Structure of PDB 7h71 Chain D Binding Site BS01

Receptor Information
>7h71 Chain D (length=159) Species: 37124 (Chikungunya virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKNSATP
VGTAKTVMCGTYPVIHAVGPNFSNYTESEGDRELAAAYREVAKEVTRLGV
NSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKEWEKK
ISEAIQMRT
Ligand information
Ligand IDWZ7
InChIInChI=1S/C11H13N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H2,12,15)(H,13,14)
InChIKeyNDEZMUYBKJXUGJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cnc(cc1C(=O)N)NC2CC=CC2
ACDLabs 12.01c2cnc(NC1CC=CC1)cc2C(=O)N
CACTVS 3.385NC(=O)c1ccnc(NC2CC=CC2)c1
FormulaC11 H13 N3 O
Name2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide
ChEMBL
DrugBank
ZINCZINC000095413916
PDB chain7h71 Chain D Residue 207 [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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PDB7h71 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.32 Å
Binding residue
(original residue number in PDB)		T111 S115 C143 D145 W148
Binding residue
(residue number reindexed from 1)		T110 S114 C142 D144 W147
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.-
2.7.7.-
2.7.7.19: polynucleotide adenylyltransferase.
2.7.7.48: RNA-directed RNA polymerase.
3.1.3.84: ADP-ribose 1''-phosphate phosphatase.
3.4.22.-
3.6.1.15: nucleoside-triphosphate phosphatase.
3.6.1.74: mRNA 5'-phosphatase.
3.6.4.13: RNA helicase.
External links
PDB RCSB:7h71, PDBe:7h71, PDBj:7h71
PDBsum7h71
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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