Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1JEC

Crystal Structure of ATP Sulfurylase in complex with thiosulfate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000096	biological_process	sulfur amino acid metabolic process
A	0000103	biological_process	sulfate assimilation
A	0000166	molecular_function	nucleotide binding
A	0004781	molecular_function	sulfate adenylyltransferase (ATP) activity
A	0005524	molecular_function	ATP binding
A	0005737	cellular_component	cytoplasm
A	0005739	cellular_component	mitochondrion
A	0016740	molecular_function	transferase activity
A	0016779	molecular_function	nucleotidyltransferase activity
A	0019379	biological_process	sulfate assimilation, phosphoadenylyl sulfate reduction by phosphoadenylyl-sulfate reductase (thioredoxin)
A	0070814	biological_process	hydrogen sulfide biosynthetic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CD A 512

Chain	Residue
A	ASP168
A	HIS235
A	HIS236
A	SO4525
A	ACY535

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CD A 513

Chain	Residue
A	HOH1035
A	PRO39
A	CYS43
A	HOH827
A	HOH966

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CD A 514

Chain	Residue
A	LEU18
A	GLU22
A	HIS319
A	ACY526
A	HOH849

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CD A 515

Chain	Residue
A	GLU182
A	GLU182
A	ACY533
A	ACY533

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CD A 516

Chain	Residue
A	ASP189
A	HIS494
A	ACY527
A	ACY534

site_id	AC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CA A 517

Chain	Residue
A	ASP151

site_id	AC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CD A 518

Chain	Residue
A	GLU409
A	HOH1038

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CA A 519

Chain	Residue
A	LYS297
A	ASP303

site_id	AC9
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA A 520

Chain	Residue
A	ASP489
A	ASP489
A	HOH603
A	HOH615
A	HOH615
A	HOH856

site_id	BC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A 521

Chain	Residue
A	GLU46
A	PRO164
A	HIS166
A	HOH1026

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NA A 1522

Chain	Residue
A	ASP309
A	HOH911

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 1537

Chain	Residue
A	HIS204
A	HOH723
A	HOH770
A	HOH944

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NA A 1538

Chain	Residue
A	ASP322
A	HOH703
A	HOH796
A	HOH802

site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE CD A 600

Chain	Residue
A	THJ540
A	HOH1033

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 A 525

Chain	Residue
A	HIS166
A	ASP168
A	ARG173
A	SER417
A	CD512
A	ACY535

site_id	BC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE THJ A 540

Chain	Residue
A	GLN195
A	THR196
A	ARG197
A	MET263
A	HIS292
A	ALA293
A	CD600
A	HOH637
A	HOH638

site_id	BC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE ACY A 526

Chain	Residue
A	ALA17
A	LEU18
A	LYS20
A	ASN21
A	GLU22
A	HIS319
A	CD514
A	HOH825
A	HOH849

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ACY A 527

Chain	Residue
A	GLN187
A	ASP189
A	PRO491
A	SER493
A	HIS494
A	CD516
A	ACY534

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACY A 528

Chain	Residue
A	ASN216
A	GLU490
A	PRO491
A	HIS494

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACY A 529

Chain	Residue
A	LYS174
A	LEU181
A	GLU182
A	GLU182
A	SER185

site_id	CC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ACY A 530

Chain	Residue
A	GLU130
A	ARG134

site_id	CC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ACY A 531

Chain	Residue
A	PRO55
A	THR57
A	ASP64
A	HOH801

site_id	CC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ACY A 532

Chain	Residue
A	THR70
A	ASP71
A	ASP71

site_id	CC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE ACY A 533

Chain	Residue
A	GLY171
A	LYS174
A	GLU182
A	GLU182
A	ARG186
A	PHE255
A	CD515
A	CD515

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACY A 534

Chain	Residue
A	ASP189
A	HIS494
A	CD516
A	ACY527
A	HOH678

site_id	CC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ACY A 535

Chain	Residue
A	HIS236
A	SER417
A	CD512
A	SO4525
A	HOH1034

site_id	CC9
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ACY A 536

Chain	Residue
A	ASN251
A	HOH667

site_id	DC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACY A 537

Chain	Residue
A	GLY425
A	SER449
A	SER449
A	HOH602
A	HOH672
A	HOH1006

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	225
Details	Region: {"description":"Catalytic","evidences":[{"source":"HAMAP-Rule","id":"MF_03106","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"11157739","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	117
Details	Region: {"description":"Required for oligomerization; adenylyl-sulfate kinase-like","evidences":[{"source":"HAMAP-Rule","id":"MF_03106","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"14983089","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	3
Details	Active site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_03106","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"11157739","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI4
Number of Residues	10
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_03106","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"11157739","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI5
Number of Residues	2
Details	Site: {"description":"Transition state stabilizer","evidences":[{"source":"HAMAP-Rule","id":"MF_03106","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"11157739","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI6
Number of Residues	1
Details	Site: {"description":"Induces change in substrate recognition on ATP binding","evidences":[{"source":"HAMAP-Rule","id":"MF_03106","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"11157739","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1j70

Chain	Residue	Details
A	HIS204
A	HIS201
A	ARG197

site_id	CSA2
Number of Residues	1
Details	Annotated By Reference To The Literature 1j70

Chain	Residue	Details
A	ARG290

site_id	MCSA1
Number of Residues	5
Details	M-CSA 287

Chain	Residue	Details
A	THR196	electrostatic stabiliser, hydrogen bond donor, steric role
A	ARG197	electrostatic stabiliser, hydrogen bond donor, steric role
A	HIS201	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	HIS204	electrostatic stabiliser
A	ARG290	electrostatic stabiliser

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