Structure of PDB 7h95 Chain B Binding Site BS01

Receptor Information
>7h95 Chain B (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 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 B Residue 206 [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 R144
Binding residue
(residue number reindexed from 1)		D13 I14 V36 R147
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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