Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5K7X

Fully ligated Adenylosuccinate Synthetase from Pyrococcus horikoshii OT3 with GTP, IMP and Hadacidin

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000166	molecular_function	nucleotide binding
A	0000287	molecular_function	magnesium ion binding
A	0004019	molecular_function	adenylosuccinate synthase activity
A	0005525	molecular_function	GTP binding
A	0005737	cellular_component	cytoplasm
A	0006164	biological_process	purine nucleotide biosynthetic process
A	0016874	molecular_function	ligase activity
A	0044208	biological_process	'de novo' AMP biosynthetic process
A	0046040	biological_process	IMP metabolic process
A	0046872	molecular_function	metal ion binding
B	0000166	molecular_function	nucleotide binding
B	0000287	molecular_function	magnesium ion binding
B	0004019	molecular_function	adenylosuccinate synthase activity
B	0005525	molecular_function	GTP binding
B	0005737	cellular_component	cytoplasm
B	0006164	biological_process	purine nucleotide biosynthetic process
B	0016874	molecular_function	ligase activity
B	0044208	biological_process	'de novo' AMP biosynthetic process
B	0046040	biological_process	IMP metabolic process
B	0046872	molecular_function	metal ion binding
C	0000166	molecular_function	nucleotide binding
C	0000287	molecular_function	magnesium ion binding
C	0004019	molecular_function	adenylosuccinate synthase activity
C	0005525	molecular_function	GTP binding
C	0005737	cellular_component	cytoplasm
C	0006164	biological_process	purine nucleotide biosynthetic process
C	0016874	molecular_function	ligase activity
C	0044208	biological_process	'de novo' AMP biosynthetic process
C	0046040	biological_process	IMP metabolic process
C	0046872	molecular_function	metal ion binding
D	0000166	molecular_function	nucleotide binding
D	0000287	molecular_function	magnesium ion binding
D	0004019	molecular_function	adenylosuccinate synthase activity
D	0005525	molecular_function	GTP binding
D	0005737	cellular_component	cytoplasm
D	0006164	biological_process	purine nucleotide biosynthetic process
D	0016874	molecular_function	ligase activity
D	0044208	biological_process	'de novo' AMP biosynthetic process
D	0046040	biological_process	IMP metabolic process
D	0046872	molecular_function	metal ion binding
E	0000166	molecular_function	nucleotide binding
E	0000287	molecular_function	magnesium ion binding
E	0004019	molecular_function	adenylosuccinate synthase activity
E	0005525	molecular_function	GTP binding
E	0005737	cellular_component	cytoplasm
E	0006164	biological_process	purine nucleotide biosynthetic process
E	0016874	molecular_function	ligase activity
E	0044208	biological_process	'de novo' AMP biosynthetic process
E	0046040	biological_process	IMP metabolic process
E	0046872	molecular_function	metal ion binding
F	0000166	molecular_function	nucleotide binding
F	0000287	molecular_function	magnesium ion binding
F	0004019	molecular_function	adenylosuccinate synthase activity
F	0005525	molecular_function	GTP binding
F	0005737	cellular_component	cytoplasm
F	0006164	biological_process	purine nucleotide biosynthetic process
F	0016874	molecular_function	ligase activity
F	0044208	biological_process	'de novo' AMP biosynthetic process
F	0046040	biological_process	IMP metabolic process
F	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	21
Details	binding site for residue GTP A 400

Chain	Residue
A	ASP13
A	LYS51
A	GLU249
A	ARG258
A	MET284
A	ASP286
A	LYS287
A	LYS324
A	GLY326
A	IMP401
A	HDA402
A	GLU14
A	MG403
A	HOH503
A	GLY15
A	LYS16
A	GLY17
A	SER18
A	GLY42
A	HIS43
A	SER44

site_id	AC2
Number of Residues	15
Details	binding site for residue IMP A 401

Chain	Residue
A	TRP11
A	ASP13
A	ASN40
A	ALA41
A	GLY125
A	THR126
A	THR127
A	GLN179
A	LEU183
A	VAL193
A	THR194
A	VAL228
A	GTP400
A	HDA402
B	ARG141

site_id	AC3
Number of Residues	12
Details	binding site for residue HDA A 402

Chain	Residue
A	ASP13
A	GLY42
A	VAL228
A	GLY251
A	THR252
A	VAL253
A	THR254
A	GLY255
A	ARG258
A	GTP400
A	IMP401
A	MG403

site_id	AC4
Number of Residues	5
Details	binding site for residue MG A 403

Chain	Residue
A	ASP13
A	GLY42
A	ARG258
A	GTP400
A	HDA402

site_id	AC5
Number of Residues	19
Details	binding site for residue GTP B 400

Chain	Residue
B	ASP13
B	GLU14
B	GLY15
B	LYS16
B	GLY17
B	SER18
B	GLY42
B	HIS43
B	SER44
B	THR252
B	ARG258
B	MET284
B	ASP286
B	LYS324
B	GLY326
B	PRO327
B	IMP401
B	HDA402
B	MG403

site_id	AC6
Number of Residues	16
Details	binding site for residue IMP B 401

Chain	Residue
A	ARG141
B	TRP11
B	ASP13
B	ASN40
B	ALA41
B	GLY125
B	THR126
B	THR127
B	GLN179
B	LEU183
B	VAL193
B	THR194
B	VAL228
B	GTP400
B	HDA402
B	HOH501

site_id	AC7
Number of Residues	10
Details	binding site for residue HDA B 402

Chain	Residue
B	ASP13
B	VAL228
B	GLY251
B	THR252
B	VAL253
B	THR254
B	GLY255
B	GTP400
B	IMP401
B	MG403

site_id	AC8
Number of Residues	4
Details	binding site for residue MG B 403

Chain	Residue
B	GLY42
B	GTP400
B	HDA402
B	ASP13

site_id	AC9
Number of Residues	23
Details	binding site for residue GTP C 400

Chain	Residue
C	ASP13
C	GLU14
C	GLY15
C	LYS16
C	GLY17
C	SER18
C	ALA41
C	GLY42
C	HIS43
C	SER44
C	LYS51
C	THR252
C	ARG258
C	MET284
C	ASP286
C	LYS287
C	LYS324
C	GLY326
C	PRO327
C	IMP401
C	HDA402
C	MG403
C	HOH509

site_id	AD1
Number of Residues	15
Details	binding site for residue IMP C 401

Chain	Residue
C	TRP11
C	ASP13
C	ASN40
C	ALA41
C	GLY125
C	THR126
C	THR127
C	GLN179
C	LEU183
C	VAL193
C	THR194
C	VAL228
C	GTP400
C	HDA402
D	ARG141

site_id	AD2
Number of Residues	11
Details	binding site for residue HDA C 402

Chain	Residue
C	ASP13
C	GLY42
C	VAL228
C	GLY251
C	THR252
C	VAL253
C	THR254
C	ARG258
C	GTP400
C	IMP401
C	MG403

site_id	AD3
Number of Residues	4
Details	binding site for residue MG C 403

Chain	Residue
C	ASP13
C	GLY42
C	GTP400
C	HDA402

site_id	AD4
Number of Residues	20
Details	binding site for residue GTP D 400

Chain	Residue
D	ASP13
D	GLU14
D	GLY15
D	LYS16
D	GLY17
D	SER18
D	GLY42
D	HIS43
D	SER44
D	THR252
D	ARG258
D	MET284
D	ASP286
D	LYS287
D	LYS324
D	GLY326
D	PRO327
D	IMP401
D	HDA402
D	MG403

site_id	AD5
Number of Residues	15
Details	binding site for residue IMP D 401

Chain	Residue
C	ARG141
D	TRP11
D	ASP13
D	ASN40
D	ALA41
D	GLY125
D	THR126
D	THR127
D	GLN179
D	LEU183
D	VAL193
D	THR194
D	VAL228
D	GTP400
D	HDA402

site_id	AD6
Number of Residues	11
Details	binding site for residue HDA D 402

Chain	Residue
D	ASP13
D	GLY42
D	VAL228
D	GLY251
D	THR252
D	VAL253
D	THR254
D	ARG256
D	GTP400
D	IMP401
D	MG403

site_id	AD7
Number of Residues	4
Details	binding site for residue MG D 403

Chain	Residue
D	ASP13
D	GLY42
D	GTP400
D	HDA402

site_id	AD8
Number of Residues	19
Details	binding site for residue GTP E 400

Chain	Residue
E	ASP13
E	GLU14
E	GLY15
E	LYS16
E	GLY17
E	SER18
E	GLY42
E	HIS43
E	SER44
E	GLN179
E	THR252
E	ARG258
E	MET284
E	ASP286
E	LYS324
E	GLY326
E	IMP401
E	HDA402
E	MG403

site_id	AD9
Number of Residues	15
Details	binding site for residue IMP E 401

Chain	Residue
E	TRP11
E	ASP13
E	ASN40
E	ALA41
E	GLY125
E	THR126
E	THR127
E	GLN179
E	LEU183
E	VAL193
E	THR194
E	VAL228
E	GTP400
E	HDA402
F	ARG141

site_id	AE1
Number of Residues	11
Details	binding site for residue HDA E 402

Chain	Residue
E	ASP13
E	GLY42
E	VAL228
E	GLY251
E	THR252
E	VAL253
E	THR254
E	ARG258
E	GTP400
E	IMP401
E	MG403

site_id	AE2
Number of Residues	4
Details	binding site for residue MG E 403

Chain	Residue
E	ASP13
E	GLY42
E	GTP400
E	HDA402

site_id	AE3
Number of Residues	20
Details	binding site for residue GTP F 400

Chain	Residue
F	ASP13
F	GLU14
F	GLY15
F	LYS16
F	GLY17
F	SER18
F	GLY42
F	HIS43
F	SER44
F	THR252
F	ARG258
F	MET284
F	ASP286
F	LYS287
F	LYS324
F	GLY326
F	IMP401
F	HDA402
F	MG403
F	HOH502

site_id	AE4
Number of Residues	16
Details	binding site for residue IMP F 401

Chain	Residue
E	ARG141
F	TRP11
F	ASP13
F	ASN40
F	ALA41
F	GLY125
F	THR126
F	THR127
F	GLN179
F	LEU183
F	VAL193
F	THR194
F	VAL228
F	GTP400
F	HDA402
F	HOH502

site_id	AE5
Number of Residues	11
Details	binding site for residue HDA F 402

Chain	Residue
F	ASP13
F	GLY42
F	VAL228
F	GLY251
F	THR252
F	VAL253
F	THR254
F	ARG256
F	GTP400
F	IMP401
F	MG403

site_id	AE6
Number of Residues	4
Details	binding site for residue MG F 403

Chain	Residue
F	ASP13
F	GLY42
F	GTP400
F	HDA402

Functional Information from PROSITE/UniProt

site_id	PS01266
Number of Residues	8
Details	ADENYLOSUCCIN_SYN_1 Adenylosuccinate synthetase GTP-binding site. QWGDEGKG

Chain	Residue	Details
A	GLN10-GLY17

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	ACT_SITE: Proton acceptor => ECO:0000255\|HAMAP-Rule:MF_00011

Chain	Residue	Details
A	ASP13
B	ASP13
C	ASP13
D	ASP13
E	ASP13
F	ASP13

site_id	SWS_FT_FI2
Number of Residues	6
Details	ACT_SITE: Proton donor => ECO:0000255\|HAMAP-Rule:MF_00011

Chain	Residue	Details
A	HIS43
B	HIS43
C	HIS43
D	HIS43
E	HIS43
F	HIS43

site_id	SWS_FT_FI3
Number of Residues	48
Details	BINDING: BINDING => ECO:0000255\|HAMAP-Rule:MF_00011

Chain	Residue	Details
A	GLY12
B	ASP13
B	GLY42
B	ARG141
B	THR252
B	ARG258
B	MET284
B	LYS324
C	GLY12
C	ASP13
C	GLY42
A	ASP13
C	ARG141
C	THR252
C	ARG258
C	MET284
C	LYS324
D	GLY12
D	ASP13
D	GLY42
D	ARG141
D	THR252
A	GLY42
D	ARG258
D	MET284
D	LYS324
E	GLY12
E	ASP13
E	GLY42
E	ARG141
E	THR252
E	ARG258
E	MET284
A	ARG141
E	LYS324
F	GLY12
F	ASP13
F	GLY42
F	ARG141
F	THR252
F	ARG258
F	MET284
F	LYS324
A	THR252
A	ARG258
A	MET284
A	LYS324
B	GLY12

site_id	SWS_FT_FI4
Number of Residues	30
Details	BINDING: in other chain => ECO:0000255\|HAMAP-Rule:MF_00011

Chain	Residue	Details
A	ASN40
B	ARG256
C	ASN40
C	THR127
C	GLN179
C	THR194
C	ARG256
D	ASN40
D	THR127
D	GLN179
D	THR194
A	THR127
D	ARG256
E	ASN40
E	THR127
E	GLN179
E	THR194
E	ARG256
F	ASN40
F	THR127
F	GLN179
F	THR194
A	GLN179
F	ARG256
A	THR194
A	ARG256
B	ASN40
B	THR127
B	GLN179
B	THR194

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