MolNFT v1 · #179879 · protein
Crystal structure of inositol polyphosphate 1-phosphatase (INPP1) D54A mutant in complex with inositol (1,4)-bisphosphate
7KIR: “Crystal structure of inositol polyphosphate 1-phosphatase (INPP1) D54A mutant in complex with inositol…”. X-ray diffraction, 2 ligands (2IP, CA), 3 pockets (best druggability 0.48). MolNFT v1 #179879 on GenesisL1: 3D structure…
- PDB
- 7KIR
- Type
- protein
- Length
- 326 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inositol polyphosphate 1-phosphatase
- EC
- 3.1.3.57
- UniProt
- P21327
- Ligands
- 2IP, CA
- Pockets
- 3 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inositol polyphosphate 1-phosphatase (EC 3.1.3.57) | protein | 326 | 40% helix, 24% strand | P21327 |
Ligands and binding sites
- 2IP · D-myo-inositol-1,4-bisphosphate · ligand · chains A
- CA · Calcium ion · metal · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 150 | 0.48 | 0.78 | 23 | 2IP, CA |
| 2 | 67 | 0.34 | 0.76 | 15 | empty |
| 3 | 68 | 0.31 | 0.74 | 17 | empty |
Compared structures
- 7KIR · Crystal structure of inositol polyphosphate 1-phosphatase (INPP1) D54A mutant in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- P21327 · AlphaFold monomer V2.0 prediction for inositol polyphosphate 1-phosphatase (P21327) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P21327
- Elsewhere: RCSB PDB 7KIR · PDBe 7KIR · UniProt P21327
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