Structure of PDB 3cg3 Chain A Binding Site BS01

Receptor Information
>3cg3 Chain A (length=315) Species: 53953 (Pyrococcus horikoshii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SREARLIIFHAGSLSIPLSQVEEKFTKYAQEKLGVKVTFQDEASGSVKAV
RKVTDLKKRADIVAVADYTLIPQLMIPNYTDFYVLFATNEIVIAFTNKSK
YADEMLKNPDKWYEILSRPDVSFGFSDPNQDPCGYRSVMVMKLAELYYGR
PIFKELVEKTTNIYSNGTRIYAPKEIIIKDKRVIMRPKETDLVGLVESGS
LDYIFIYKSVAKQHHLSYITLPDDINLGDFNKADFYGRVSITLGSTGKTI
KAKPIVYGITVLKNAPNRELAIEFLRFLLGNEGRKIFEDNYQEFLSPPVA
FGNVPPEIRRLVEVK
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 chain3cg3 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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PDB3cg3 Distorted octahedral coordination of tungstate in a subfamily of specific binding proteins.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		A35 G36 S37 G69 S70 A90 D155 P156 C157 E213 Y231
Binding residue
(residue number reindexed from 1)		A11 G12 S13 G45 S46 A66 D131 P132 C133 E189 Y207
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
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Cellular Component
External links
PDB RCSB:3cg3, PDBe:3cg3, PDBj:3cg3
PDBsum3cg3
PubMed19234723
UniProtO57890|WTPA_PYRHO Molybdate/tungstate-binding protein WtpA (Gene Name=wtpA)

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