MolNFT v1 · #15654 · protein
Aspartate transcarbamoylase regulatory chain mutant (T82A)
1NBE: “Aspartate transcarbamoylase regulatory chain mutant (T82A)”. X-ray diffraction, 2 ligands (MLT, ZN), 9 pockets (best druggability 0.70). MolNFT v1 #15654 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1NBE
- Type
- protein
- Length
- 926 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aspartate transcarbamoylase
- EC
- 2.1.3.2
- UniProt
- P0A786, P0A7F3
- Ligands
- MLT, ZN
- Pockets
- 9 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Aspartate transcarbamoylase (EC 2.1.3.2) | protein | 310 | 41% helix, 15% strand | P0A786 |
| B, D | Aspartate transcarbamoylase (EC 2.1.3.2) | protein | 153 | 14% helix, 40% strand | P0A7F3 |
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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 468 | 0.70 | 0.80 | 53 | empty |
| 2 | 303 | 0.64 | 0.81 | 32 | MLT |
| 3 | 313 | 0.62 | 0.79 | 30 | MLT |
| 4 | 162 | 0.49 | 0.77 | 23 | empty |
| 5 | 98 | 0.41 | 0.77 | 17 | empty |
Interfaces
3 interfaces between chains.
- B–D · 1107 Ų buried · 25 hydrogen bonds · protein-protein
- C–D · 671 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 663 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 1NBE · Aspartate transcarbamoylase regulatory chain mutant (T82A) · the same entry in another collection · chain A against A, TM-score 1.00
- P0A786 · AlphaFold monomer V2.0 prediction for aspartate carbamoyltransferase catalytic subunit… · a predicted model of the same protein · chain A against A, TM-score 0.98
- P0A7F3 · AlphaFold monomer V2.0 prediction for aspartate carbamoyltransferase regulatory chain… · a predicted model of the same protein · chain B against A, TM-score 0.92
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 P0A786
- Every structure of UniProt P0A7F3
- Elsewhere: RCSB PDB 1NBE · PDBe 1NBE · UniProt P0A786 · UniProt P0A7F3
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