Structure of PDB 2a4o Chain A Binding Site BS03

Receptor Information
>2a4o Chain A (length=212) Species: 12100 (Human hepatitis A virus Hu/Northern Africa/MBB/1978) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STLEIAGLVRKNLVQFGVGEKNGSVRWVMNALGVKDDWLLVPSHAYKFEK
DYEMMEFYFNRGGTYYSISAGNVVIQSLDVGFQDVVLMKVPTIPKFRDIT
QHFIKKGDVPRALNRLATLVTTVNGTPMLISEGPLKMEEKATYVHKKNDG
TTVDLTVDQAWRGKGEGLPGMCGGALVSSNQSIQNAILGIHVAGGNSILV
AKLVTQEMFQNI
Ligand information
Ligand IDNFA
InChIInChI=1S/C9H12N2O/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H2,11,12)/t8-/m0/s1
InChIKeyOBSIQMZKFXFYLV-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccccc1)C(N)=O
CACTVS 3.341N[C@@H](Cc1ccccc1)C(N)=O
ACDLabs 10.04O=C(N)C(N)Cc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)N)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)N)N
FormulaC9 H12 N2 O
NamePHENYLALANINE AMIDE
ChEMBLCHEMBL350320
DrugBankDB04029
ZINCZINC000016051972
PDB chain2a4o Chain A Residue 308 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2a4o Dual Modes of Modification of Hepatitis A Virus 3C Protease by a Serine-derived beta-Lactone: Selective Crystallization and Formation of a Functional Catalytic Triad in the Active Site
Resolution1.55 Å
Binding residue
(original residue number in PDB)		V28 N124 P169 G170
Binding residue
(residue number reindexed from 1)		V28 N124 P169 G170
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.22.28: picornain 3C.
3.6.1.15: nucleoside-triphosphate phosphatase.
Gene Ontology
Molecular Function
GO:0004197 cysteine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:2a4o, PDBe:2a4o, PDBj:2a4o
PDBsum2a4o
PubMed16288920
UniProtP13901|POLG_HAVMB Genome polyprotein

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