Structure of PDB 5i2e Chain A

Receptor sequence

>5i2eA (length=115) Species: 9606 (Homo sapiens) [Search protein sequence]

RPGGDTIFGKIIRKEIPAKIIFEDDRCLAFHDISPQAPTHFLVIPKKHIS
QISVAEDDDESLLGHLMIVGKKCAADLGLNKGYRMVVNEGSDGGQSVYHV
HLHVLGGRQMHWPPG

3D structure

PDB

5i2e Design, Synthesis, and Characterization of Sulfamide and Sulfamate Nucleotidomimetic Inhibitors of hHint1.

Chain

Resolution

1.6 Å

3D
structure

Enzymatic activity

Enzyme Commision number

3.4.22.-
3.9.1.-

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	67D	A	I22 F41 D43 I44 N99 G105 Q106 S107 H112 H114	I11 F30 D32 I33 N88 G94 Q95 S96 H101 H103	MOAD: Kd=0.23uM PDBbind-CN: -logKd/Ki=6.64,Kd=0.23uM

Gene Ontology

	Molecular Function
GO:0000166	nucleotide binding
GO:0003824	catalytic activity
GO:0005080	protein kinase C binding
GO:0005515	protein binding
GO:0008234	cysteine-type peptidase activity
GO:0016787	hydrolase activity
GO:0016929	deSUMOylase activity
GO:0043530	adenosine 5'-monophosphoramidase activity

	Biological Process
GO:0006355	regulation of DNA-templated transcription
GO:0006508	proteolysis
GO:0006915	apoptotic process
GO:0007165	signal transduction
GO:0009154	purine ribonucleotide catabolic process
GO:0016926	protein desumoylation
GO:0050850	positive regulation of calcium-mediated signaling
GO:0072332	intrinsic apoptotic signaling pathway by p53 class mediator

	Cellular Component
GO:0000118	histone deacetylase complex
GO:0005634	nucleus
GO:0005654	nucleoplasm
GO:0005737	cytoplasm
GO:0005829	cytosol
GO:0005856	cytoskeleton
GO:0005886	plasma membrane
GO:0070062	extracellular exosome

External links

PDB	RCSB:5i2e, PDBe:5i2e, PDBj:5i2e
PDBsum	5i2e
PubMed	27563403
UniProt	P49773\|HINT1_HUMAN Adenosine 5'-monophosphoramidase HINT1 (Gene Name=HINT1)