MolNFT v1 · #50 · protein
Asparagine synthetase mutant C51A, C315A complexed with L-asparagine
11AS: “Asparagine synthetase mutant C51A, C315A complexed with L-asparagine”. X-ray diffraction, 1 ligand (ASN), 7 pockets (best druggability 0.76). MolNFT v1 #50 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 11AS
- Type
- protein
- Length
- 654 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Asparagine synthetase
- EC
- 6.3.1.1
- UniProt
- P00963
- Ligands
- ASN
- Pockets
- 7 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Asparagine synthetase (EC 6.3.1.1) | protein | 327 | 34% helix, 20% strand | P00963 |
Ligands and binding sites
- ASN · Asparagine · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 585 | 0.76 | 0.83 | 58 | empty |
| 2 | 479 | 0.74 | 0.83 | 54 | ASN |
| 3 | 497 | 0.72 | 0.81 | 57 | ASN |
| 4 | 256 | 0.60 | 0.79 | 30 | empty |
| 5 | 243 | 0.59 | 0.80 | 34 | empty |
Interfaces
1 interface between chains.
- A–B · 1897 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 11AS · Asparagine synthetase mutant C51A, C315A complexed with L-asparagine · the same entry in another collection · chain A against A, TM-score 1.00
- P00963 · AlphaFold monomer V2.0 prediction for aspartate--ammonia ligase (P00963) · a predicted model of the same protein · chain B 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 P00963
- Elsewhere: RCSB PDB 11AS · PDBe 11AS · UniProt P00963
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