636
- Elsewhere: RCSB PDB 6JKQ · PDBe 6JKQ · UniProt O15636
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.