Structure of PDB 4mtp Chain A Binding Site BS01

Receptor Information
>4mtp Chain A (length=591) Species: 11072 (Japanese encephalitis virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QEKIKKRIQKLKEEFATTWHKDPEHPYRTWTYHGSYEVKATGLVNGVVKL
MSKPWDAIANVTTMAMTDTTPFGQQRVFKEKVDTKAPEPPAGVREVLNET
TNWLWAHLSREKRPRLCTKEEFIKKVNAREAVNDPRFWEMVDEERENHLR
GECHTCIYNMMGKREKKPGEFGKAKGSRAIWFMWLGARYLEFEALGFLNE
DHWLSRENSGGGVEGSGVQKLGYILRDIAGKQGGKMYADDTAGWDTRITR
TDLENEAKVLELLDGEHRMLARAIIELTYRHKVVKVMRPAAEGKTVMDVI
SREDQRGSGQVVTYALNTFTNIAVQLVRLMEAEGVIGPQHLEQLPRKNKI
AVRTWLFENGEERVTRMAISGDDCVVKPLDDRFATALHFLNAMSKVRKDI
QEWKPSHGWHDWQQVPFCSNHFQEIVMKDGRSIVVPCRGQDELIGRARIS
PGANVKDTACLAKAYAQMWLLLYFHRRDLRLMANAICSAVPVDWVPTGRT
SWSIHSKGEWMTTEDMLQVWNRVWIEENEWMMDKTPIASWTDVPYVGKRE
DIWCGSLIGTRSRATWAENIYAAINQVRAVIGKENYVDYMT
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain4mtp Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mtp RNA-dependent RNA polymerase of Japanese encephalitis virus binds the initiator nucleotide GTP to form a mechanistically important pre-initiation state.
Resolution3.65 Å
Binding residue
(original residue number in PDB)		E440 H444 C449 C452
Binding residue
(residue number reindexed from 1)		E144 H148 C153 C156
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
2.1.1.57: methyltransferase cap1.
2.7.7.48: RNA-directed RNA polymerase.
3.4.21.91: flavivirin.
3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0003968 RNA-dependent RNA polymerase activity
GO:0005524 ATP binding
Biological Process
GO:0039694 viral RNA genome replication

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Molecular Function
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Biological Process
External links
PDB RCSB:4mtp, PDBe:4mtp, PDBj:4mtp
PDBsum4mtp
PubMed24293643
UniProtP27395|POLG_JAEV1 Genome polyprotein

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