MolNFT v1 · #10127 · protein
Crystal structure of trigonal form of D90E mutant of escherichia COLI asparaginase II
1IHD · L-asparaginase II: “Crystal structure of trigonal form of D90E mutant of escherichia COLI asparaginase II”. X-ray diffraction, 5 pockets (best druggability 0.70). MolNFT v1 #10127 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1IHD
- Type
- protein
- Length
- 615 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- L-asparaginase II
- EC
- 3.5.1.1
- UniProt
- P00805
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | L-asparaginase II (EC 3.5.1.1) | protein | 307 | 32% helix, 22% strand | P00805 |
| C | L-asparaginase II (EC 3.5.1.1) | protein | 308 | 33% helix, 22% strand | P00805 |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 124 | 0.70 | 0.91 | 30 | empty |
| 2 | 112 | 0.47 | 0.80 | 29 | empty |
| 3 | 162 | 0.46 | 0.76 | 25 | empty |
| 4 | 165 | 0.45 | 0.76 | 27 | empty |
| 5 | 79 | 0.42 | 0.80 | 23 | empty |
Interfaces
1 interface between chains.
- A–C · 2090 Ų buried · 40 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 1IHD · Crystal Structure of Trigonal Form of D90E Mutant of Escherichia coli Asparaginase II · the same entry in another collection · chain A against A, TM-score 1.00
- P00805 · AlphaFold monomer V2.0 prediction for L-asparaginase 2 (P00805) · a predicted model of the same protein · chain A 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 P00805
- Elsewhere: RCSB PDB 1IHD · PDBe 1IHD · UniProt P00805
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