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Crystal structure of prl-3 phosphatase in complex with the bateman domain of CNNM3 magnesium transporter

Analyse Crystal structure of prl-3 phosphatase in complex with the bateman domain of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5TSR
Type
protein
Length
605 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein tyrosine phosphatase type iva 3; Metal transporter CNNM3
EC
3.1.3.48
UniProt
O75365, Q8NE01
Pockets
4 · best druggability 0.65

Structure

x-ray diffraction · 4 distinct chains · 38% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein tyrosine phosphatase type iva 3 (EC 3.1.3.48)protein15538% helix, 16% strandO75365
BMetal transporter CNNM3protein14936% helix, 27% strandQ8NE01
CProtein tyrosine phosphatase type iva 3 (EC 3.1.3.48)protein15442% helix, 17% strandO75365
DMetal transporter CNNM3protein14736% helix, 27% strandQ8NE01

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15680.650.7657empty
23670.620.7844empty
31080.590.8520empty
42770.510.7432empty

Interfaces

3 interfaces between chains.

  • B–D · 1254 Ų buried · 4 hydrogen bonds · protein-protein
  • C–D · 771 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 656 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 5TSR · Crystal structure of PRL-3 phosphatase in complex with the Bateman domain of CNNM3… · the same entry in another collection · chain D against D, TM-score 1.00
  • O75365 · AlphaFold monomer V2.0 prediction for protein tyrosine phosphatase type iva 3 (O75365) · a predicted model of the same protein · chain C against A, TM-score 0.97
  • Q8NE01 · AlphaFold monomer V2.0 prediction for metal transporter CNNM3 (Q8NE01) · a predicted model of the same protein · chain D against A, TM-score 0.92

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