Structure of PDB 6zcl Chain A Binding Site BS01

Receptor Information
>6zcl Chain A (length=269) Species: 103903 (Coxsackievirus B3 (strain Nancy)) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RVADTVGTGPTNSEAIPALTAAETGHTSQVVPGDTMQTRHVKNYHSRSES
TIENFLCRSACVYFTEYKNSGAKRYAEWVLTPRQAAQLRRKLEFFTYVRF
DLELTFVITSTQQPSTTQNQDAQILTHQIMYVPPGGPVPDKVDSYVWQTS
TNPSVFWTEGNAPPRMSIPFLSIGNAYSNFYDGWSEFSRNGVYGINTLNN
MGTLYARHVNAGSTGPIKSTIRIYFKPKHVKAWIPRPPRLCQYEKAKNVN
FQPSGVTTTRQSITTMTNT
Ligand information
Ligand IDFHK
InChIInChI=1S/C21H14N2O6S/c24-19-17-3-1-2-4-18(17)20(25)23(19)15-9-11-16(12-10-15)30(28,29)22-14-7-5-13(6-8-14)21(26)27/h1-12,22H,(H,26,27)
InChIKeyKCHARURJHJMOQX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)S(=O)(=O)Nc4ccc(cc4)C(=O)O
CACTVS 3.385OC(=O)c1ccc(N[S](=O)(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)cc1
FormulaC21 H14 N2 O6 S
Name4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid
ChEMBL
DrugBank
ZINC
PDB chain6zcl Chain C Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6zcl Identification of a conserved virion-stabilizing network inside the interprotomer pocket of enteroviruses.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		F76 E78 R234
Binding residue
(residue number reindexed from 1)		F64 E66 R222
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.48: RNA-directed RNA polymerase.
3.4.22.28: picornain 3C.
3.4.22.29: picornain 2A.
3.6.1.15: nucleoside-triphosphate phosphatase.
External links
PDB RCSB:6zcl, PDBe:6zcl, PDBj:6zcl
PDBsum6zcl
PubMed33637854
UniProtP03313|POLG_CXB3N Genome polyprotein

[Back to BioLiP]