Structure of PDB 4pie Chain A

Receptor sequence

>4pieA (length=202) Species: 10515 (Human adenovirus 2) [Search protein sequence]

GSSEQELKAIVKDLGCGPYFLGTYDKRFPGFVSPHKLACAIVNTAGRETG
GVHWMAFAWNPRSKTCYLFEPFGFSDQRLKQVYQFEYESLLRRSAIASSP
DRCITLEKSTQSVQGPNSAACGLFCCMFLHAFANWPQTPMDHNPTMNLIT
GVPNSMLNSPQVQPTLRRNQEQLYSFLERHSPYFRSHSAQIRSATSFCHL
KN

3D structure

PDB

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

Chain

Resolution

1.94 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 E71 Q115 C122
Catalytic site (residue number reindexed from 1)	H53 E70 Q114 C121
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	E89 R93 A96 R103 C104 I105 T106 L107 E108 K109 S110 T111 Q112 M141 D142 M147 I150	E88 R92 A95 R102 C103 I104 T105 L106 E107 K108 S109 T110 Q111 M140 D141 M146 I149
BS02	3FO	A	G2 S3 S4 E5 D26 N44 A46 G47 R48 G51 G52 V53 W55 A120 C122	G1 S2 S3 E4 D25 N43 A45 G46 R47 G50 G51 V52 W54 A119 C121

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:4pie, PDBe:4pie, PDBj:4pie
PDBsum	4pie
PubMed	25147618
UniProt	P03252\|PRO_ADE02 Protease (Gene Name=L3)

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