Structure of PDB 4piq Chain A

Receptor sequence

>4piqA (length=204) Species: 31545 (Human adenovirus D8) [Search protein sequence]

SGSSEQELAAIVRDLGCGPYFLGTHDKRFPGFLAGNKLACAIVNTAGRET
GGVHWLAFGWNPRSRTCYMFDPFGFSDRRLKQIYSFEYEAMLRRSALALS
PDRCLSLEQSTQTVQGPDSAACGLFCCMFLHAFVHWPDRPMDGNPTMNLL
TGVPNGMLQSPQVLPTLRRNQEKLYRFLAHHSPYFRSHRAAIEHATAFDK
MKQL

3D structure

PDB

4piq Discovery and structure-based optimization of adenain inhibitors.

Chain

Resolution

2.07 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	H54 D71 Q115 C122
Catalytic site (residue number reindexed from 1)	H54 D71 Q115 C122
Enzyme Commision number	3.4.22.39: adenain.

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	peptide	A	T66 E89 L92 R93 R103 C104 L105 S106 L107 E108 Q109 S110 T111 Q112 M141 D142 M147 G152	T66 E89 L92 R93 R103 C104 L105 S106 L107 E108 Q109 S110 T111 Q112 M141 D142 M147 G152
BS02	3FS	A	S3 S4 E5 T24 H25 D26 N44 A46 G47 R48 G51 G52 V53 W55 A120 C122	S3 S4 E5 T24 H25 D26 N44 A46 G47 R48 G51 G52 V53 W55 A120 C122	PDBbind-CN: -logKd/Ki=7.10,IC50=0.08uM

Gene Ontology

	Molecular Function
GO:0003677	DNA binding
GO:0004197	cysteine-type endopeptidase activity
GO:0008234	cysteine-type peptidase activity

	Biological Process
GO:0006508	proteolysis

	Cellular Component
GO:0042025	host cell nucleus
GO:0044423	virion component

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Molecular Function

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Biological Process

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Cellular Component

External links

PDB	RCSB:4piq, PDBe:4piq, PDBj:4piq
PDBsum	4piq
PubMed	25147618
UniProt	B9A5C1

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