Structure of PDB 1nnl Chain B Binding Site BS01

Receptor Information
>1nnl Chain B (length=207) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SELRKLFYSADAVCFDVDSTVIREEGIDELAKICGVEDAVSEPFKAALTE
RLALIQPSREQVQRLIAEQPPHLTPGIRELVSRLQERNVQVFLISGGFRS
IVEHVASKLNIPATNVFANRLKFYFNGEYAGFDETQPTAESGGKGKVIKL
LKEKFHFKKIIMIGDGATDMEACPPADAFIGFGGNVIRQQVKDNAKWYIT
DFVELLG
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1nnl Chain B Residue 2002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nnl High-resolution structure of human phosphoserine phosphatase in open conformation.
Resolution1.53 Å
Binding residue
(original residue number in PDB)		D20 D22 D179
Binding residue
(residue number reindexed from 1)		D16 D18 D165
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D20 V21 D22 G110 K158 D183
Catalytic site (residue number reindexed from 1) D16 V17 D18 G96 K144 D169
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:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0001701 in utero embryonic development
GO:0006563 L-serine metabolic process
GO:0006564 L-serine biosynthetic process
GO:0009612 response to mechanical stimulus
GO:0031667 response to nutrient levels
GO:0033574 response to testosterone
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1nnl, PDBe:1nnl, PDBj:1nnl
PDBsum1nnl
PubMed12777757
UniProtP78330|SERB_HUMAN Phosphoserine phosphatase (Gene Name=PSPH)

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