Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3VI7

Human hematopoietic prostaglandin D synthase inhibitor complex structures

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000287	molecular_function	magnesium ion binding
A	0001516	biological_process	prostaglandin biosynthetic process
A	0004364	molecular_function	glutathione transferase activity
A	0004667	molecular_function	prostaglandin-D synthase activity
A	0005509	molecular_function	calcium ion binding
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006629	biological_process	lipid metabolic process
A	0006631	biological_process	fatty acid metabolic process
A	0006633	biological_process	fatty acid biosynthetic process
A	0006693	biological_process	prostaglandin metabolic process
A	0006749	biological_process	glutathione metabolic process
A	0007165	biological_process	signal transduction
A	0007626	biological_process	locomotory behavior
A	0016740	molecular_function	transferase activity
A	0016853	molecular_function	isomerase activity
A	0019371	biological_process	cyclooxygenase pathway
A	0042803	molecular_function	protein homodimerization activity
A	0046872	molecular_function	metal ion binding
B	0000287	molecular_function	magnesium ion binding
B	0001516	biological_process	prostaglandin biosynthetic process
B	0004364	molecular_function	glutathione transferase activity
B	0004667	molecular_function	prostaglandin-D synthase activity
B	0005509	molecular_function	calcium ion binding
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006629	biological_process	lipid metabolic process
B	0006631	biological_process	fatty acid metabolic process
B	0006633	biological_process	fatty acid biosynthetic process
B	0006693	biological_process	prostaglandin metabolic process
B	0006749	biological_process	glutathione metabolic process
B	0007165	biological_process	signal transduction
B	0007626	biological_process	locomotory behavior
B	0016740	molecular_function	transferase activity
B	0016853	molecular_function	isomerase activity
B	0019371	biological_process	cyclooxygenase pathway
B	0042803	molecular_function	protein homodimerization activity
B	0046872	molecular_function	metal ion binding
C	0000287	molecular_function	magnesium ion binding
C	0001516	biological_process	prostaglandin biosynthetic process
C	0004364	molecular_function	glutathione transferase activity
C	0004667	molecular_function	prostaglandin-D synthase activity
C	0005509	molecular_function	calcium ion binding
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006629	biological_process	lipid metabolic process
C	0006631	biological_process	fatty acid metabolic process
C	0006633	biological_process	fatty acid biosynthetic process
C	0006693	biological_process	prostaglandin metabolic process
C	0006749	biological_process	glutathione metabolic process
C	0007165	biological_process	signal transduction
C	0007626	biological_process	locomotory behavior
C	0016740	molecular_function	transferase activity
C	0016853	molecular_function	isomerase activity
C	0019371	biological_process	cyclooxygenase pathway
C	0042803	molecular_function	protein homodimerization activity
C	0046872	molecular_function	metal ion binding
D	0000287	molecular_function	magnesium ion binding
D	0001516	biological_process	prostaglandin biosynthetic process
D	0004364	molecular_function	glutathione transferase activity
D	0004667	molecular_function	prostaglandin-D synthase activity
D	0005509	molecular_function	calcium ion binding
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006629	biological_process	lipid metabolic process
D	0006631	biological_process	fatty acid metabolic process
D	0006633	biological_process	fatty acid biosynthetic process
D	0006693	biological_process	prostaglandin metabolic process
D	0006749	biological_process	glutathione metabolic process
D	0007165	biological_process	signal transduction
D	0007626	biological_process	locomotory behavior
D	0016740	molecular_function	transferase activity
D	0016853	molecular_function	isomerase activity
D	0019371	biological_process	cyclooxygenase pathway
D	0042803	molecular_function	protein homodimerization activity
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE GSH A 200

Chain	Residue
A	TYR8
A	HOH207
A	HOH662
D	ASP697
A	ARG14
A	TRP39
A	LYS50
A	ILE51
A	PRO52
A	GLN63
A	SER64
A	CBD201

site_id	AC2
Number of Residues	17
Details	BINDING SITE FOR RESIDUE CBD A 201

Chain	Residue
A	GLY13
A	ARG14
A	MET99
A	TRP104
A	ALA105
A	GLU106
A	LYS107
A	TYR152
A	CYS156
A	LYS198
A	LEU199
A	GSH200
A	HOH203
A	HOH235
A	HOH288
A	HOH418
A	HOH653

site_id	AC3
Number of Residues	15
Details	BINDING SITE FOR RESIDUE GSH B 400

Chain	Residue
B	HOH71
B	TYR208
B	ARG214
B	TRP239
B	LYS243
B	LYS250
B	ILE251
B	PRO252
B	GLN263
B	SER264
B	CBD401
B	HOH422
B	HOH448
B	HOH850
C	ASP497

site_id	AC4
Number of Residues	19
Details	BINDING SITE FOR RESIDUE CBD B 401

Chain	Residue
B	HOH37
B	PHE209
B	GLY213
B	ARG214
B	ASP296
B	MET299
B	SER300
B	TRP304
B	ALA305
B	GLU306
B	LYS312
B	TYR352
B	CYS356
B	LYS398
B	LEU399
B	GSH400
B	HOH415
B	HOH679
B	HOH868

site_id	AC5
Number of Residues	15
Details	BINDING SITE FOR RESIDUE GSH C 600

Chain	Residue
B	ASP297
C	HOH103
C	HOH282
C	HOH296
C	HOH309
C	TYR408
C	ARG414
C	TRP439
C	LYS443
C	LYS450
C	ILE451
C	PRO452
C	GLN463
C	SER464
C	HOH758

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA C 902

Chain	Residue
B	HOH42
B	HOH462
B	HOH505
C	HOH165
C	HOH336
C	ASP496

site_id	AC7
Number of Residues	13
Details	BINDING SITE FOR RESIDUE GSH D 800

Chain	Residue
A	ASP97
D	HOH156
D	TYR608
D	ARG614
D	TRP639
D	LYS643
D	GLY649
D	LYS650
D	ILE651
D	PRO652
D	GLN663
D	SER664
D	HOH832

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

Chain	Residue
D	HOH255
D	ASP696
D	HOH835
A	HOH239
A	HOH302

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	308
Details	Domain: {"description":"GST N-terminal"}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	472
Details	Domain: {"description":"GST C-terminal"}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	24
Details	Binding site: {"evidences":[{"source":"PubMed","id":"12627223","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"15113825","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16547010","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18341273","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19939518","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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