Structure of PDB 7gqa Chain B Binding Site BS01

Receptor Information
>7gqa Chain B (length=180) Species: 42789 (enterovirus D68) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPGFDFAQAIMKKNTVIARTEKGEFTMLGVYDRVAVIPTHASVGEIIYIN
DVETRVLDACALRDLTDTNLEITIVKLDRNQKFRDIRHFLPRCEDDYNDA
VLSVHTSKFPNMYIPVGQVTNYGFLNLGGTPTHRILMYNFPTRAGQCGGV
VTTTGKVIGIHVGGNGAQGFAAMLLHSYFT
Ligand information
Ligand IDT1U
InChIInChI=1S/C9H10N2O/c1-11-8-5-3-2-4-7(8)10-9(11)6-12/h2-5,12H,6H2,1H3
InChIKeySQRSIOZFPSFABI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cn1c(CO)nc2ccccc12
ACDLabs 12.01OCc1nc2ccccc2n1C
OpenEye OEToolkits 2.0.7Cn1c2ccccc2nc1CO
FormulaC9 H10 N2 O
Name(1-methyl-1H-benzimidazol-2-yl)methanol
ChEMBL
DrugBank
ZINCZINC000000305703
PDB chain7gqa Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7gqa PanDDA analysis group deposition
Resolution1.66 Å
Binding residue
(original residue number in PDB)		T20 E21 I46 Y48
Binding residue
(residue number reindexed from 1)		T20 E21 I46 Y48
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.
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:7gqa, PDBe:7gqa, PDBj:7gqa
PDBsum7gqa
PubMed
UniProtQ68T42|POLG_HED68 Genome polyprotein

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