Structure of PDB 5wwp Chain B Binding Site BS03

Receptor Information
>5wwp Chain B (length=591) Species: 1235996 (Human betacoronavirus 2c EMC/2012) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAVGSCVVCHSQTSLRCGTCIRRPFLCCKCCYDHVIATPHKMVLSVSPYV
CNAPGCGVSDVTKLYLGGMSYFCVDHRPVCSFPLCANGLVFGLYKNMCTG
SPSIVEFNRLATCDWTESGDYTLANTTTEPLKLFAAETLRATEEASKQSY
AIATIKEIVGERQLLLVWEAGKSKPPLNRNYVFTGYKVQLGEYIFERIDY
SDAVSYKSSTTYKLTVGDIFVLTSHSVATLTAPTIVNQERYVKITGLYPT
ITVPEEFASHVANFQKSGYSKYVTVQGPPGTGKSHFAIGLAIYYPTARVV
YTACSHAAVDALCEKAFKYLNIAKCSRIIPAKARVECYDRFKVNETNSQY
LFSTINALPETSADILVVDEVSMCTNYDLSIINARIKAKHIVYVGDPAQL
PAPRTLLTRGTLEPENFNSVTRLMCNLGPDIFLSMCYRCPKEIVSTVSAL
VYNNKLLAKKELSGQCFKILYKGNVTHDASSAINRPQLTFVKNFITANPA
WSKAVFISPYNSQNAVSRSMLGLTTQTVDSSQGSEYQYVIFCQTADTAHA
NNINRFNVAITRAQKGILCVMTSQALFESLEFTELSFTNYK
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 chain5wwp Chain B Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5wwp Crystal structure of Middle East respiratory syndrome coronavirus helicase
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C50 C55 C72 H75
Binding residue
(residue number reindexed from 1)		C51 C56 C73 H76
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.57: methyltransferase cap1.
3.4.19.12: ubiquitinyl hydrolase 1.
3.6.4.12: DNA helicase.
3.6.4.13: RNA helicase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008270 zinc ion binding

View graph for
Molecular Function
External links
PDB RCSB:5wwp, PDBe:5wwp, PDBj:5wwp
PDBsum5wwp
PubMed28651017
UniProtK0BWD0

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