Research workbench
Structure of M. tuberculosis cysq, a pap phosphatase with pap, mg, and li bound
Analyse Structure of M. tuberculosis cysq, a pap phosphatase with pap, mg, and li bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5DJG
- Type
- protein
- Length
- 254 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
- A3P, MG, LI
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 37% 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 | 254 | 37% helix, 23% strand | P9WKJ0 |
Ligands and binding sites
- A3P · Adenosine-3'-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · chains A
- LI · Lithium ion · metal · 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 | 202 | 0.56 | 0.80 | 26 | A3P |
| 2 | 50 | 0.34 | 0.78 | 12 | empty |
Compared structures
- 5DJG · Structure of M. tuberculosis CysQ, a PAP phosphatase with PAP, Mg, and Li 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 5DJG · PDBe 5DJG · UniProt P9WKJ0
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