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Crystal structure of the his domain protein tyrosine phosphatase (hd- PTP/PTPN23) BRO1 domain (sara complex structure)

Analyse Crystal structure of the his domain protein tyrosine phosphatase (hd… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5MJY
Type
protein
Length
1,477 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tyrosine-protein phosphatase non-receptor type 23; Zinc finger fyve domain-containing…
EC
3.1.3.48
UniProt
Q9H3S7, O95405
Pockets
19 · best druggability 0.83

Structure

x-ray diffraction · 4 distinct chains · 68% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, DTyrosine-protein phosphatase non-receptor type 23 (EC 3.1.3.48)protein35867% helix, 3% strandQ9H3S7
BTyrosine-protein phosphatase non-receptor type 23 (EC 3.1.3.48)protein36167% helix, 2% strandQ9H3S7
CTyrosine-protein phosphatase non-receptor type 23 (EC 3.1.3.48)protein36068% helix, 3% strandQ9H3S7
E, FZinc finger fyve domain-containing protein 9protein2085% helix, 0% strandO95405

Pockets

19 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18440.830.8596empty
29970.820.83113empty
36240.720.7965empty
41820.490.7628empty
5740.490.8317empty

Interfaces

10 interfaces between chains.

  • B–F · 889 Ų buried · 9 hydrogen bonds · protein-protein
  • C–E · 884 Ų buried · 7 hydrogen bonds · protein-protein
  • A–B · 823 Ų buried · 12 hydrogen bonds · protein-protein
  • C–D · 779 Ų buried · 10 hydrogen bonds · protein-protein
  • A–E · 573 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 5MJY · Crystal structure of the His Domain Protein Tyrosine Phosphatase (HD-PTP/PTPN23) Bro1… · the same entry in another collection · chain F against F, TM-score 1.00
  • Q9H3S7 · AlphaFold monomer V2.0 prediction for tyrosine-protein phosphatase non-receptor type 23… · a predicted model of the same protein · chain B against A, TM-score 0.99
  • O95405 · AlphaFold monomer V2.0 prediction for zinc finger fyve domain- containing protein 9… · a predicted model of the same protein · chain E against A, TM-score 0.49

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