Structure of PDB 2hcs Chain A Binding Site BS01

Receptor Information

>2hcs Chain A (length=487) Species: 11077 (Kunjin virus)

LVNGVVRLLSKPWDTIDTKAPEPPEGVKYVLNETTNWLWAFLAREKRPRM
CSREEFIRKVNSNAAQWRSAREAVEDPKFWEMVDEEREAHLRGECHTCSR
AIWFMWLGARFLEFEALGFLNEDHWLGRKNSGGGVEGLGLQKLGYILREV
GTRPGGRIYADDTAGWDTRITRADLENEAKVLELLDGEHRRLARAIIELT
YRGSGQVVTYALNTFTNLAVQLVRMMEGEGVIGPDDVEKLTKGKGPKVRT
WLSENGEERLSRMAVSGDDCVVKPLDDRFATSLHFLNAMSKVRKDIQEWK
PSTGWYDWQQVPFCSNHFTELIMKDGRTLVTPCRGQDELVGRARISPNVR
DTACLAKSYAQMWLLLYFHRRDLRLMANAICSAVPVNWVPTGRTTWSIHA
GGEWMTTEDMLEVWNRVWIEENEWMEDKTPVEKWSDVPYSGKREDIWCGS
LIGTRARATWAENIQVAINQVRSIIGDEKYVDYMSSL

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 2hcs Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2hcs Crystal structure of the RNA polymerase domain of the West Nile virus non-structural protein 5
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): E440 H444 C449
• Binding residue (residue number reindexed from 1): E86 H90 C95
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
  2.1.1.57: methyltransferase cap1.
  2.7.7.48: RNA-directed RNA polymerase.
  3.4.21.91: flavivirin.
  3.6.1.15: nucleoside-triphosphate phosphatase.
  3.6.4.13: RNA helicase.

Gene Ontology

Molecular Function

• GO:0003968 RNA-dependent RNA polymerase activity
• GO:0005524 ATP binding

Biological Process

• GO:0039694 viral RNA genome replication

External links

• PDB: RCSB:2hcs, PDBe:2hcs, PDBj:2hcs
• PDBsum: 2hcs
• PubMed: 17287213
• UniProt: P14335|POLG_KUNJM Genome polyprotein