Structure of PDB 4bjo Chain B Binding Site BS01

Receptor Information
>4bjo Chain B (length=286) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYFQGSEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRN
RYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGH
FWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTL
ISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNF
LFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSV
DIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKF
Ligand information
Ligand IDNO3
InChIInChI=1S/NO3/c2-1(3)4/q-1
InChIKeyNHNBFGGVMKEFGY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-][N+]([O-])=O
OpenEye OEToolkits 1.5.0[N+](=O)([O-])[O-]
FormulaN O3
NameNITRATE ION
ChEMBLCHEMBL186200
DrugBankDB14049
ZINC
PDB chain4bjo Chain B Residue 1283 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bjo Nitrate in the Active Site of Protein Tyrosine Phosphatase 1B is a Putative Mimetic of the Transition State.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		C215 S216 A217 I219 G220 R221
Binding residue
(residue number reindexed from 1)		C221 S222 A223 I225 G226 R227
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D181 C215 R221 S222 Q262
Catalytic site (residue number reindexed from 1) D187 C221 R227 S228 Q268
Enzyme Commision number 3.1.3.48: protein-tyrosine-phosphatase.
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
External links
PDB RCSB:4bjo, PDBe:4bjo, PDBj:4bjo
PDBsum4bjo
PubMed24531490
UniProtP18031|PTN1_HUMAN Tyrosine-protein phosphatase non-receptor type 1 (Gene Name=PTPN1)

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