MolNFT v1 · #103491 · protein
Ywle arginine phosphatase from geobacillus stearothermophilus
4PIC · Arginine phosphatase ywle: “Ywle arginine phosphatase from geobacillus stearothermophilus”. X-ray diffraction, 2 ligands (PO4, SO4), 5 pockets (best druggability 0.50). MolNFT v1 #103491 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4PIC
- Type
- protein
- Length
- 308 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arginine phosphatase ywle
- UniProt
- S0F332
- Ligands
- PO4, SO4
- Pockets
- 5 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Arginine phosphatase ywle | protein | 154 | 49% helix, 14% strand | S0F332 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 216 | 0.50 | 0.75 | 26 | PO4 |
| 2 | 112 | 0.46 | 0.79 | 23 | empty |
| 3 | 105 | 0.43 | 0.78 | 23 | PO4 |
| 4 | 103 | 0.42 | 0.77 | 22 | empty |
| 5 | 67 | 0.35 | 0.77 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 526 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 4PIC · YwlE arginine phosphatase from Geobacillus stearothermophilus · the same entry in another collection · chain A against A, TM-score 1.00
- S0F332 · AlphaFold monomer V2.0 prediction for protein-arginine-phosphatase (S0F332) · a predicted model of the same protein · chain A against A, TM-score 0.94
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 S0F332
- Elsewhere: RCSB PDB 4PIC · PDBe 4PIC · UniProt S0F332
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