Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1BZY

HUMAN HGPRTASE WITH TRANSITION STATE INHIBITOR

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0000287	molecular_function	magnesium ion binding
A	0004422	molecular_function	hypoxanthine phosphoribosyltransferase activity
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006164	biological_process	purine nucleotide biosynthetic process
A	0006166	biological_process	purine ribonucleoside salvage
A	0006178	biological_process	guanine salvage
A	0016740	molecular_function	transferase activity
A	0016757	molecular_function	glycosyltransferase activity
A	0032263	biological_process	GMP salvage
A	0032264	biological_process	IMP salvage
A	0042802	molecular_function	identical protein binding
A	0043103	biological_process	hypoxanthine salvage
A	0044209	biological_process	AMP salvage
A	0045964	biological_process	positive regulation of dopamine metabolic process
A	0046038	biological_process	GMP catabolic process
A	0046040	biological_process	IMP metabolic process
A	0046100	biological_process	hypoxanthine metabolic process
A	0046872	molecular_function	metal ion binding
A	0051289	biological_process	protein homotetramerization
A	0052657	molecular_function	guanine phosphoribosyltransferase activity
A	0070062	cellular_component	extracellular exosome
B	0000166	molecular_function	nucleotide binding
B	0000287	molecular_function	magnesium ion binding
B	0004422	molecular_function	hypoxanthine phosphoribosyltransferase activity
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006164	biological_process	purine nucleotide biosynthetic process
B	0006166	biological_process	purine ribonucleoside salvage
B	0006178	biological_process	guanine salvage
B	0016740	molecular_function	transferase activity
B	0016757	molecular_function	glycosyltransferase activity
B	0032263	biological_process	GMP salvage
B	0032264	biological_process	IMP salvage
B	0042802	molecular_function	identical protein binding
B	0043103	biological_process	hypoxanthine salvage
B	0044209	biological_process	AMP salvage
B	0045964	biological_process	positive regulation of dopamine metabolic process
B	0046038	biological_process	GMP catabolic process
B	0046040	biological_process	IMP metabolic process
B	0046100	biological_process	hypoxanthine metabolic process
B	0046872	molecular_function	metal ion binding
B	0051289	biological_process	protein homotetramerization
B	0052657	molecular_function	guanine phosphoribosyltransferase activity
B	0070062	cellular_component	extracellular exosome
C	0000166	molecular_function	nucleotide binding
C	0000287	molecular_function	magnesium ion binding
C	0004422	molecular_function	hypoxanthine phosphoribosyltransferase activity
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006164	biological_process	purine nucleotide biosynthetic process
C	0006166	biological_process	purine ribonucleoside salvage
C	0006178	biological_process	guanine salvage
C	0016740	molecular_function	transferase activity
C	0016757	molecular_function	glycosyltransferase activity
C	0032263	biological_process	GMP salvage
C	0032264	biological_process	IMP salvage
C	0042802	molecular_function	identical protein binding
C	0043103	biological_process	hypoxanthine salvage
C	0044209	biological_process	AMP salvage
C	0045964	biological_process	positive regulation of dopamine metabolic process
C	0046038	biological_process	GMP catabolic process
C	0046040	biological_process	IMP metabolic process
C	0046100	biological_process	hypoxanthine metabolic process
C	0046872	molecular_function	metal ion binding
C	0051289	biological_process	protein homotetramerization
C	0052657	molecular_function	guanine phosphoribosyltransferase activity
C	0070062	cellular_component	extracellular exosome
D	0000166	molecular_function	nucleotide binding
D	0000287	molecular_function	magnesium ion binding
D	0004422	molecular_function	hypoxanthine phosphoribosyltransferase activity
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006164	biological_process	purine nucleotide biosynthetic process
D	0006166	biological_process	purine ribonucleoside salvage
D	0006178	biological_process	guanine salvage
D	0016740	molecular_function	transferase activity
D	0016757	molecular_function	glycosyltransferase activity
D	0032263	biological_process	GMP salvage
D	0032264	biological_process	IMP salvage
D	0042802	molecular_function	identical protein binding
D	0043103	biological_process	hypoxanthine salvage
D	0044209	biological_process	AMP salvage
D	0045964	biological_process	positive regulation of dopamine metabolic process
D	0046038	biological_process	GMP catabolic process
D	0046040	biological_process	IMP metabolic process
D	0046100	biological_process	hypoxanthine metabolic process
D	0046872	molecular_function	metal ion binding
D	0051289	biological_process	protein homotetramerization
D	0052657	molecular_function	guanine phosphoribosyltransferase activity
D	0070062	cellular_component	extracellular exosome

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A 900

Chain	Residue
A	IMU300
A	POP400
A	HOH582
A	HOH631

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG A 901

Chain	Residue
A	ASP193
A	POP400
A	HOH630
A	HOH657
A	HOH706

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG B 900

Chain	Residue
B	IMU300
B	POP400
B	HOH577
B	HOH635

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG B 901

Chain	Residue
B	ASP193
B	POP400
B	HOH597
B	HOH655
B	HOH704

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG C 900

Chain	Residue
C	IMU300
C	POP400
C	HOH654
C	HOH757

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG C 901

Chain	Residue
C	ASP193
C	POP400
C	HOH586
C	HOH640
C	HOH698

site_id	AC7
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG D 900

Chain	Residue
D	IMU300
D	POP400
D	HOH653
D	HOH659

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG D 901

Chain	Residue
D	ASP193
D	POP400
D	HOH627
D	HOH751
D	HOH770

site_id	AC9
Number of Residues	20
Details	BINDING SITE FOR RESIDUE IMU A 300

Chain	Residue
A	TYR104
A	GLU133
A	ASP134
A	ILE135
A	ASP137
A	THR138
A	GLY139
A	LYS140
A	THR141
A	LYS165
A	LYS185
A	PHE186
A	VAL187
A	LEU192
A	ASP193
A	POP400
A	HOH506
A	HOH660
A	HOH706
A	MG900

site_id	BC1
Number of Residues	16
Details	BINDING SITE FOR RESIDUE POP A 400

Chain	Residue
A	LYS68
A	GLY69
A	LYS102
A	SER103
A	TYR104
A	ASP193
A	ARG199
A	IMU300
A	HOH582
A	HOH590
A	HOH607
A	HOH631
A	HOH696
A	HOH722
A	MG900
A	MG901

site_id	BC2
Number of Residues	20
Details	BINDING SITE FOR RESIDUE IMU B 300

Chain	Residue
B	TYR104
B	GLU133
B	ASP134
B	ILE135
B	ASP137
B	THR138
B	GLY139
B	LYS140
B	THR141
B	LYS165
B	PHE186
B	VAL187
B	LEU192
B	ASP193
B	POP400
B	HOH501
B	HOH577
B	HOH655
B	HOH677
B	MG900

site_id	BC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE POP B 400

Chain	Residue
B	IMU300
B	HOH570
B	HOH577
B	HOH588
B	HOH632
B	HOH704
B	HOH785
B	MG900
B	MG901
B	LYS68
B	GLY69
B	LYS102
B	SER103
B	TYR104
B	ASP193
B	ARG199

site_id	BC4
Number of Residues	19
Details	BINDING SITE FOR RESIDUE IMU C 300

Chain	Residue
C	TYR104
C	GLU133
C	ASP134
C	ILE135
C	ASP137
C	THR138
C	GLY139
C	LYS140
C	THR141
C	LYS165
C	PHE186
C	VAL187
C	LEU192
C	ASP193
C	POP400
C	HOH603
C	HOH640
C	HOH645
C	MG900

site_id	BC5
Number of Residues	15
Details	BINDING SITE FOR RESIDUE POP C 400

Chain	Residue
C	LEU67
C	LYS68
C	GLY69
C	LEU101
C	LYS102
C	SER103
C	TYR104
C	ASP193
C	ARG199
C	IMU300
C	HOH654
C	HOH674
C	HOH698
C	MG900
C	MG901

site_id	BC6
Number of Residues	20
Details	BINDING SITE FOR RESIDUE IMU D 300

Chain	Residue
D	TYR104
D	GLU133
D	ASP134
D	ILE135
D	ASP137
D	THR138
D	GLY139
D	LYS140
D	THR141
D	LYS165
D	LYS185
D	PHE186
D	VAL187
D	LEU192
D	ASP193
D	POP400
D	HOH504
D	HOH703
D	HOH751
D	MG900

site_id	BC7
Number of Residues	16
Details	BINDING SITE FOR RESIDUE POP D 400

Chain	Residue
D	LYS68
D	GLY69
D	LYS102
D	SER103
D	TYR104
D	ASP193
D	ARG199
D	IMU300
D	HOH549
D	HOH653
D	HOH659
D	HOH702
D	HOH751
D	HOH769
D	MG900
D	MG901

Functional Information from PROSITE/UniProt

site_id	PS00103
Number of Residues	13
Details	PUR_PYR_PR_TRANSFER Purine/pyrimidine phosphoribosyl transferases signature. VLIVEDIIDTGkT

Chain	Residue	Details
A	VAL129-THR141

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Active site: {"description":"Proton acceptor","evidences":[{"evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	48
Details	Binding site: {"evidences":[{"source":"PubMed","id":"8044844","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	4
Details	Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"P00493","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	4
Details	Modified residue: {"description":"Phosphothreonine","evidences":[{"source":"UniProtKB","id":"P27605","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	8
Details	Cross-link: {"description":"Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO2); alternate","evidences":[{"source":"PubMed","id":"28112733","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	5
Details	a catalytic site defined by CSA, PubMed 10360366, 11258886, 11188695, 10545171, 9083019, 9521733

Chain	Residue	Details
A	GLU133
A	ASP134
A	ARG169
A	ASP137
A	TYR104

site_id	CSA2
Number of Residues	5
Details	a catalytic site defined by CSA, PubMed 10360366, 11258886, 11188695, 10545171, 9083019, 9521733

Chain	Residue	Details
B	GLU133
B	ASP134
B	ARG169
B	ASP137
B	TYR104

site_id	CSA3
Number of Residues	5
Details	a catalytic site defined by CSA, PubMed 10360366, 11258886, 11188695, 10545171, 9083019, 9521733

Chain	Residue	Details
C	GLU133
C	ASP134
C	ARG169
C	ASP137
C	TYR104

site_id	CSA4
Number of Residues	5
Details	a catalytic site defined by CSA, PubMed 10360366, 11258886, 11188695, 10545171, 9083019, 9521733

Chain	Residue	Details
D	GLU133
D	ASP134
D	ARG169
D	ASP137
D	TYR104

site_id	MCSA1
Number of Residues	5
Details	M-CSA 48

Chain	Residue	Details
A	GLU133	attractive charge-charge interaction, electrostatic stabiliser
A	ASP134	attractive charge-charge interaction, electrostatic stabiliser
A	ASP137	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	PHE186	electrostatic stabiliser
A	ARG199	electrostatic stabiliser

site_id	MCSA2
Number of Residues	5
Details	M-CSA 48

Chain	Residue	Details
B	GLU133	attractive charge-charge interaction, electrostatic stabiliser
B	ASP134	attractive charge-charge interaction, electrostatic stabiliser
B	ASP137	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	PHE186	electrostatic stabiliser
B	ARG199	electrostatic stabiliser

site_id	MCSA3
Number of Residues	5
Details	M-CSA 48

Chain	Residue	Details
C	GLU133	attractive charge-charge interaction, electrostatic stabiliser
C	ASP134	attractive charge-charge interaction, electrostatic stabiliser
C	ASP137	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	PHE186	electrostatic stabiliser
C	ARG199	electrostatic stabiliser

site_id	MCSA4
Number of Residues	5
Details	M-CSA 48

Chain	Residue	Details
D	GLU133	attractive charge-charge interaction, electrostatic stabiliser
D	ASP134	attractive charge-charge interaction, electrostatic stabiliser
D	ASP137	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	PHE186	electrostatic stabiliser
D	ARG199	electrostatic stabiliser

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