MolNFT v1 · #29566 · protein

Native structure prl-1 (PTP4A1)

1ZCK · Protein tyrosine phosphatase 4A1: “Native structure prl-1 (PTP4A1)”. X-ray diffraction, 2 pockets (best druggability 0.68). MolNFT v1 #29566 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1ZCK
Type: protein
Length: 454 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein tyrosine phosphatase 4A1
UniProt: Q78EG7
Pockets: 2 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein tyrosine phosphatase 4A1	protein	150	41% helix, 16% strand	Q78EG7
B, C	Protein tyrosine phosphatase 4A1	protein	152	40% helix, 15% strand	Q78EG7

Ligands and binding sites

ACY · Acetic acid · additive · 3 copies · chains A, B, C

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	332	0.68	0.82	35	ACY
2	66	0.27	0.72	13	empty

Interfaces

3 interfaces between chains.

A–B · 639 Å² buried · 14 hydrogen bonds · protein-protein
B–C · 634 Å² buried · 9 hydrogen bonds · protein-protein
A–C · 632 Å² buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 modified, 3 disulfide (engineered, disulfide).

Compared structures

1ZCK · native structure prl-1 (ptp4a1) · the same entry in another collection · chain A against A, TM-score 1.00
Q78EG7 · AlphaFold monomer V2.0 prediction for protein tyrosine phosphatase type iva 1 (Q78EG7) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 Q78EG7
Elsewhere: RCSB PDB 1ZCK · PDBe 1ZCK · UniProt Q78EG7

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