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MolNFT v1 · #164246 · protein

Crystal structure of human SHIP2 catalytic domain

6SRR · Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2: “Crystal structure of human SHIP2 catalytic domain”. X-ray diffraction, 7 pockets (best druggability 0.53). MolNFT v1 #164246 on GenesisL1: 3D structure, binding sites and…

PDB
6SRR
Type
protein
Length
600 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2
EC
3.1.3.86
UniProt
O15357
Pockets
7 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BPhosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 (EC 3.1.3.86)protein31121% helix, 33% strandO15357
APhosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2 (EC 3.1.3.86)protein28921% helix, 35% strandO15357

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1830.530.8418empty
2770.530.8519empty
3880.480.8220empty
42260.440.7339empty
5720.330.7617empty

Interfaces

1 interface between chains.

  • B–A · 511 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 6SRR · Crystal structure of human SHIP2 catalytic domain · the same entry in another collection · chain B against B, TM-score 1.00
  • O15357 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 3,4,5-trisphosphate… · a predicted model of the same protein · chain A against A, TM-score 0.99

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