MolNFT v1 · #56289 · protein
Orthorhombic crystal structure of precursor E. COLI isoaspartyl PEPTIDASE/L-asparaginase (ecaiii) with active-site T179A mutation
2ZAK · L-asparaginase precursor: “Orthorhombic crystal structure of precursor E. COLI isoaspartyl PEPTIDASE/L-asparaginase (ecaiii) with…”. X-ray diffraction, 2 ligands (NA, CL), 4 pockets (best druggability 0.58). MolNFT v1 #56289 on…
- PDB
- 2ZAK
- Type
- protein
- Length
- 591 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-asparaginase precursor
- EC
- 3.4.19.5, 3.5.1.1
- UniProt
- P37595
- Ligands
- NA, CL
- Pockets
- 4 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | L-asparaginase precursor (EC 3.4.19.5, 3.5.1.1) | protein | 298 | 38% helix, 26% strand | P37595 |
| B | L-asparaginase precursor (EC 3.4.19.5, 3.5.1.1) | protein | 293 | 36% helix, 26% strand | P37595 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 314 | 0.58 | 0.77 | 42 | empty |
| 2 | 285 | 0.56 | 0.77 | 40 | empty |
| 3 | 253 | 0.50 | 0.74 | 44 | empty |
| 4 | 59 | 0.38 | 0.79 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1566 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 2ZAK · Orthorhombic crystal structure of precursor E. coli isoaspartyl peptidase/L-asparaginase… · the same entry in another collection · chain A against A, TM-score 1.00
- P37595 · AlphaFold monomer V2.0 prediction for isoaspartyl peptidase (P37595) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P37595
- Elsewhere: RCSB PDB 2ZAK · PDBe 2ZAK · UniProt P37595
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