Structure of PDB 1j9k Chain B Binding Site BS01

Receptor Information

>1j9k Chain B (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 ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

1j9k Chain B Residue 1301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1j9k Crystal structure and functional analysis of the SurE protein identify a novel phosphatase family.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	D8 D9 S39 N95
Binding residue (residue number reindexed from 1)	D8 D9 S39 N95
Annotation score	1

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

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Molecular Function

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Cellular Component

External links

PDB	RCSB:1j9k, PDBe:1j9k, PDBj:1j9k
PDBsum	1j9k
PubMed	11524683
UniProt	P96112\|SURE_THEMA 5'-nucleotidase SurE (Gene Name=surE)

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