MolNFT v1 · #116627 · protein
Structure of M. tuberculosis cysq, a pap phosphatase with AMP, PO4, and 2MG bound
5DJI · 3'-phosphoadenosine 5'-phosphate phosphatase: “Structure of M. tuberculosis cysq, a pap phosphatase with AMP, PO4, and 2MG bound”. X-ray diffraction, 3 ligands (AMP, MG, PO4), 1 pocket (best druggability 0.55). MolNFT v1 #116627 on…
- PDB
- 5DJI
- Type
- protein
- Length
- 252 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3'-phosphoadenosine 5'-phosphate phosphatase
- EC
- 3.1.3.7, 3.1.3.11, 3.1.3.25
- UniProt
- P9WKJ0
- Ligands
- AMP, MG, PO4
- Pockets
- 1 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3'-phosphoadenosine 5'-phosphate phosphatase (EC 3.1.3.7, 3.1.3.11, 3.1.3.25) | protein | 252 | 38% helix, 23% strand | P9WKJ0 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- PO4 · Phosphate ion · ion · 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 | 180 | 0.55 | 0.80 | 26 | AMP, PO4 |
Compared structures
- 5DJI · Structure of M. tuberculosis CysQ, a PAP phosphatase with AMP, PO4, and 2Mg bound · the same entry in another collection · chain A against A, TM-score 1.00
- P9WKJ0 · AlphaFold monomer V2.0 prediction for 3'-phosphoadenosine 5'-phosphate phosphatase… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P9WKJ0
- Elsewhere: RCSB PDB 5DJI · PDBe 5DJI · UniProt P9WKJ0
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