Structure of PDB 1l8l Chain B Binding Site BS01

Receptor Information
>1l8l Chain B (length=222) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HSELRKLFYSADAVCFDVDSTVIREEGIDELAKICGVEDAVSEMTRRAMG
GAVPFKAALTERLALIQPSREQVQRLIAEQPPHLTPGIRELVSRLQERNV
QVFLISGGFRSIVEHVASKLNIPATNVFANRLKFYFNGEYAGFDETQPTA
ESGGKGKVIKFLKEKFHFKKIIMIGDGATDMEACPPADAFIGFGGNVIRQ
QVKDNAKWYITDFVELLGELEE
Ligand information
Ligand IDAPO
InChIInChI=1S/C3H8NO5P/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)/t2-/m1/s1
InChIKeyLBTABPSJONFLPO-UWTATZPHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)P(=O)(O)O
ACDLabs 10.04O=C(O)C(N)CP(=O)(O)O
CACTVS 3.341N[C@H](C[P](O)(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C([C@H](C(=O)O)N)P(=O)(O)O
CACTVS 3.341N[CH](C[P](O)(O)=O)C(O)=O
FormulaC3 H8 N O5 P
NameD-2-AMINO-3-PHOSPHONO-PROPIONIC ACID
ChEMBLCHEMBL1231023
DrugBankDB03292
ZINCZINC000003873029
PDB chain1l8l Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1l8l Molecular basis for the local conformational rearrangement of human phosphoserine phosphatase.
Resolution2.51 Å
Binding residue
(original residue number in PDB)		D20 D22 S109 G110 K158 T182 D183
Binding residue
(residue number reindexed from 1)		D17 D19 S106 G107 K155 T179 D180
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) D20 V21 D22 G110 K158 D183
Catalytic site (residue number reindexed from 1) D17 V18 D19 G107 K155 D180
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:1l8l, PDBe:1l8l, PDBj:1l8l
PDBsum1l8l
PubMed12213811
UniProtP78330|SERB_HUMAN Phosphoserine phosphatase (Gene Name=PSPH)

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