Structure of PDB 3igc Chain A Binding Site BS04

Receptor Information
>3igc Chain A (length=313) Species: 10255 (Variola virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRALFYKDGKLFTDNNFLNPVSDNNPAYEVLQHVKIPTHLTDVVVYGQTW
EEALTRLIFVGSDSKGRRQYFYGKMHVQNRNAKRDRIFVRVYNVMKRINS
FINKNIKKSSTDSNYQLAVFMLMETMFFIRFGKMKYLKENETVGLLTLKN
KHIEISPDKIVIKFVGKDKVSHEFVVHKSNRLYKPLLKLTDDSSPEEFLF
NKLSERKVYESIKQFGIRIKDLRTYGVNYTFLYNFWTNVKSISPLPSPKK
LIALTIKQTAEVVGHTPSISKRAYMATTILEMVKDKNFLDVVSKTTFDEF
LSIVVDHVKSSTD
Ligand information
Ligand IDVO4
InChIInChI=1S/4O.V/q;3*-1;
InChIKeyLSGOVYNHVSXFFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-][V]([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-][V](=O)([O-])[O-]
FormulaO4 V
NameVANADATE ION
ChEMBL
DrugBank
ZINC
PDB chain3igc Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3igc Insights from the Structure of a Smallpox Virus Topoisomerase-DNA Transition State Mimic.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R130 R223 Y274
Binding residue
(residue number reindexed from 1)		R130 R223 Y274
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R130 K167 R223 H265 Y274
Catalytic site (residue number reindexed from 1) R130 K167 R223 H265 Y274
Enzyme Commision number 5.6.2.1: DNA topoisomerase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003916 DNA topoisomerase activity
GO:0003917 DNA topoisomerase type I (single strand cut, ATP-independent) activity
Biological Process
GO:0006265 DNA topological change
Cellular Component
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:3igc, PDBe:3igc, PDBj:3igc
PDBsum3igc
PubMed20152159
UniProtP32989|TOP1_VAR67 DNA topoisomerase 1 (Gene Name=OPG111)

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