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Miras phasing of the aquifex aeolicus PPX/GPPA phosphatase: crystal structure of the type II variant
Analyse Miras phasing of the aquifex aeolicus PPX/GPPA phosphatase: crystal structure… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1T6D
- Type
- protein
- Length
- 603 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Exopolyphosphatase
- EC
- 3.6.1.11, 3.6.1.40
- UniProt
- O67040
- Ligands
- CL
- Pockets
- 2 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Exopolyphosphatase (EC 3.6.1.11, 3.6.1.40) | protein | 303 | 48% helix, 24% strand | O67040 |
| B | Exopolyphosphatase (EC 3.6.1.11, 3.6.1.40) | protein | 300 | 46% helix, 24% strand | O67040 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 747 | 0.71 | 0.77 | 62 | TRS |
| 2 | 487 | 0.62 | 0.76 | 52 | CL |
Modifications
Observed in the structure: 10 modified (engineered, oxidation).
Compared structures
- 1T6D · MIRAS phasing of the Aquifex aeolicus Ppx/GppA phosphatase: crystal structure of the type… · 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 O67040
- Elsewhere: RCSB PDB 1T6D · PDBe 1T6D · UniProt O67040
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