Structure of PDB 3p96 Chain A Binding Site BS01

Receptor Information
>3p96 Chain A (length=396) Species: 243243 (Mycobacterium avium 104) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKVSVLITVTGVDQPGVTATLFEVLSRHGVELLNVEQVVIRHRLTLGVLV
CCPADVADGPALRHDVEAAIRKVGLDVSIERSDDVPIIREPSTHTIFVLG
RPITAAAFGAVAREVAALGVNIDLIRGVSDYPVIGLELRVSVPPGADEAL
RTALNRVSSEEHVDVAVEDYTLERRAKRLIVFDVDSTLVQGEVIEMLAAK
AGAEGQVAAITDAAMRGELDFAQSLQQRVATLAGLPATVIDEVAGQLELM
PGARTTLRTLRRLGYACGVVSGGFRRIIEPLAEELMLDYVAANELEIVDG
TLTGRVVGPIIDRAGKATALREFAQRAGVPMAQTVAVGDGANDIDMLAAA
GLGIAFNAKPALREVADASLSHPYLDTVLFLLGVTRGEIEAADAID
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3p96 Chain A Residue 412 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3p96 SAD phasing using iodide ions in a high-throughput structural genomics environment.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		D187 D189 D343
Binding residue
(residue number reindexed from 1)		D183 D185 D339
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D187 V188 D189 G276 K320 D347
Catalytic site (residue number reindexed from 1) D183 V184 D185 G272 K316 D343
Enzyme Commision number 3.1.3.3: phosphoserine phosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016787 hydrolase activity
GO:0036424 L-phosphoserine phosphatase activity
GO:0046872 metal ion binding
Biological Process
GO:0006564 L-serine biosynthetic process
GO:0016311 dephosphorylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3p96, PDBe:3p96, PDBj:3p96
PDBsum3p96
PubMed21359836
UniProtA0QJI1|SERB_MYCA1 Phosphoserine phosphatase (Gene Name=serB)

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