Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5AIS

Complex of human hematopoietic prostagandin D2 synthase (hH-PGDS) in complex with an active site inhibitor.

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	9
Details	BINDING SITE FOR RESIDUE CWC C 1200

Chain	Residue
C	PHE9
C	MET11
C	GLY13
C	ARG14
C	ASP96
C	MET99
C	TRP104
C	TYR152
C	GSH1201

site_id	AC2
Number of Residues	13
Details	BINDING SITE FOR RESIDUE CWC D 1200

Chain	Residue
D	PHE9
D	MET11
D	GLY13
D	ARG14
D	GLN36
D	ASP96
D	MET99
D	TRP104
D	TYR152
D	LEU199
D	GSH1202
D	HOH2006
D	HOH2032

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE CWC A 1200

Chain	Residue
A	MET11
A	GLY13
A	ARG14
A	ASP96
A	MET99
A	TRP104
A	TYR152
A	GSH1201

site_id	AC4
Number of Residues	11
Details	BINDING SITE FOR RESIDUE CWC B 1200

Chain	Residue
B	TYR8
B	MET11
B	GLY13
B	ARG14
B	GLN36
B	ASP96
B	MET99
B	TRP104
B	TYR152
B	GSH1202
B	HOH2012

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG D 1201

Chain	Residue
C	HOH2043
C	HOH2045
C	HOH2049
D	HOH2029
D	HOH2030
D	HOH2031

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MG B 1201

Chain	Residue
A	HOH2044
A	HOH2045
A	HOH2049
B	HOH2048
B	HOH2051
B	HOH2052

site_id	AC7
Number of Residues	10
Details	BINDING SITE FOR RESIDUE GSH D 1202

Chain	Residue
C	ASP97
D	TYR8
D	ARG14
D	TRP39
D	LYS50
D	ILE51
D	GLN63
D	SER64
D	CWC1200
D	HOH2022

site_id	AC8
Number of Residues	14
Details	BINDING SITE FOR RESIDUE GSH C 1201

Chain	Residue
C	TYR8
C	ARG14
C	TRP39
C	LYS43
C	LYS50
C	ILE51
C	PRO52
C	GLN63
C	SER64
C	CWC1200
C	HOH2009
C	HOH2027
C	HOH2048
D	ASP97

site_id	AC9
Number of Residues	14
Details	BINDING SITE FOR RESIDUE GSH B 1202

Chain	Residue
A	ASP97
B	TYR8
B	ARG14
B	TRP39
B	LYS43
B	LYS50
B	ILE51
B	PRO52
B	GLN63
B	SER64
B	CWC1200
B	HOH2015
B	HOH2016
B	HOH2034

site_id	BC1
Number of Residues	13
Details	BINDING SITE FOR RESIDUE GSH A 1201

Chain	Residue
A	CWC1200
A	HOH2008
A	HOH2024
A	HOH2050
B	ASP97
A	TYR8
A	ARG14
A	TRP39
A	LYS43
A	LYS50
A	ILE51
A	GLN63
A	SER64

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)