Structure of PDB 7h8v Chain C Binding Site BS01

Receptor Information
>7h8v Chain C (length=163) Species: 37124 (Chikungunya virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GAMAPSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKN
SATPVGTAKTVMCGTYPVIHAVGPNFSNYTESEGDRELAAAYREVAKEVT
RLGVNSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKE
WEKKISEAIQMRT
Ligand information
Ligand IDLAZ
InChIInChI=1S/C9H10ClNO2/c10-8-3-1-7(2-4-8)9(13)11-5-6-12/h1-4,12H,5-6H2,(H,11,13)
InChIKeyGBARCMIFTACERW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C(=O)NCCO)Cl
ACDLabs 10.04O=C(c1ccc(Cl)cc1)NCCO
CACTVS 3.341OCCNC(=O)c1ccc(Cl)cc1
FormulaC9 H10 Cl N O2
NameN-(2-AMINOETHYL)-P-CHLOROBENZAMIDE;
4-CHLORO-N-(2-HYDROXYETHYL)BENZAMIDE
ChEMBLCHEMBL1233960
DrugBankDB08082
ZINCZINC000001665476
PDB chain7h8v Chain C Residue 204 [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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PDB7h8v Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.38 Å
Binding residue
(original residue number in PDB)		G112 G117 K118 W148
Binding residue
(residue number reindexed from 1)		G115 G120 K121 W151
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:7h8v, PDBe:7h8v, PDBj:7h8v
PDBsum7h8v
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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