MolNFT v1 · #153657 · protein
Crystal structure of aspartate transcarbamoylase from trypanosoma cruzi in complex with phosphate (pi).
6JL6 · Aspartate carbamoyltransferase: “Crystal structure of aspartate transcarbamoylase from trypanosoma cruzi in complex with phosphate (pi).”. X-ray diffraction, 2 ligands (ASP, PO4), 20 pockets (best druggability 0.86). MolNFT v1…
- PDB
- 6JL6
- Type
- protein
- Length
- 1,853 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
- Ligands
- ASP, PO4
- Pockets
- 20 · best druggability 0.86
Structure
x-ray diffraction · 6 distinct chains · 45% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 303 | 43% helix, 15% strand | O15636 |
| B | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 299 | 45% helix, 15% strand | O15636 |
| C | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 318 | 46% helix, 15% strand | O15636 |
| D | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 302 | 44% helix, 15% strand | O15636 |
| E | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 317 | 47% helix, 15% strand | O15636 |
| F | Aspartate carbamoyltransferase (EC 2.1.3.2) | protein | 314 | 45% helix, 15% strand | O15636 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1098 | 0.86 | 0.87 | 130 | empty |
| 2 | 421 | 0.82 | 0.90 | 54 | empty |
| 3 | 1046 | 0.81 | 0.83 | 112 | ASP |
| 4 | 248 | 0.73 | 0.87 | 41 | empty |
| 5 | 281 | 0.63 | 0.81 | 42 | empty |
Interfaces
8 interfaces between chains.
- A–C · 1078 Ų buried · 17 hydrogen bonds · protein-protein
- E–F · 917 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 912 Ų buried · 15 hydrogen bonds · protein-protein
- D–F · 892 Ų buried · 14 hydrogen bonds · protein-protein
- D–E · 885 Ų buried · 15 hydrogen bonds · protein-protein
Compared structures
- 6JL6 · Crystal structure of aspartate transcarbamoylase from Trypanosoma cruzi in complex with… · 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 6JL6 · PDBe 6JL6 · UniProt O15636
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