MolNFT v1 · #107870 · protein
Crystal structure of phosphonate monoester hydrolase of agrobacterium radiobacter
4UPH · Sulfatase (sulfuric ester hydrolase) protein: “Crystal structure of phosphonate monoester hydrolase of agrobacterium radiobacter”. X-ray diffraction, 2 ligands (MG, CL), 17 pockets (best druggability 0.79). MolNFT v1 #107870 on…
- PDB
- 4UPH
- Type
- protein
- Length
- 2,016 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfatase (sulfuric ester hydrolase) protein
- UniProt
- B9JE48
- Ligands
- MG, CL
- Pockets
- 17 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Sulfatase (sulfuric ester hydrolase) protein | protein | 504 | 34% helix, 16% strand | B9JE48 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
- CL · Chloride ion · ion · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 928 | 0.79 | 0.82 | 92 | empty |
| 2 | 1183 | 0.78 | 0.80 | 101 | empty |
| 3 | 674 | 0.73 | 0.79 | 64 | empty |
| 4 | 613 | 0.72 | 0.79 | 58 | empty |
| 5 | 74 | 0.72 | 0.97 | 29 | empty |
Interfaces
4 interfaces between chains.
- B–D · 2812 Ų buried · 39 hydrogen bonds · protein-protein
- A–C · 2784 Ų buried · 40 hydrogen bonds · protein-protein
- A–B · 988 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 979 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (nonstandard).
Compared structures
- 4UPH · Crystal Structure of Phosphonate Monoester Hydrolase of Agrobacterium radiobacter · the same entry in another collection · 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 B9JE48
- Elsewhere: RCSB PDB 4UPH · PDBe 4UPH · UniProt B9JE48
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.