Structure of PDB 3cij Chain A Binding Site BS01

Receptor Information
>3cij Chain A (length=291) Species: 2234 (Archaeoglobus fulgidus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKLKVFHAGSLTEPMKAFKRAFEEKHPNVEVQTEAAGSAATIRKVTELGR
KADVIATADYTLIQKMMYPEFANWTIMFAKNQIVLAYRNDSRYADEINSQ
NWYEILKRPDVRFGFSNPNDDPCGYRSLMAIQLAELYYNDPTIFDELVAK
NSNLRFSEDNGSYVLRMPSSERIEINKSKIMIRSMEMELIHLVESGELDY
FFIYKSVAKQHGFNFVELPVEIDLSSPDYAELYSKVKVVLANGKEVTGKP
IVYGITIPKNAENRELAVEFVKLVISEEGQEILRELGQEPL
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 chain3cij Chain A Residue 400 [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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PDB3cij Distorted octahedral coordination of tungstate in a subfamily of specific binding proteins.
Resolution1.07 Å
Binding residue
(original residue number in PDB)		A40 G41 S42 S70 A90 D153 P154 C155 E218 Y236
Binding residue
(residue number reindexed from 1)		A8 G9 S10 S38 A58 D121 P122 C123 E186 Y204
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding
GO:1901359 tungstate binding
Cellular Component
GO:0005886 plasma membrane

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:3cij, PDBe:3cij, PDBj:3cij
PDBsum3cij
PubMed19234723
UniProtO30142|WTPA_ARCFU Molybdate/tungstate-binding protein WtpA (Gene Name=wtpA)

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