Structure of PDB 1j9l Chain A Binding Site BS03

Receptor Information
>1j9l Chain A (length=247) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRILVTNDDGIQSKGIIVLAELLSEEHEVFVVAPDKERSATGHSITIHVP
LWMKKVFISERVVAYSTTGTPADCVKLAYNVVMDKRVDLIVSGVNRGPNM
GMDILHSGTVSGAMEGAMMNIPSIAISSANYESPDFEGAARFLIDFLKEF
DFSLLDPFTMLNINVPAGEIKGWRFTRQSRRRWNDYFEERVSPFGEKYYW
MMGEVIEDDDRDDVDYKAVREGYVSITPIHPFLTNEQCLKKLREVYD
Ligand information
Ligand IDVO4
InChIInChI=1S/4O.V/q;3*-1;
InChIKeyLSGOVYNHVSXFFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-][V]([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-][V](=O)([O-])[O-]
FormulaO4 V
NameVANADATE ION
ChEMBL
DrugBank
ZINC
PDB chain1j9l Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1j9l Crystal structure and functional analysis of the SurE protein identify a novel phosphatase family.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D8 S39 N95 N99 S107 G108 T109
Binding residue
(residue number reindexed from 1)		D8 S39 N95 N99 S107 G108 T109
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.3.5: 5'-nucleotidase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0004309 exopolyphosphatase activity
GO:0008252 nucleotidase activity
GO:0008253 5'-nucleotidase activity
GO:0008254 3'-nucleotidase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0106411 XMP 5'-nucleosidase activity
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:1j9l, PDBe:1j9l, PDBj:1j9l
PDBsum1j9l
PubMed11524683
UniProtP96112|SURE_THEMA 5'-nucleotidase SurE (Gene Name=surE)

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