1ND6

Crystal Structures of Human Prostatic Acid Phosphatase in Complex with a Phosphate Ion and alpha-Benzylaminobenzylphosphonic Acid Update the Mechanistic Picture and Offer New Insights into Inhibitor Design

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003993	molecular_function	acid phosphatase activity
A	0004725	molecular_function	protein tyrosine phosphatase activity
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0005615	cellular_component	extracellular space
A	0005634	cellular_component	nucleus
A	0005737	cellular_component	cytoplasm
A	0005764	cellular_component	lysosome
A	0005765	cellular_component	lysosomal membrane
A	0005771	cellular_component	multivesicular body
A	0005829	cellular_component	cytosol
A	0005886	cellular_component	plasma membrane
A	0006144	biological_process	purine nucleobase metabolic process
A	0006629	biological_process	lipid metabolic process
A	0006772	biological_process	thiamine metabolic process
A	0007040	biological_process	lysosome organization
A	0008253	molecular_function	5'-nucleotidase activity
A	0009117	biological_process	nucleotide metabolic process
A	0012506	cellular_component	vesicle membrane
A	0016020	cellular_component	membrane
A	0016311	biological_process	dephosphorylation
A	0016787	molecular_function	hydrolase activity
A	0016791	molecular_function	phosphatase activity
A	0030141	cellular_component	secretory granule
A	0030175	cellular_component	filopodium
A	0031985	cellular_component	Golgi cisterna
A	0033265	molecular_function	choline binding
A	0035577	cellular_component	azurophil granule membrane
A	0042131	molecular_function	thiamine phosphate phosphatase activity
A	0042802	molecular_function	identical protein binding
A	0042803	molecular_function	protein homodimerization activity
A	0045177	cellular_component	apical part of cell
A	0046085	biological_process	adenosine metabolic process
A	0051930	biological_process	regulation of sensory perception of pain
A	0052642	molecular_function	lysophosphatidic acid phosphatase activity
A	0060090	molecular_function	molecular adaptor activity
A	0060168	biological_process	positive regulation of adenosine receptor signaling pathway
A	0070062	cellular_component	extracellular exosome
A	0106411	molecular_function	XMP 5'-nucleosidase activity
B	0003993	molecular_function	acid phosphatase activity
B	0004725	molecular_function	protein tyrosine phosphatase activity
B	0005515	molecular_function	protein binding
B	0005576	cellular_component	extracellular region
B	0005615	cellular_component	extracellular space
B	0005634	cellular_component	nucleus
B	0005737	cellular_component	cytoplasm
B	0005764	cellular_component	lysosome
B	0005765	cellular_component	lysosomal membrane
B	0005771	cellular_component	multivesicular body
B	0005829	cellular_component	cytosol
B	0005886	cellular_component	plasma membrane
B	0006144	biological_process	purine nucleobase metabolic process
B	0006629	biological_process	lipid metabolic process
B	0006772	biological_process	thiamine metabolic process
B	0007040	biological_process	lysosome organization
B	0008253	molecular_function	5'-nucleotidase activity
B	0009117	biological_process	nucleotide metabolic process
B	0012506	cellular_component	vesicle membrane
B	0016020	cellular_component	membrane
B	0016311	biological_process	dephosphorylation
B	0016787	molecular_function	hydrolase activity
B	0016791	molecular_function	phosphatase activity
B	0030141	cellular_component	secretory granule
B	0030175	cellular_component	filopodium
B	0031985	cellular_component	Golgi cisterna
B	0033265	molecular_function	choline binding
B	0035577	cellular_component	azurophil granule membrane
B	0042131	molecular_function	thiamine phosphate phosphatase activity
B	0042802	molecular_function	identical protein binding
B	0042803	molecular_function	protein homodimerization activity
B	0045177	cellular_component	apical part of cell
B	0046085	biological_process	adenosine metabolic process
B	0051930	biological_process	regulation of sensory perception of pain
B	0052642	molecular_function	lysophosphatidic acid phosphatase activity
B	0060090	molecular_function	molecular adaptor activity
B	0060168	biological_process	positive regulation of adenosine receptor signaling pathway
B	0070062	cellular_component	extracellular exosome
B	0106411	molecular_function	XMP 5'-nucleosidase activity
C	0003993	molecular_function	acid phosphatase activity
C	0004725	molecular_function	protein tyrosine phosphatase activity
C	0005515	molecular_function	protein binding
C	0005576	cellular_component	extracellular region
C	0005615	cellular_component	extracellular space
C	0005634	cellular_component	nucleus
C	0005737	cellular_component	cytoplasm
C	0005764	cellular_component	lysosome
C	0005765	cellular_component	lysosomal membrane
C	0005771	cellular_component	multivesicular body
C	0005829	cellular_component	cytosol
C	0005886	cellular_component	plasma membrane
C	0006144	biological_process	purine nucleobase metabolic process
C	0006629	biological_process	lipid metabolic process
C	0006772	biological_process	thiamine metabolic process
C	0007040	biological_process	lysosome organization
C	0008253	molecular_function	5'-nucleotidase activity
C	0009117	biological_process	nucleotide metabolic process
C	0012506	cellular_component	vesicle membrane
C	0016020	cellular_component	membrane
C	0016311	biological_process	dephosphorylation
C	0016787	molecular_function	hydrolase activity
C	0016791	molecular_function	phosphatase activity
C	0030141	cellular_component	secretory granule
C	0030175	cellular_component	filopodium
C	0031985	cellular_component	Golgi cisterna
C	0033265	molecular_function	choline binding
C	0035577	cellular_component	azurophil granule membrane
C	0042131	molecular_function	thiamine phosphate phosphatase activity
C	0042802	molecular_function	identical protein binding
C	0042803	molecular_function	protein homodimerization activity
C	0045177	cellular_component	apical part of cell
C	0046085	biological_process	adenosine metabolic process
C	0051930	biological_process	regulation of sensory perception of pain
C	0052642	molecular_function	lysophosphatidic acid phosphatase activity
C	0060090	molecular_function	molecular adaptor activity
C	0060168	biological_process	positive regulation of adenosine receptor signaling pathway
C	0070062	cellular_component	extracellular exosome
C	0106411	molecular_function	XMP 5'-nucleosidase activity
D	0003993	molecular_function	acid phosphatase activity
D	0004725	molecular_function	protein tyrosine phosphatase activity
D	0005515	molecular_function	protein binding
D	0005576	cellular_component	extracellular region
D	0005615	cellular_component	extracellular space
D	0005634	cellular_component	nucleus
D	0005737	cellular_component	cytoplasm
D	0005764	cellular_component	lysosome
D	0005765	cellular_component	lysosomal membrane
D	0005771	cellular_component	multivesicular body
D	0005829	cellular_component	cytosol
D	0005886	cellular_component	plasma membrane
D	0006144	biological_process	purine nucleobase metabolic process
D	0006629	biological_process	lipid metabolic process
D	0006772	biological_process	thiamine metabolic process
D	0007040	biological_process	lysosome organization
D	0008253	molecular_function	5'-nucleotidase activity
D	0009117	biological_process	nucleotide metabolic process
D	0012506	cellular_component	vesicle membrane
D	0016020	cellular_component	membrane
D	0016311	biological_process	dephosphorylation
D	0016787	molecular_function	hydrolase activity
D	0016791	molecular_function	phosphatase activity
D	0030141	cellular_component	secretory granule
D	0030175	cellular_component	filopodium
D	0031985	cellular_component	Golgi cisterna
D	0033265	molecular_function	choline binding
D	0035577	cellular_component	azurophil granule membrane
D	0042131	molecular_function	thiamine phosphate phosphatase activity
D	0042802	molecular_function	identical protein binding
D	0042803	molecular_function	protein homodimerization activity
D	0045177	cellular_component	apical part of cell
D	0046085	biological_process	adenosine metabolic process
D	0051930	biological_process	regulation of sensory perception of pain
D	0052642	molecular_function	lysophosphatidic acid phosphatase activity
D	0060090	molecular_function	molecular adaptor activity
D	0060168	biological_process	positive regulation of adenosine receptor signaling pathway
D	0070062	cellular_component	extracellular exosome
D	0106411	molecular_function	XMP 5'-nucleosidase activity

Functional Information from PROSITE/UniProt

site_id	PS00616
Number of Residues	15
Details	HIS_ACID_PHOSPHAT_1 Histidine acid phosphatases phosphohistidine signature. LkfVtlVfRHGdRsP

Chain	Residue	Details
A	LEU3-PRO17

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site_id	PS00778
Number of Residues	17
Details	HIS_ACID_PHOSPHAT_2 Histidine acid phosphatases active site signature. LiMYsAHDTTVsgLqmA

Chain	Residue	Details
A	LEU251-ALA267

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	ACT_SITE: Nucleophile => ECO:0000269|PubMed:1989985

Chain	Residue	Details
A	HIS12
B	HIS1011
C	HIS2011
D	HIS3011

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	ACT_SITE: Proton donor => ECO:0000305|PubMed:1989985

Chain	Residue	Details
A	ASP258
B	ASP1257
C	ASP2257
D	ASP3257

---

site_id	SWS_FT_FI3
Number of Residues	16
Details	BINDING: BINDING => ECO:0000269|PubMed:9804805

Chain	Residue	Details
A	ARG11
C	ARG2014
C	ARG2078
C	HIS2256
D	ARG3010
D	ARG3014
D	ARG3078
D	HIS3256
A	ARG15
A	ARG79
A	HIS257
B	ARG1010
B	ARG1014
B	ARG1078
B	HIS1256
C	ARG2010

---

site_id	SWS_FT_FI4
Number of Residues	4
Details	SITE: Important for substrate specificity

Chain	Residue	Details
A	PRO17
B	PRO1016
C	PRO2016
D	PRO3016

---

site_id	SWS_FT_FI5
Number of Residues	8
Details	SITE: Required for homodimerization => ECO:0000250|UniProtKB:P20646

Chain	Residue	Details
A	TRP106
A	HIS112
B	TRP1105
B	HIS1111
C	TRP2105
C	HIS2111
D	TRP3105
D	HIS3111

---

site_id	SWS_FT_FI6
Number of Residues	4
Details	SITE: Required for structural stability => ECO:0000269|PubMed:9584846

Chain	Residue	Details
A	TRP174
B	TRP1173
C	TRP2173
D	TRP3173

---

site_id	SWS_FT_FI7
Number of Residues	4
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:10639192

Chain	Residue	Details
A	ASN62
B	ASN1061
C	ASN2061
D	ASN3061

---

site_id	SWS_FT_FI8
Number of Residues	4
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:10639192, ECO:0000269|PubMed:12525165

Chain	Residue	Details
A	ASN188
B	ASN1187
C	ASN2187
D	ASN3187

---

site_id	SWS_FT_FI9
Number of Residues	4
Details	CARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:12525165

Chain	Residue	Details
A	ASN301
B	ASN1300
C	ASN2300
D	ASN3300

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	6
Details	Annotated By Reference To The Literature 1rpt

Chain	Residue	Details
A	ARG15
A	HIS257
A	ARG79
A	ASP258
A	ARG11
A	HIS12

---

site_id	CSA2
Number of Residues	6
Details	Annotated By Reference To The Literature 1rpt

Chain	Residue	Details
B	HIS1256
B	ARG1010
B	HIS1011
B	ASP1257
B	ARG1014
B	ARG1078

---

site_id	CSA3
Number of Residues	6
Details	Annotated By Reference To The Literature 1rpt

Chain	Residue	Details
C	ARG2014
C	ARG2078
C	ARG2010
C	HIS2011
C	HIS2256
C	ASP2257

---

site_id	CSA4
Number of Residues	6
Details	Annotated By Reference To The Literature 1rpt

Chain	Residue	Details
D	HIS3011
D	ASP3257
D	ARG3010
D	ARG3078
D	HIS3256
D	ARG3014

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