MolNFT v1 · #112816 · protein
Crystal structure of organophosphate ANHYDROLASE/PROLIDASE mutant Y212F, V342L, I215Y
4ZWU: “Crystal structure of organophosphate ANHYDROLASE/PROLIDASE mutant Y212F, V342L, I215Y”. X-ray diffraction, 3 ligands (GOA, MN, BA), 8 pockets (best druggability 0.85). MolNFT v1 #112816 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4ZWU
- Type
- protein
- Length
- 870 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Organophosphate ANHYDROLASE/PROLIDASE
- EC
- 3.4.13.9, 3.1.8.2, 3.1.8.1
- UniProt
- Q44238
- Ligands
- GOA, MN, BA
- Pockets
- 8 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Organophosphate ANHYDROLASE/PROLIDASE (EC 3.4.13.9, 3.1.8.2, 3.1.8.1) | protein | 435 | 39% helix, 18% strand | Q44238 |
| B | Organophosphate ANHYDROLASE/PROLIDASE (EC 3.4.13.9, 3.1.8.2, 3.1.8.1) | protein | 435 | 39% helix, 18% strand | Q44238 |
Ligands and binding sites
- GOA · Glycolic acid · ligand · chains B
- MN · Manganese (II) ion · metal · 6 copies · chains A, B
- BA · Barium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1061 | 0.85 | 0.86 | 125 | empty |
| 2 | 305 | 0.63 | 0.80 | 46 | GOA |
| 3 | 166 | 0.44 | 0.75 | 20 | empty |
| 4 | 110 | 0.39 | 0.75 | 17 | empty |
| 5 | 73 | 0.34 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 2413 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 4ZWU · Crystal structure of organophosphate anhydrolase/prolidase mutant Y212F, V342L, I215Y · the same entry in another collection · chain A against A, TM-score 1.00
- Q44238 · AlphaFold monomer V2.0 prediction for xaa-pro dipeptidase (Q44238) · a predicted model of the same protein · chain A 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 Q44238
- Elsewhere: RCSB PDB 4ZWU · PDBe 4ZWU · UniProt Q44238
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.