MolNFT v1 · #127222 · protein
A protease-resistant N24S escherichia COLI asparaginase mutant with outstanding stability and enhanced anti-leukaemic activity
5MQ5 · L-asparaginase 2: “A protease-resistant N24S escherichia COLI asparaginase mutant with outstanding stability and enhanced…”. X-ray diffraction, 1 ligand (ASP), 15 pockets (best druggability 0.74). MolNFT v1 #127222 on GenesisL1: 3D…
- PDB
- 5MQ5
- Type
- protein
- Length
- 1,282 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-asparaginase 2
- EC
- 3.5.1.1
- UniProt
- P00805
- Ligands
- ASP
- Pockets
- 15 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 34% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | L-asparaginase 2 (EC 3.5.1.1) | protein | 316 | 34% helix, 23% strand | P00805 |
| C, B | L-asparaginase 2 (EC 3.5.1.1) | protein | 326 | 34% helix, 24% strand | P00805 |
| D | L-asparaginase 2 (EC 3.5.1.1) | protein | 314 | 35% helix, 24% strand | P00805 |
Ligands and binding sites
- ASP · Aspartic acid · ligand · 4 copies · chains A, C, B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 81 | 0.74 | 0.97 | 26 | empty |
| 2 | 147 | 0.55 | 0.81 | 32 | ASP |
| 3 | 99 | 0.53 | 0.83 | 25 | empty |
| 4 | 134 | 0.51 | 0.80 | 25 | empty |
| 5 | 229 | 0.47 | 0.74 | 30 | empty |
Interfaces
3 interfaces between chains.
- A–C · 2230 Ų buried · 45 hydrogen bonds · protein-protein
- B–D · 2217 Ų buried · 47 hydrogen bonds · protein-protein
- C–B · 218 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 5MQ5 · A protease-resistant N24S Escherichia coli Asparaginase mutant with outstanding stability… · the same entry in another collection · chain D against D, TM-score 1.00
- P00805 · AlphaFold monomer V2.0 prediction for L-asparaginase 2 (P00805) · a predicted model of the same protein · chain C 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 P00805
- Elsewhere: RCSB PDB 5MQ5 · PDBe 5MQ5 · UniProt P00805
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