MolNFT v1 · #33125 · protein
Crystal structure of human inosine triphosphatase
2CAR · Inosine triphosphate pyrophosphatase: “Crystal structure of human inosine triphosphatase”. X-ray diffraction, 4 pockets (best druggability 0.62). MolNFT v1 #33125 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2CAR
- Type
- protein
- Length
- 390 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inosine triphosphate pyrophosphatase
- EC
- 3.6.1.19
- UniProt
- Q9BY32
- Pockets
- 4 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inosine triphosphate pyrophosphatase (EC 3.6.1.19) | protein | 196 | 37% helix, 24% strand | Q9BY32 |
| B | Inosine triphosphate pyrophosphatase (EC 3.6.1.19) | protein | 194 | 37% helix, 25% strand | Q9BY32 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 484 | 0.62 | 0.76 | 50 | empty |
| 2 | 388 | 0.59 | 0.76 | 48 | empty |
| 3 | 69 | 0.42 | 0.80 | 13 | empty |
| 4 | 62 | 0.41 | 0.81 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1147 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
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 Q9BY32
- Elsewhere: RCSB PDB 2CAR · PDBe 2CAR · UniProt Q9BY32
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