Research workbench
Crystal structure of truncated aspartate transcarbamoylase from plasmodium falciparum with mutated active site (R109A/K138A) and N- carbamoyl-L-phosphate bound
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
- 6HL7
- Type
- protein
- Length
- 974 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate transcarbamoylase
- EC
- 2.1.3.2
- UniProt
- O15804
- Ligands
- CP
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartate transcarbamoylase (EC 2.1.3.2) | protein | 335 | 44% helix, 15% strand | O15804 |
| B | Aspartate transcarbamoylase (EC 2.1.3.2) | protein | 317 | 45% helix, 15% strand | O15804 |
| C | Aspartate transcarbamoylase (EC 2.1.3.2) | protein | 322 | 43% helix, 14% strand | O15804 |
Ligands and binding sites
- CP · Phosphoric acid mono(formamide)ester · ligand · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1006 | 0.82 | 0.83 | 136 | CP |
| 2 | 375 | 0.69 | 0.82 | 49 | empty |
| 3 | 218 | 0.54 | 0.78 | 34 | empty |
| 4 | 183 | 0.52 | 0.78 | 31 | empty |
| 5 | 201 | 0.50 | 0.77 | 35 | empty |
Interfaces
3 interfaces between chains.
- A–C · 894 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 893 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 773 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6HL7 · Crystal structure of truncated aspartate transcarbamoylase from Plasmodium falciparum… · 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 O15804
- Elsewhere: RCSB PDB 6HL7 · PDBe 6HL7 · UniProt O15804
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