MolNFT v1 · #122326 · protein
Crystal structure of truncated unliganded aspartate transcarbamoylase from plasmodium falciparum
5ILQ · Aspartate carbamoyltransferase: “Crystal structure of truncated unliganded aspartate transcarbamoylase from plasmodium falciparum”. X-ray diffraction, 1 ligand (SO4), 9 pockets (best druggability 0.79). MolNFT v1 #122326 on…
- PDB
- 5ILQ
- Type
- protein
- Length
- 967 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate carbamoyltransferase
- EC
- 2.1.3.2
- UniProt
- Q8IDP8
- Ligands
- SO4
- Pockets
- 9 · best druggability 0.79
Structure
x-ray diffraction · 3 distinct chains · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 318 | 42% helix, 16% strand | Q8IDP8 |
| B | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 324 | 42% helix, 15% strand | Q8IDP8 |
| C | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 325 | 43% helix, 15% strand | Q8IDP8 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 269 | 0.79 | 0.91 | 36 | GOL, SO4 |
| 2 | 393 | 0.75 | 0.85 | 51 | empty |
| 3 | 404 | 0.75 | 0.85 | 50 | empty |
| 4 | 370 | 0.73 | 0.85 | 51 | empty |
| 5 | 244 | 0.57 | 0.78 | 40 | empty |
Interfaces
3 interfaces between chains.
- B–C · 996 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 987 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 984 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5ILQ · Crystal structure of truncated unliganded Aspartate Transcarbamoylase from Plasmodium… · 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 Q8IDP8
- Elsewhere: RCSB PDB 5ILQ · PDBe 5ILQ · UniProt Q8IDP8
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