Structure of PDB 2hpa Chain A Binding Site BS01

Receptor Information
>2hpa Chain A (length=342) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KELKFVTLVFRHGDRSPIDTFPTDPIKESSWPQGFGQLTQLGMEQHYELG
EYIRKRYRKFLNESYKHEQVYIRSTDVDRTLMSAMTNLAALFPPEGVSIW
NPILLWQPIPVHTVPLSEDQLLYLPFRNCPRFQELESETLKSEEFQKRLH
PYKDFIATLGKLSGLHGQDLFGIWSKVYDPLYCESVHNFTLPSWATEDTM
TKLRELSELSLLSLYGIHKQKEKSRLQGGVLVNEILNHMKRATQIPSYKK
LIMYSAHDTTVSGLQMALDVYNGLLPPYASCHLTELYFEKGEYFVEMYYR
NETQHEPYPLMLPGCSPSCPLERFAELVGPVIPQDWSTECMT
Ligand information
Ligand IDPT3
InChIInChI=1S/C7H13NO5/c1-2-3-8-6(11)4(9)5(10)7(12)13/h4-5,9-10H,2-3H2,1H3,(H,8,11)(H,12,13)/t4-,5-/m1/s1
InChIKeyLNEZKQHJUNIZIS-RFZPGFLSSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCNC(=O)[C@@H]([C@H](C(=O)O)O)O
OpenEye OEToolkits 1.5.0CCCNC(=O)C(C(C(=O)O)O)O
CACTVS 3.341CCCNC(=O)[CH](O)[CH](O)C(O)=O
CACTVS 3.341CCCNC(=O)[C@H](O)[C@@H](O)C(O)=O
ACDLabs 10.04O=C(NCCC)C(O)C(O)C(=O)O
FormulaC7 H13 N O5
NameN-PROPYL-TARTRAMIC ACID
ChEMBL
DrugBankDB03390
ZINCZINC000002043169
PDB chain2hpa Chain A Residue 1345 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2hpa Structural origins of L(+)-tartrate inhibition of human prostatic acid phosphatase.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		R1011 H1012 R1015 I1018 R1079 H1257 D1258
Binding residue
(residue number reindexed from 1)		R11 H12 R15 I18 R79 H257 D258
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=4.60,Ki=25uM
Enzymatic activity
Enzyme Commision number 3.1.3.2: acid phosphatase.
3.1.3.48: protein-tyrosine-phosphatase.
3.1.3.5: 5'-nucleotidase.
Gene Ontology
Molecular Function
GO:0003993 acid phosphatase activity
GO:0004725 protein tyrosine phosphatase activity
GO:0005515 protein binding
GO:0008253 5'-nucleotidase activity
GO:0016787 hydrolase activity
GO:0016791 phosphatase activity
GO:0033265 choline binding
GO:0042131 thiamine phosphate phosphatase activity
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0052642 lysophosphatidic acid phosphatase activity
GO:0060090 molecular adaptor activity
GO:0106411 XMP 5'-nucleosidase activity
Biological Process
GO:0006144 purine nucleobase metabolic process
GO:0006629 lipid metabolic process
GO:0006772 thiamine metabolic process
GO:0007040 lysosome organization
GO:0009117 nucleotide metabolic process
GO:0016311 dephosphorylation
GO:0046085 adenosine metabolic process
GO:0051930 regulation of sensory perception of pain
GO:0060168 positive regulation of adenosine receptor signaling pathway
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005765 lysosomal membrane
GO:0005771 multivesicular body
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0012506 vesicle membrane
GO:0016020 membrane
GO:0030141 secretory granule
GO:0030175 filopodium
GO:0031985 Golgi cisterna
GO:0035577 azurophil granule membrane
GO:0045177 apical part of cell
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2hpa, PDBe:2hpa, PDBj:2hpa
PDBsum2hpa
PubMed9804805
UniProtP15309|PPAP_HUMAN Prostatic acid phosphatase (Gene Name=ACP3)

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