MolNFT v1 · #154957 · protein

Crystal structure of ATPTP1 at 1.7 ångström

6KRX · Protein-tyrosine-phosphatase PTP1: “Crystal structure of ATPTP1 at 1.7 ångström”. X-ray diffraction, 1 ligand (IOD), 2 pockets (best druggability 0.51). MolNFT v1 #154957 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6KRX
Type: protein
Length: 302 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Protein-tyrosine-phosphatase PTP1
EC: 3.1.3.48
UniProt: O82656
Ligands: IOD
Pockets: 2 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Protein-tyrosine-phosphatase PTP1 (EC 3.1.3.48)	protein	302	38% helix, 18% strand	O82656

Ligands and binding sites

IOD · Iodide ion · ion · 2 copies · chains A
FLC · Citrate anion · additive · chains A

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	143	0.51	0.79	27	IOD, FLC
2	65	0.34	0.76	14	empty

Compared structures

6KRX · Crystal Structure of AtPTP1 at 1.7 angstrom · the same entry in another collection · chain A against A, TM-score 1.00
O82656 · AlphaFold monomer V2.0 prediction for protein-tyrosine-phosphatase PTP1 (O82656) · 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 O82656
Elsewhere: RCSB PDB 6KRX · PDBe 6KRX · UniProt O82656

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