Research workbench
Crystal structure of truncated aspartate transcarbamoylase from plasmodium falciparum in complex with bda-14
Analyse Crystal structure of truncated aspartate transcarbamoylase from plasmodium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7ZID
- Type
- protein
- Length
- 970 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate carbamoyltransferase
- EC
- 2.1.3.2
- UniProt
- A0A5K1K910
- Ligands
- EIZ, SO4
- Pockets
- 10 · best druggability 0.81
Structure
x-ray diffraction · 3 distinct chains · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 320 | 42% helix, 17% strand | A0A5K1K910 |
| B | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 331 | 47% helix, 16% strand | A0A5K1K910 |
| C | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 319 | 44% helix, 17% strand | A0A5K1K910 |
Ligands and binding sites
- EIZ · tert-butyl N-[3-(2-hydroxyethylcarbamoyl)-5-phenyl-thiophen-2-yl]carbamate · ligand · chains B, C
- SO4 · Sulfate ion · ion · 2 copies · chains A, B, C
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 250 | 0.81 | 0.94 | 40 | SO4 |
| 2 | 478 | 0.77 | 0.85 | 57 | EIZ |
| 3 | 500 | 0.77 | 0.85 | 54 | empty |
| 4 | 435 | 0.72 | 0.82 | 49 | empty |
| 5 | 230 | 0.57 | 0.79 | 40 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1037 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 1000 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 990 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 7ZID · Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in… · 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 A0A5K1K910
- Elsewhere: RCSB PDB 7ZID · PDBe 7ZID · UniProt A0A5K1K910
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