MolNFT v1 · #168807 · protein
Crystal structure of inositol polyphosphate 1-phosphatase INPP1 in complex gadolinium and lithium at 2.5 ångström resolution
6WRR: “Crystal structure of inositol polyphosphate 1-phosphatase INPP1 in complex gadolinium and lithium at 2.5…”. X-ray diffraction, 2 ligands (GD, SO4), 4 pockets (best druggability 0.48). MolNFT v1 #168807 on GenesisL1: 3D structure…
- PDB
- 6WRR
- Type
- protein
- Length
- 327 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
- GD, SO4
- Pockets
- 4 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inositol polyphosphate 1-phosphatase (EC 3.1.3.57) | protein | 327 | 38% helix, 24% strand | P21327 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 176 | 0.48 | 0.76 | 26 | GD, SO4 |
| 2 | 89 | 0.37 | 0.76 | 20 | empty |
| 3 | 54 | 0.34 | 0.78 | 12 | empty |
| 4 | 66 | 0.31 | 0.74 | 15 | empty |
Compared structures
- 6WRR · Crystal structure of inositol polyphosphate 1-phosphatase INPP1 in complex gadolinium and… · 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 6WRR · PDBe 6WRR · UniProt P21327
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