Structure of PDB 7h95 Chain D Binding Site BS01

Receptor Information
>7h95 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 ID5MK
InChIInChI=1S/C7H7ClN2O/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H2,10,11)
InChIKeyDNRVZOZGQHHDAT-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC(=O)c1cc(Cl)ccc1N
OpenEye OEToolkits 2.0.4c1cc(c(cc1Cl)C(=O)N)N
FormulaC7 H7 Cl N2 O
Name2-azanyl-5-chloranyl-benzamide
ChEMBLCHEMBL3804877
DrugBank
ZINCZINC000000152576
PDB chain7h95 Chain D Residue 208 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7h95 Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
Resolution1.49 Å
Binding residue
(original residue number in PDB)		D10 I11 V33 Y142 R144
Binding residue
(residue number reindexed from 1)		D9 I10 V32 Y141 R143
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:7h95, PDBe:7h95, PDBj:7h95
PDBsum7h95
PubMed
UniProtQ8JUX6|POLN_CHIKS Polyprotein P1234

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