BioLiP

Structure of PDB 1c86 Chain A

Receptor sequence

>1c86A (length=296) Species: 9606 (Homo sapiens) [Search protein sequence]

MEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYVNVSPF
DHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQ
KSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKTY
YTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESG
SLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLD
MRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED

3D structure

PDB

1c86 Structure-based design of a low molecular weight, nonphosphorus, nonpeptide, and highly selective inhibitor of protein-tyrosine phosphatase 1B.

Chain

Resolution

2.3 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	D181 C215 R221 S222 Q262
Catalytic site (residue number reindexed from 1)	D179 C213 R219 S220 Q260
Enzyme Commision number	3.1.3.48: protein-tyrosine-phosphatase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	OPA	A	Y46 N48 K120 D181 F182 C215 S216 A217 I219 G220 R221 Q262	Y44 N46 K118 D179 F180 C213 S214 A215 I217 G218 R219 Q260	MOAD: Ki=20uM PDBbind-CN: -logKd/Ki=4.70,Ki=20uM BindingDB: Ki=71449632607551nM

Gene Ontology

	Molecular Function
GO:0004725	protein tyrosine phosphatase activity

	Biological Process
GO:0006470	protein dephosphorylation
GO:0016311	dephosphorylation

View graph for
Molecular Function

View graph for
Biological Process

PDB	RCSB:1c86, PDBe:1c86, PDBj:1c86
PDBsum	1c86
PubMed	10744717
UniProt	P18031\|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)