MolNFT v1 · #77140 · protein
The structure of manganese bound thermococcus thioreducens inorganic pyrophosphatase
3R5U · Tt-ippase: “The structure of manganese bound thermococcus thioreducens inorganic pyrophosphatase”. X-ray diffraction, 1 ligand (MN), 5 pockets (best druggability 0.65). MolNFT v1 #77140 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3R5U
- Type
- protein
- Length
- 350 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tt-ippase
- Ligands
- MN
- Pockets
- 5 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 25% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Tt-ippase | protein | 175 | 25% helix, 33% strand | — |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 211 | 0.65 | 0.84 | 27 | empty |
| 2 | 191 | 0.55 | 0.79 | 30 | empty |
| 3 | 99 | 0.47 | 0.81 | 22 | empty |
| 4 | 82 | 0.31 | 0.73 | 21 | empty |
| 5 | 52 | 0.28 | 0.74 | 8 | empty |
Interfaces
1 interface between chains.
- A–B · 412 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3R5U · The structure of manganese bound Thermococcus thioreducens Inorganic pyrophosphatase · 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
- Elsewhere: RCSB PDB 3R5U · PDBe 3R5U
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