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MolNFT v1 · #126272 · protein

Structure of prl-1 in complex with the bateman domain of CNNM2

5LXQ · Protein tyrosine phosphatase type iva 1: “Structure of prl-1 in complex with the bateman domain of CNNM2”. X-ray diffraction, 2 ligands (ATP, ZN), 4 pockets (best druggability 0.65). MolNFT v1 #126272 on GenesisL1: 3D structure…

PDB
5LXQ
Type
protein
Length
602 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein tyrosine phosphatase type iva 1; Metal transporter CNNM2
EC
3.1.3.48
UniProt
Q63739, Q3TWN3
Ligands
ATP, ZN
Pockets
4 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, CProtein tyrosine phosphatase type iva 1 (EC 3.1.3.48)protein15144% helix, 19% strandQ63739
A, HMetal transporter CNNM2protein15039% helix, 27% strandQ3TWN3

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, H
  • ZN · Zinc ion · metal · 2 copies

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15110.650.7642ATP, ZN
22860.610.7931empty
32780.600.7932empty
41490.580.8235empty

Interfaces

3 interfaces between chains.

  • A–H · 1517 Ų buried · 9 hydrogen bonds · protein-protein
  • B–A · 507 Ų buried · 10 hydrogen bonds · protein-protein
  • C–H · 500 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 5LXQ · Structure of PRL-1 in complex with the Bateman domain of CNNM2 · the same entry in another collection · chain B against B, TM-score 1.00
  • Q3TWN3 · AlphaFold monomer V2.0 prediction for metal transporter CNNM2 (Q3TWN3) · a predicted model of the same protein · chain A against A, TM-score 0.97
  • Q63739 · AlphaFold monomer V2.0 prediction for protein tyrosine phosphatase type iva 1 (Q63739) · a predicted model of the same protein · chain B against A, TM-score 0.97

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