Research workbench
X-ray crystal structure of inorganic pyrophosphate ppa from mycobacterium leprae
Analyse X-ray crystal structure of inorganic pyrophosphate ppa from mycobacterium leprae in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4ECP
- Type
- protein
- Length
- 322 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inorganic pyrophosphatase
- EC
- 3.6.1.1
- UniProt
- O69540
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 22% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inorganic pyrophosphatase (EC 3.6.1.1) | protein | 160 | 22% helix, 38% strand | O69540 |
| B | Inorganic pyrophosphatase (EC 3.6.1.1) | protein | 162 | 22% helix, 37% strand | O69540 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
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 | 222 | 0.57 | 0.79 | 36 | EDO |
| 2 | 181 | 0.54 | 0.79 | 31 | EDO |
Interfaces
1 interface between chains.
- A–B · 560 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4ECP · X-ray crystal structure of Inorganic Pyrophosphate PPA from Mycobacterium leprae · the same entry in another collection · chain A against A, TM-score 1.00
- O69540 · AlphaFold monomer V2.0 prediction for inorganic pyrophosphatase (O69540) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 O69540
- Elsewhere: RCSB PDB 4ECP · PDBe 4ECP · UniProt O69540
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