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Crystal structure of putative phosphatase (DUF442) (YP_001181608.1) from shewanella putrefaciens cn-32 at 1.40 a resolution
Analyse Crystal structure of putative phosphatase (DUF442) (YP_001181608.1) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3GXH
- Type
- protein
- Length
- 307 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative phosphatase (DUF442)
- UniProt
- A4Y1H6
- Ligands
- SO4, CL
- Pockets
- 3 · best druggability 0.40
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative phosphatase (DUF442) | protein | 156 | 45% helix, 14% strand | A4Y1H6 |
| B | Putative phosphatase (DUF442) | protein | 151 | 44% helix, 15% strand | A4Y1H6 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- CL · Chloride ion · ion · 3 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 128 | 0.40 | 0.74 | 18 | SO4 |
| 2 | 87 | 0.36 | 0.75 | 14 | SO4 |
| 3 | 57 | 0.26 | 0.72 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 644 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 3GXH · Crystal structure of Putative phosphatase (DUF442) (YP_001181608.1) from SHEWANELLA… · 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 A4Y1H6
- Elsewhere: RCSB PDB 3GXH · PDBe 3GXH · UniProt A4Y1H6
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