MolNFT v1 · #12210 · protein
The papase HAL2P complexed with magnesium ions and reaction products: AMP and inorganic phosphate
1K9Y · Halotolerance protein HAL2: “The papase HAL2P complexed with magnesium ions and reaction products: AMP and inorganic phosphate”. X-ray diffraction, 3 ligands (AMP, MG, PO4), 2 pockets (best druggability 0.69). MolNFT v1 #12210 on…
- PDB
- 1K9Y
- Type
- protein
- Length
- 354 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Halotolerance protein HAL2
- EC
- 3.1.3.7
- UniProt
- P32179
- Ligands
- AMP, MG, PO4
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Halotolerance protein HAL2 (EC 3.1.3.7) | protein | 354 | 40% helix, 20% strand | P32179 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
- PO4 · Phosphate ion · ion · chains A
- BME · Beta-mercaptoethanol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 291 | 0.69 | 0.84 | 46 | MG, PO4, AMP |
| 2 | 54 | 0.28 | 0.74 | 14 | empty |
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 1K9Y · The PAPase Hal2p complexed with magnesium ions and reaction products: AMP and inorganic… · the same entry in another collection · chain A against A, TM-score 1.00
- P32179 · AlphaFold monomer V2.0 prediction for 3'(2'),5'-bisphosphate nucleotidase (P32179) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P32179
- Elsewhere: RCSB PDB 1K9Y · PDBe 1K9Y · UniProt P32179
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