MolNFT v1 · #116628 · protein
Structure of M. tuberculosis cysq, a pap phosphatase with PO4 and 2MG bound
5DJJ · 3'-phosphoadenosine 5'-phosphate phosphatase: “Structure of M. tuberculosis cysq, a pap phosphatase with PO4 and 2MG bound”. X-ray diffraction, 3 ligands (MG, NA, PO4), 2 pockets (best druggability 0.44). MolNFT v1 #116628 on…
- PDB
- 5DJJ
- Type
- protein
- Length
- 257 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
- MG, NA, PO4
- Pockets
- 2 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 25% 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 | 257 | 39% helix, 25% strand | P9WKJ0 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A
- NA · Sodium ion · metal · chains A
- PO4 · Phosphate ion · ion · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 166 | 0.44 | 0.75 | 23 | MG, PO4 |
| 2 | 61 | 0.31 | 0.75 | 19 | empty |
Compared structures
- 5DJJ · Structure of M. tuberculosis CysQ, a PAP phosphatase with 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 0.96
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 5DJJ · PDBe 5DJJ · UniProt P9WKJ0
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