MolNFT v1 · #152446 · protein
Crystal structure of bacterial serine phosphatase bound with phosphorylated peptide
6IHT · Phosphorylated protein phosphatase: “Crystal structure of bacterial serine phosphatase bound with phosphorylated peptide”. X-ray diffraction, 2 ligands (MN, MG), 1 pocket (best druggability 0.51). MolNFT v1 #152446 on GenesisL1: 3D…
- PDB
- 6IHT
- Type
- protein
- Length
- 246 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphorylated protein phosphatase; HIS12
- EC
- 3.1.3.16
- UniProt
- Q9RL81
- Ligands
- MN, MG
- Pockets
- 1 · best druggability 0.51
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphorylated protein phosphatase (EC 3.1.3.16) | protein | 243 | 34% helix, 27% strand | Q9RL81 |
| X | HIS12 | protein | 3 | 0% helix, 0% strand | — |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 4 copies · chains A, X
- MG · Magnesium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 166 | 0.51 | 0.79 | 25 | empty |
Interfaces
1 interface between chains.
- A–X · 319 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
- 6IHT · Crystal structure of bacterial serine phosphatase bound with phosphorylated peptide · 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 Q9RL81
- Elsewhere: RCSB PDB 6IHT · PDBe 6IHT · UniProt Q9RL81
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