Structure of PDB 1nf2 Chain C Binding Site BS01

Receptor Information
>1nf2 Chain C (length=267) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYRVFVFDLDGTLLNDNLEISEKDRRNIEKLSRKCYVVFASGRMLVSTLN
VEKKYFKRTFPTIAYNGAIVYLPEEGVILNEKIPPEVAKDIIEYIKPLNV
HWQAYIDDVLYSEKDNEEIKSYARHSNVDYRVEPNLSELVSKMGTTKLLL
IDTPERLDELKEILSERFKDVVKVFKSFPTYLEIVPKNVDKGKALRFLRE
RMNWKKEEIVVFGDNENDLFMFEEAGLRVAMENAIEKVKEASDIVTLTNN
DSGVSYVLERISTDCLD
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1nf2 Chain C Residue 880 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nf2 Crystal structure of a phosphatase with a unique substrate binding domain from Thermotoga maritima
Resolution2.2 Å
Binding residue
(original residue number in PDB)		G642 K791 N815 N817
Binding residue
(residue number reindexed from 1)		G42 K191 N215 N217
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005829 cytosol

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:1nf2, PDBe:1nf2, PDBj:1nf2
PDBsum1nf2
PubMed12824492
UniProtQ9WZB9

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