Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2OFW

Crystal structure of the APSK domain of human PAPSS1 complexed with 2 APS molecules

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000103	biological_process	sulfate assimilation
A	0004020	molecular_function	adenylylsulfate kinase activity
A	0005524	molecular_function	ATP binding
B	0000103	biological_process	sulfate assimilation
B	0004020	molecular_function	adenylylsulfate kinase activity
B	0005524	molecular_function	ATP binding
C	0000103	biological_process	sulfate assimilation
C	0004020	molecular_function	adenylylsulfate kinase activity
C	0005524	molecular_function	ATP binding
D	0000103	biological_process	sulfate assimilation
D	0004020	molecular_function	adenylylsulfate kinase activity
D	0005524	molecular_function	ATP binding
E	0000103	biological_process	sulfate assimilation
E	0004020	molecular_function	adenylylsulfate kinase activity
E	0005524	molecular_function	ATP binding
F	0000103	biological_process	sulfate assimilation
F	0004020	molecular_function	adenylylsulfate kinase activity
F	0005524	molecular_function	ATP binding
G	0000103	biological_process	sulfate assimilation
G	0004020	molecular_function	adenylylsulfate kinase activity
G	0005524	molecular_function	ATP binding
H	0000103	biological_process	sulfate assimilation
H	0004020	molecular_function	adenylylsulfate kinase activity
H	0005524	molecular_function	ATP binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 1002

Chain	Residue
B	THR66
B	ADX1201
B	HOH1202
B	HOH1203
B	HOH1204
B	HOH1290

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG C 1003

Chain	Residue
C	HOH1303
C	HOH1304
D	HOH1402
C	THR66
C	ADX1301
C	HOH1302

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG D 1004

Chain	Residue
D	THR66
D	ADX1401
D	HOH1403
D	HOH1404
D	HOH1405
D	HOH1406

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MG E 1005

Chain	Residue
E	THR66
E	ADX1501
E	HOH1502
E	HOH1503
E	HOH1504

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG F 1006

Chain	Residue
F	THR66
F	ADX1601
F	HOH1602
F	HOH1603
F	HOH1604
F	HOH1605

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG H 1008

Chain	Residue
H	THR66
H	ADX1801
H	HOH1802
H	HOH1803
H	HOH1805
H	HOH1903

site_id	AC7
Number of Residues	16
Details	BINDING SITE FOR RESIDUE ADX A 1100

Chain	Residue
A	SER61
A	ASP89
A	ARG92
A	PHE101
A	ARG106
A	ASN109
A	PHE131
A	ILE132
A	SER133
A	PRO134
A	LEU173
A	GLY184
A	PHE185
A	THR186
A	HOH1115
A	HOH1150

site_id	AC8
Number of Residues	24
Details	BINDING SITE FOR RESIDUE ADX B 1200

Chain	Residue
A	ASN27
A	VAL28
B	ASP89
B	ARG92
B	PHE101
B	ARG106
B	ASN109
B	PHE131
B	ILE132
B	SER133
B	PRO134
B	LYS171
B	LEU173
B	LYS183
B	GLY184
B	PHE185
B	THR186
B	HOH1205
B	HOH1229
B	HOH1243
B	HOH1261
B	HOH1271
B	HOH1276
B	HOH1290

site_id	AC9
Number of Residues	21
Details	BINDING SITE FOR RESIDUE ADX C 1300

Chain	Residue
C	ASP89
C	ARG92
C	PHE101
C	ARG106
C	ASN109
C	PHE131
C	ILE132
C	SER133
C	PRO134
C	LEU173
C	LYS183
C	GLY184
C	PHE185
C	THR186
C	HOH1302
C	HOH1333
C	HOH1374
C	HOH1385
C	HOH1389
D	THR26
D	ASN27

site_id	BC1
Number of Residues	22
Details	BINDING SITE FOR RESIDUE ADX D 1400

Chain	Residue
D	ASP89
D	ARG92
D	PHE101
D	ARG106
D	ASN109
D	PHE131
D	ILE132
D	SER133
D	PRO134
D	LEU173
D	LYS183
D	GLY184
D	PHE185
D	THR186
D	HOH1430
D	HOH1442
D	HOH1474
D	HOH1481
D	HOH1502
C	THR26
C	ASN27
D	GLY88

site_id	BC2
Number of Residues	19
Details	BINDING SITE FOR RESIDUE ADX E 1500

Chain	Residue
E	ASP89
E	ARG92
E	PHE101
E	ARG106
E	ASN109
E	PHE131
E	ILE132
E	SER133
E	PRO134
E	LEU173
E	LYS183
E	GLY184
E	PHE185
E	THR186
E	HOH1504
E	HOH1521
E	HOH1534
F	THR26
F	ASN27

site_id	BC3
Number of Residues	21
Details	BINDING SITE FOR RESIDUE ADX F 1600

Chain	Residue
E	THR26
E	ASN27
E	VAL28
E	HOH1526
F	ASP89
F	ARG92
F	PHE101
F	ARG106
F	ASN109
F	PHE131
F	ILE132
F	SER133
F	PRO134
F	LEU173
F	GLY184
F	PHE185
F	THR186
F	HOH1605
F	HOH1607
F	HOH1669
F	HOH1692

site_id	BC4
Number of Residues	15
Details	BINDING SITE FOR RESIDUE ADX G 1700

Chain	Residue
G	ARG92
G	PHE101
G	ARG106
G	ASN109
G	PHE131
G	ILE132
G	SER133
G	PRO134
G	LEU173
G	GLY184
G	PHE185
G	THR186
G	HOH1758
G	HOH1765
G	HOH1794

site_id	BC5
Number of Residues	20
Details	BINDING SITE FOR RESIDUE ADX H 1800

Chain	Residue
G	ASN27
G	VAL28
H	ASP89
H	ARG92
H	PHE101
H	ARG106
H	ASN109
H	PHE131
H	ILE132
H	SER133
H	PRO134
H	LEU173
H	LYS183
H	GLY184
H	PHE185
H	THR186
H	HOH1803
H	HOH1804
H	HOH1835
H	HOH1901

site_id	BC6
Number of Residues	12
Details	BINDING SITE FOR RESIDUE ADX A 1101

Chain	Residue
A	GLY62
A	ALA63
A	GLY64
A	LYS65
A	THR66
A	THR67
A	ARG168
A	THR204
A	CYS207
A	VAL209
A	HOH1190
A	HOH1206

site_id	BC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE ADX B 1201

Chain	Residue
B	LEU60
B	GLY62
B	ALA63
B	GLY64
B	LYS65
B	THR66
B	THR67
B	ARG168
B	THR204
B	CYS207
B	ASP208
B	VAL209
B	CYS212
B	MG1002
B	HOH1202
B	HOH1211
B	HOH1283
B	HOH1290

site_id	BC8
Number of Residues	18
Details	BINDING SITE FOR RESIDUE ADX C 1301

Chain	Residue
C	LEU60
C	GLY62
C	ALA63
C	GLY64
C	LYS65
C	THR66
C	THR67
C	ARG168
C	THR204
C	CYS207
C	ASP208
C	VAL209
C	CYS212
C	MG1003
C	HOH1347
C	HOH1364
C	HOH1390
D	HOH1402

site_id	BC9
Number of Residues	18
Details	BINDING SITE FOR RESIDUE ADX D 1401

Chain	Residue
D	LEU60
D	GLY62
D	ALA63
D	GLY64
D	LYS65
D	THR66
D	THR67
D	ARG168
D	THR204
D	CYS207
D	ASP208
D	VAL209
D	CYS212
D	MG1004
D	HOH1404
D	HOH1406
D	HOH1442
D	HOH1483

site_id	CC1
Number of Residues	17
Details	BINDING SITE FOR RESIDUE ADX E 1501

Chain	Residue
E	LEU60
E	GLY62
E	ALA63
E	GLY64
E	LYS65
E	THR66
E	THR67
E	ARG168
E	VAL170
E	THR204
E	CYS207
E	CYS212
E	MG1005
E	HOH1502
E	HOH1504
E	HOH1582
E	HOH1591

site_id	CC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE ADX F 1601

Chain	Residue
F	LEU60
F	GLY62
F	ALA63
F	GLY64
F	LYS65
F	THR66
F	THR67
F	ARG168
F	THR204
F	CYS207
F	ASP208
F	VAL209
F	CYS212
F	MG1006
F	HOH1604
F	HOH1605
F	HOH1634

site_id	CC3
Number of Residues	18
Details	BINDING SITE FOR RESIDUE ADX G 1701

Chain	Residue
G	LEU60
G	GLY62
G	ALA63
G	GLY64
G	LYS65
G	THR66
G	THR67
G	ARG168
G	VAL170
G	THR204
G	CYS207
G	ASP208
G	VAL209
G	CYS212
G	HOH1702
G	HOH1703
G	HOH1704
G	HOH1784

site_id	CC4
Number of Residues	17
Details	BINDING SITE FOR RESIDUE ADX H 1801

Chain	Residue
H	SER61
H	GLY62
H	ALA63
H	GLY64
H	LYS65
H	THR66
H	THR67
H	ARG168
H	THR204
H	CYS207
H	ASP208
H	VAL209
H	CYS212
H	MG1008
H	HOH1803
H	HOH1805
H	HOH1812

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269\|PubMed:15755455, ECO:0000269\|PubMed:17276460, ECO:0000269\|PubMed:17540769, ECO:0007744\|PDB:1X6V, ECO:0007744\|PDB:1XJQ, ECO:0007744\|PDB:1XNJ, ECO:0007744\|PDB:2OFX, ECO:0007744\|PDB:2PEY, ECO:0007744\|PDB:2PEZ

Chain	Residue	Details
A	GLY62
B	GLY62
C	GLY62
D	GLY62
E	GLY62
F	GLY62
G	GLY62
H	GLY62

site_id	SWS_FT_FI2
Number of Residues	24
Details	BINDING: BINDING => ECO:0000305\|PubMed:17276460, ECO:0007744\|PDB:2OFX

Chain	Residue	Details
A	ASP89
D	ASP89
D	PHE101
D	LYS171
E	ASP89
E	PHE101
E	LYS171
F	ASP89
F	PHE101
F	LYS171
G	ASP89
A	PHE101
G	PHE101
G	LYS171
H	ASP89
H	PHE101
H	LYS171
A	LYS171
B	ASP89
B	PHE101
B	LYS171
C	ASP89
C	PHE101
C	LYS171

site_id	SWS_FT_FI3
Number of Residues	24
Details	BINDING: BINDING => ECO:0000305\|PubMed:17276460, ECO:0000305\|PubMed:17540769, ECO:0007744\|PDB:2OFX, ECO:0007744\|PDB:2PEZ

Chain	Residue	Details
A	ARG106
D	ARG106
D	ILE132
D	GLY184
E	ARG106
E	ILE132
E	GLY184
F	ARG106
F	ILE132
F	GLY184
G	ARG106
A	ILE132
G	ILE132
G	GLY184
H	ARG106
H	ILE132
H	GLY184
A	GLY184
B	ARG106
B	ILE132
B	GLY184
C	ARG106
C	ILE132
C	GLY184

site_id	SWS_FT_FI4
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269\|PubMed:15755455, ECO:0000269\|PubMed:17276460, ECO:0000269\|PubMed:17540769, ECO:0007744\|PDB:1X6V, ECO:0007744\|PDB:1XJQ, ECO:0007744\|PDB:1XNJ, ECO:0007744\|PDB:2OFW, ECO:0007744\|PDB:2OFX, ECO:0007744\|PDB:2PEY, ECO:0007744\|PDB:2PEZ

Chain	Residue	Details
A	CYS207
B	CYS207
C	CYS207
D	CYS207
E	CYS207
F	CYS207
G	CYS207
H	CYS207

site_id	SWS_FT_FI5
Number of Residues	8
Details	BINDING: BINDING => ECO:0000269\|PubMed:17276460, ECO:0007744\|PDB:2OFX

Chain	Residue	Details
A	CYS212
B	CYS212
C	CYS212
D	CYS212
E	CYS212
F	CYS212
G	CYS212
H	CYS212

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