MolNFT v1 · #146568 · protein
Crystal structure of a SHIP1 surface entropy reduction mutant
6DLG · Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1: “Crystal structure of a SHIP1 surface entropy reduction mutant”. X-ray diffraction, 5 pockets (best druggability 0.62). MolNFT v1 #146568 on GenesisL1: 3D structure, binding…
- PDB
- 6DLG
- Type
- protein
- Length
- 421 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1
- EC
- 3.1.3.86
- UniProt
- Q9ES52
- Pockets
- 5 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 1 (EC 3.1.3.86) | protein | 421 | 17% helix, 40% strand | Q9ES52 |
Ligands and binding sites
- IPA · Isopropyl alcohol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 235 | 0.62 | 0.82 | 43 | empty |
| 2 | 84 | 0.45 | 0.81 | 25 | empty |
| 3 | 86 | 0.37 | 0.76 | 19 | empty |
| 4 | 73 | 0.29 | 0.73 | 19 | empty |
| 5 | 52 | 0.27 | 0.74 | 14 | empty |
Compared structures
- 6DLG · Crystal structure of a SHIP1 surface entropy reduction mutant · the same entry in another collection · chain A against A, TM-score 1.00
- Q9ES52 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 3,4,5-trisphosphate… · a predicted model of the same protein · chain A 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 Q9ES52
- Elsewhere: RCSB PDB 6DLG · PDBe 6DLG · UniProt Q9ES52
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