Structure of PDB 3cfz Chain A Binding Site BS01

Receptor Information
>3cfz Chain A (length=289) Species: 2190 (Methanocaldococcus jannaschii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KIVLKIFHAGSLSVPFEEYEKMFEKEHPNVDVEREPAGSVACVRKIIDLG
KKADILASADYSLIPQMMMPKYADWYVMFARNEIVLAYTDKSKYKDEINS
TNWYKILQRPDVKIGFSNPNDDPCGYRTQMVLQLAELYYKDPTIYDNLVL
KHSNIKVEENNGTYLILVPKELDVDTNKLFVRSKETDLLAPLEAGAFDYL
FIYKSVANQHHLKYIELPKEINLGYYEYADTYKKVALKIIAKNKTINAKP
IVYGMTVPTNAPHKKEAIEFVKFVLGHPEVLENNGQPAI
Ligand information
Ligand IDWO4
InChIInChI=1S/4O.W/q;;2*-1;
InChIKeyPBYZMCDFOULPGH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-][W](=O)(=O)[O-]
ACDLabs 10.04
CACTVS 3.341		[O-][W]([O-])(=O)=O
FormulaO4 W
NameTUNGSTATE(VI)ION
ChEMBL
DrugBank
ZINC
PDB chain3cfz Chain A Residue 701 [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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PDB3cfz Distorted octahedral coordination of tungstate in a subfamily of specific binding proteins.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		A45 G46 S47 G74 S75 A95 D158 P159 C160 E221 Y239
Binding residue
(residue number reindexed from 1)		A9 G10 S11 G38 S39 A59 D122 P123 C124 E185 Y203
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:1901359 tungstate binding

View graph for
Molecular Function
External links
PDB RCSB:3cfz, PDBe:3cfz, PDBj:3cfz
PDBsum3cfz
PubMed19234723
UniProtQ58586|WTPA_METJA Molybdate/tungstate-binding protein WtpA (Gene Name=wtpA)

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