MolNFT v1 · #78292 · protein

Protein tyrosine phosphatase (putative) from leishmania major

3S4O · Protein tyrosine phosphatase-like protein: “Protein tyrosine phosphatase (putative) from leishmania major”. X-ray diffraction, 1 ligand (THJ), 1 pocket (best druggability 0.54). MolNFT v1 #78292 on GenesisL1: 3D structure, binding…

PDB: 3S4O
Type: protein
Length: 326 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein tyrosine phosphatase-like protein
EC: 3.1.3.48
UniProt: Q4QEZ7
Ligands: THJ
Pockets: 1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Protein tyrosine phosphatase-like protein (EC 3.1.3.48)	protein	163	42% helix, 18% strand	Q4QEZ7

Ligands and binding sites

THJ · Thiosulfate · ligand · chains A
EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	218	0.54	0.78	39	empty

Interfaces

1 interface between chains.

A–B · 922 Å² buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 modified, 1 disulfide (engineered, disulfide).

Compared structures

3S4O · Protein Tyrosine Phosphatase (putative) from Leishmania major · the same entry in another collection · chain A against A, TM-score 1.00
Q4QEZ7 · AlphaFold monomer V2.0 prediction for protein tyrosine phosphatase prl-1 (Q4QEZ7) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q4QEZ7
Elsewhere: RCSB PDB 3S4O · PDBe 3S4O · UniProt Q4QEZ7

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