Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

7ZSL

human purine nucleoside phosphorylase in complex with JS-196

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000255	biological_process	allantoin metabolic process
A	0001882	molecular_function	nucleoside binding
A	0002060	molecular_function	purine nucleobase binding
A	0003824	molecular_function	catalytic activity
A	0004731	molecular_function	purine-nucleoside phosphorylase activity
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006139	biological_process	nucleobase-containing compound metabolic process
A	0006148	biological_process	inosine catabolic process
A	0006149	biological_process	deoxyinosine catabolic process
A	0006157	biological_process	deoxyadenosine catabolic process
A	0006166	biological_process	purine ribonucleoside salvage
A	0006204	biological_process	IMP catabolic process
A	0006738	biological_process	nicotinamide riboside catabolic process
A	0006955	biological_process	immune response
A	0009116	biological_process	nucleoside metabolic process
A	0009165	biological_process	nucleotide biosynthetic process
A	0009410	biological_process	response to xenobiotic stimulus
A	0016757	molecular_function	glycosyltransferase activity
A	0016763	molecular_function	pentosyltransferase activity
A	0032743	biological_process	positive regulation of interleukin-2 production
A	0034418	biological_process	urate biosynthetic process
A	0034774	cellular_component	secretory granule lumen
A	0042102	biological_process	positive regulation of T cell proliferation
A	0042301	molecular_function	phosphate ion binding
A	0042802	molecular_function	identical protein binding
A	0043101	biological_process	purine-containing compound salvage
A	0046059	biological_process	dAMP catabolic process
A	0046638	biological_process	positive regulation of alpha-beta T cell differentiation
A	0047975	molecular_function	guanosine phosphorylase activity
A	0070062	cellular_component	extracellular exosome
A	1904813	cellular_component	ficolin-1-rich granule lumen
B	0000255	biological_process	allantoin metabolic process
B	0001882	molecular_function	nucleoside binding
B	0002060	molecular_function	purine nucleobase binding
B	0003824	molecular_function	catalytic activity
B	0004731	molecular_function	purine-nucleoside phosphorylase activity
B	0005515	molecular_function	protein binding
B	0005576	cellular_component	extracellular region
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006139	biological_process	nucleobase-containing compound metabolic process
B	0006148	biological_process	inosine catabolic process
B	0006149	biological_process	deoxyinosine catabolic process
B	0006157	biological_process	deoxyadenosine catabolic process
B	0006166	biological_process	purine ribonucleoside salvage
B	0006204	biological_process	IMP catabolic process
B	0006738	biological_process	nicotinamide riboside catabolic process
B	0006955	biological_process	immune response
B	0009116	biological_process	nucleoside metabolic process
B	0009165	biological_process	nucleotide biosynthetic process
B	0009410	biological_process	response to xenobiotic stimulus
B	0016757	molecular_function	glycosyltransferase activity
B	0016763	molecular_function	pentosyltransferase activity
B	0032743	biological_process	positive regulation of interleukin-2 production
B	0034418	biological_process	urate biosynthetic process
B	0034774	cellular_component	secretory granule lumen
B	0042102	biological_process	positive regulation of T cell proliferation
B	0042301	molecular_function	phosphate ion binding
B	0042802	molecular_function	identical protein binding
B	0043101	biological_process	purine-containing compound salvage
B	0046059	biological_process	dAMP catabolic process
B	0046638	biological_process	positive regulation of alpha-beta T cell differentiation
B	0047975	molecular_function	guanosine phosphorylase activity
B	0070062	cellular_component	extracellular exosome
B	1904813	cellular_component	ficolin-1-rich granule lumen
C	0000255	biological_process	allantoin metabolic process
C	0001882	molecular_function	nucleoside binding
C	0002060	molecular_function	purine nucleobase binding
C	0003824	molecular_function	catalytic activity
C	0004731	molecular_function	purine-nucleoside phosphorylase activity
C	0005515	molecular_function	protein binding
C	0005576	cellular_component	extracellular region
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006139	biological_process	nucleobase-containing compound metabolic process
C	0006148	biological_process	inosine catabolic process
C	0006149	biological_process	deoxyinosine catabolic process
C	0006157	biological_process	deoxyadenosine catabolic process
C	0006166	biological_process	purine ribonucleoside salvage
C	0006204	biological_process	IMP catabolic process
C	0006738	biological_process	nicotinamide riboside catabolic process
C	0006955	biological_process	immune response
C	0009116	biological_process	nucleoside metabolic process
C	0009165	biological_process	nucleotide biosynthetic process
C	0009410	biological_process	response to xenobiotic stimulus
C	0016757	molecular_function	glycosyltransferase activity
C	0016763	molecular_function	pentosyltransferase activity
C	0032743	biological_process	positive regulation of interleukin-2 production
C	0034418	biological_process	urate biosynthetic process
C	0034774	cellular_component	secretory granule lumen
C	0042102	biological_process	positive regulation of T cell proliferation
C	0042301	molecular_function	phosphate ion binding
C	0042802	molecular_function	identical protein binding
C	0043101	biological_process	purine-containing compound salvage
C	0046059	biological_process	dAMP catabolic process
C	0046638	biological_process	positive regulation of alpha-beta T cell differentiation
C	0047975	molecular_function	guanosine phosphorylase activity
C	0070062	cellular_component	extracellular exosome
C	1904813	cellular_component	ficolin-1-rich granule lumen
D	0000255	biological_process	allantoin metabolic process
D	0001882	molecular_function	nucleoside binding
D	0002060	molecular_function	purine nucleobase binding
D	0003824	molecular_function	catalytic activity
D	0004731	molecular_function	purine-nucleoside phosphorylase activity
D	0005515	molecular_function	protein binding
D	0005576	cellular_component	extracellular region
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006139	biological_process	nucleobase-containing compound metabolic process
D	0006148	biological_process	inosine catabolic process
D	0006149	biological_process	deoxyinosine catabolic process
D	0006157	biological_process	deoxyadenosine catabolic process
D	0006166	biological_process	purine ribonucleoside salvage
D	0006204	biological_process	IMP catabolic process
D	0006738	biological_process	nicotinamide riboside catabolic process
D	0006955	biological_process	immune response
D	0009116	biological_process	nucleoside metabolic process
D	0009165	biological_process	nucleotide biosynthetic process
D	0009410	biological_process	response to xenobiotic stimulus
D	0016757	molecular_function	glycosyltransferase activity
D	0016763	molecular_function	pentosyltransferase activity
D	0032743	biological_process	positive regulation of interleukin-2 production
D	0034418	biological_process	urate biosynthetic process
D	0034774	cellular_component	secretory granule lumen
D	0042102	biological_process	positive regulation of T cell proliferation
D	0042301	molecular_function	phosphate ion binding
D	0042802	molecular_function	identical protein binding
D	0043101	biological_process	purine-containing compound salvage
D	0046059	biological_process	dAMP catabolic process
D	0046638	biological_process	positive regulation of alpha-beta T cell differentiation
D	0047975	molecular_function	guanosine phosphorylase activity
D	0070062	cellular_component	extracellular exosome
D	1904813	cellular_component	ficolin-1-rich granule lumen
E	0000255	biological_process	allantoin metabolic process
E	0001882	molecular_function	nucleoside binding
E	0002060	molecular_function	purine nucleobase binding
E	0003824	molecular_function	catalytic activity
E	0004731	molecular_function	purine-nucleoside phosphorylase activity
E	0005515	molecular_function	protein binding
E	0005576	cellular_component	extracellular region
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0006139	biological_process	nucleobase-containing compound metabolic process
E	0006148	biological_process	inosine catabolic process
E	0006149	biological_process	deoxyinosine catabolic process
E	0006157	biological_process	deoxyadenosine catabolic process
E	0006166	biological_process	purine ribonucleoside salvage
E	0006204	biological_process	IMP catabolic process
E	0006738	biological_process	nicotinamide riboside catabolic process
E	0006955	biological_process	immune response
E	0009116	biological_process	nucleoside metabolic process
E	0009165	biological_process	nucleotide biosynthetic process
E	0009410	biological_process	response to xenobiotic stimulus
E	0016757	molecular_function	glycosyltransferase activity
E	0016763	molecular_function	pentosyltransferase activity
E	0032743	biological_process	positive regulation of interleukin-2 production
E	0034418	biological_process	urate biosynthetic process
E	0034774	cellular_component	secretory granule lumen
E	0042102	biological_process	positive regulation of T cell proliferation
E	0042301	molecular_function	phosphate ion binding
E	0042802	molecular_function	identical protein binding
E	0043101	biological_process	purine-containing compound salvage
E	0046059	biological_process	dAMP catabolic process
E	0046638	biological_process	positive regulation of alpha-beta T cell differentiation
E	0047975	molecular_function	guanosine phosphorylase activity
E	0070062	cellular_component	extracellular exosome
E	1904813	cellular_component	ficolin-1-rich granule lumen
F	0000255	biological_process	allantoin metabolic process
F	0001882	molecular_function	nucleoside binding
F	0002060	molecular_function	purine nucleobase binding
F	0003824	molecular_function	catalytic activity
F	0004731	molecular_function	purine-nucleoside phosphorylase activity
F	0005515	molecular_function	protein binding
F	0005576	cellular_component	extracellular region
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0006139	biological_process	nucleobase-containing compound metabolic process
F	0006148	biological_process	inosine catabolic process
F	0006149	biological_process	deoxyinosine catabolic process
F	0006157	biological_process	deoxyadenosine catabolic process
F	0006166	biological_process	purine ribonucleoside salvage
F	0006204	biological_process	IMP catabolic process
F	0006738	biological_process	nicotinamide riboside catabolic process
F	0006955	biological_process	immune response
F	0009116	biological_process	nucleoside metabolic process
F	0009165	biological_process	nucleotide biosynthetic process
F	0009410	biological_process	response to xenobiotic stimulus
F	0016757	molecular_function	glycosyltransferase activity
F	0016763	molecular_function	pentosyltransferase activity
F	0032743	biological_process	positive regulation of interleukin-2 production
F	0034418	biological_process	urate biosynthetic process
F	0034774	cellular_component	secretory granule lumen
F	0042102	biological_process	positive regulation of T cell proliferation
F	0042301	molecular_function	phosphate ion binding
F	0042802	molecular_function	identical protein binding
F	0043101	biological_process	purine-containing compound salvage
F	0046059	biological_process	dAMP catabolic process
F	0046638	biological_process	positive regulation of alpha-beta T cell differentiation
F	0047975	molecular_function	guanosine phosphorylase activity
F	0070062	cellular_component	extracellular exosome
F	1904813	cellular_component	ficolin-1-rich granule lumen

Functional Information from PROSITE/UniProt

site_id	PS01240
Number of Residues	42
Details	PNP_MTAP_2 Purine and other phosphorylases family 2 signature. VmmqGrfHmYegypLwkvTfpVrVfhllGvdt.LVvtNAaGGL

Chain	Residue	Details
A	VAL79-LEU120

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	BINDING: BINDING => ECO:0000269\|PubMed:23438750, ECO:0000305\|PubMed:14706628, ECO:0000305\|PubMed:1763067, ECO:0007744\|PDB:1RCT, ECO:0007744\|PDB:1ULA, ECO:0007744\|PDB:1ULB, ECO:0007744\|PDB:4EAR, ECO:0007744\|PDB:4EB8, ECO:0007744\|PDB:4GKA

Chain	Residue	Details
A	SER33
B	SER33
C	SER33
D	SER33
E	SER33
F	SER33

site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING: BINDING => ECO:0000250\|UniProtKB:P55859

Chain	Residue	Details
A	HIS64
B	HIS64
C	HIS64
D	HIS64
E	HIS64
F	HIS64

site_id	SWS_FT_FI3
Number of Residues	6
Details	BINDING: BINDING => ECO:0000269\|PubMed:23438750, ECO:0000305\|PubMed:14706628, ECO:0000305\|PubMed:1763067, ECO:0007744\|PDB:1RCT, ECO:0007744\|PDB:1ULA, ECO:0007744\|PDB:1ULB, ECO:0007744\|PDB:1V3Q, ECO:0007744\|PDB:4EAR, ECO:0007744\|PDB:4EB8, ECO:0007744\|PDB:4GKA

Chain	Residue	Details
A	ARG84
B	ARG84
C	ARG84
D	ARG84
E	ARG84
F	ARG84

site_id	SWS_FT_FI4
Number of Residues	6
Details	BINDING: BINDING => ECO:0000269\|PubMed:14706628, ECO:0000269\|PubMed:23438750, ECO:0007744\|PDB:1RCT, ECO:0007744\|PDB:4EAR, ECO:0007744\|PDB:4EB8

Chain	Residue	Details
A	TYR88
B	TYR88
C	TYR88
D	TYR88
E	TYR88
F	TYR88

site_id	SWS_FT_FI5
Number of Residues	24
Details	BINDING: BINDING => ECO:0000269\|PubMed:14706628, ECO:0000269\|PubMed:23438750, ECO:0000305\|PubMed:1763067, ECO:0007744\|PDB:1RCT, ECO:0007744\|PDB:1ULB, ECO:0007744\|PDB:4EAR, ECO:0007744\|PDB:4EB8, ECO:0007744\|PDB:4GKA

Chain	Residue	Details
A	ALA116
C	GLU201
C	SER220
C	ASN243
D	ALA116
D	GLU201
D	SER220
D	ASN243
E	ALA116
E	GLU201
E	SER220
A	GLU201
E	ASN243
F	ALA116
F	GLU201
F	SER220
F	ASN243
A	SER220
A	ASN243
B	ALA116
B	GLU201
B	SER220
B	ASN243
C	ALA116

site_id	SWS_FT_FI6
Number of Residues	12
Details	BINDING: BINDING => ECO:0000269\|PubMed:14706628, ECO:0007744\|PDB:1RCT

Chain	Residue	Details
A	MET219
E	HIS257
F	MET219
F	HIS257
A	HIS257
B	MET219
B	HIS257
C	MET219
C	HIS257
D	MET219
D	HIS257
E	MET219

site_id	SWS_FT_FI7
Number of Residues	6
Details	SITE: Important for substrate specificity => ECO:0000269\|PubMed:9305964

Chain	Residue	Details
A	ASN243
B	ASN243
C	ASN243
D	ASN243
E	ASN243
F	ASN243

site_id	SWS_FT_FI8
Number of Residues	6
Details	MOD_RES: N-acetylmethionine => ECO:0000269\|Ref.8, ECO:0007744\|PubMed:19413330, ECO:0007744\|PubMed:22223895

Chain	Residue	Details
A	MET1
B	MET1
C	MET1
D	MET1
E	MET1
F	MET1

site_id	SWS_FT_FI9
Number of Residues	6
Details	MOD_RES: Phosphoserine => ECO:0007744\|PubMed:23186163

Chain	Residue	Details
A	SER251
B	SER251
C	SER251
D	SER251
E	SER251
F	SER251

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	10
Details	M-CSA 17

Chain	Residue	Details
A	SER33	hydrogen bond donor
A	HIS257	electrostatic stabiliser, hydrogen bond acceptor
A	HIS64	electrostatic stabiliser
A	HIS86	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	TYR88	electrostatic stabiliser, hydrogen bond donor
A	GLU89	activator, electrostatic stabiliser, hydrogen bond acceptor
A	ALA116	electrostatic stabiliser, hydrogen bond donor
A	MET219	electrostatic stabiliser, hydrogen bond donor
A	SER220	electrostatic stabiliser, hydrogen bond donor
A	ASN243	electrostatic stabiliser, hydrogen bond donor, polar interaction

site_id	MCSA2
Number of Residues	10
Details	M-CSA 17

Chain	Residue	Details
B	SER33	hydrogen bond donor
B	HIS257	electrostatic stabiliser, hydrogen bond acceptor
B	HIS64	electrostatic stabiliser
B	HIS86	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	TYR88	electrostatic stabiliser, hydrogen bond donor
B	GLU89	activator, electrostatic stabiliser, hydrogen bond acceptor
B	ALA116	electrostatic stabiliser, hydrogen bond donor
B	MET219	electrostatic stabiliser, hydrogen bond donor
B	SER220	electrostatic stabiliser, hydrogen bond donor
B	ASN243	electrostatic stabiliser, hydrogen bond donor, polar interaction

site_id	MCSA3
Number of Residues	10
Details	M-CSA 17

Chain	Residue	Details
C	SER33	hydrogen bond donor
C	HIS257	electrostatic stabiliser, hydrogen bond acceptor
C	HIS64	electrostatic stabiliser
C	HIS86	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	TYR88	electrostatic stabiliser, hydrogen bond donor
C	GLU89	activator, electrostatic stabiliser, hydrogen bond acceptor
C	ALA116	electrostatic stabiliser, hydrogen bond donor
C	MET219	electrostatic stabiliser, hydrogen bond donor
C	SER220	electrostatic stabiliser, hydrogen bond donor
C	ASN243	electrostatic stabiliser, hydrogen bond donor, polar interaction

site_id	MCSA4
Number of Residues	10
Details	M-CSA 17

Chain	Residue	Details
D	SER33	hydrogen bond donor
D	HIS257	electrostatic stabiliser, hydrogen bond acceptor
D	HIS64	electrostatic stabiliser
D	HIS86	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	TYR88	electrostatic stabiliser, hydrogen bond donor
D	GLU89	activator, electrostatic stabiliser, hydrogen bond acceptor
D	ALA116	electrostatic stabiliser, hydrogen bond donor
D	MET219	electrostatic stabiliser, hydrogen bond donor
D	SER220	electrostatic stabiliser, hydrogen bond donor
D	ASN243	electrostatic stabiliser, hydrogen bond donor, polar interaction

site_id	MCSA5
Number of Residues	10
Details	M-CSA 17

Chain	Residue	Details
E	SER33	hydrogen bond donor
E	HIS257	electrostatic stabiliser, hydrogen bond acceptor
E	HIS64	electrostatic stabiliser
E	HIS86	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
E	TYR88	electrostatic stabiliser, hydrogen bond donor
E	GLU89	activator, electrostatic stabiliser, hydrogen bond acceptor
E	ALA116	electrostatic stabiliser, hydrogen bond donor
E	MET219	electrostatic stabiliser, hydrogen bond donor
E	SER220	electrostatic stabiliser, hydrogen bond donor
E	ASN243	electrostatic stabiliser, hydrogen bond donor, polar interaction

site_id	MCSA6
Number of Residues	10
Details	M-CSA 17

Chain	Residue	Details
F	SER33	hydrogen bond donor
F	HIS257	electrostatic stabiliser, hydrogen bond acceptor
F	HIS64	electrostatic stabiliser
F	HIS86	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
F	TYR88	electrostatic stabiliser, hydrogen bond donor
F	GLU89	activator, electrostatic stabiliser, hydrogen bond acceptor
F	ALA116	electrostatic stabiliser, hydrogen bond donor
F	MET219	electrostatic stabiliser, hydrogen bond donor
F	SER220	electrostatic stabiliser, hydrogen bond donor
F	ASN243	electrostatic stabiliser, hydrogen bond donor, polar interaction

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)