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MolNFT v1 · #101626 · protein

Structure of a ptp-like phytase from bdellovibrio bacteriovorus

4NX8 · Protein-tyrosine phosphatase 2: “Structure of a ptp-like phytase from bdellovibrio bacteriovorus”. X-ray diffraction, 1 ligand (MG), 6 pockets (best druggability 0.74). MolNFT v1 #101626 on GenesisL1: 3D structure, binding sites and…

PDB
4NX8
Type
protein
Length
520 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein-tyrosine phosphatase 2
EC
3.1.3.48
UniProt
Q6MNP0
Ligands
MG
Pockets
6 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein-tyrosine phosphatase 2 (EC 3.1.3.48)protein26143% helix, 19% strandQ6MNP0
BProtein-tyrosine phosphatase 2 (EC 3.1.3.48)protein25940% helix, 19% strandQ6MNP0

Ligands and binding sites

  • MG · Magnesium ion · metal · 3 copies · chains A, B
  • GOL · Glycerol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14130.740.8451empty
2850.450.8120empty
31430.450.7626empty
4880.380.7719empty
5710.310.7515empty

Interfaces

1 interface between chains.

  • A–B · 678 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 4NX8 · Structure of a PTP-like phytase from Bdellovibrio bacteriovorus · the same entry in another collection · chain A against A, TM-score 1.00

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