Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3FVI

Crystal Structure of Complex of Phospholipase A2 with Octyl Sulfates

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0002446	biological_process	neutrophil mediated immunity
A	0004623	molecular_function	phospholipase A2 activity
A	0005102	molecular_function	signaling receptor binding
A	0005509	molecular_function	calcium ion binding
A	0005543	molecular_function	phospholipid binding
A	0005576	cellular_component	extracellular region
A	0006629	biological_process	lipid metabolic process
A	0006633	biological_process	fatty acid biosynthetic process
A	0006644	biological_process	phospholipid metabolic process
A	0008284	biological_process	positive regulation of cell population proliferation
A	0009986	cellular_component	cell surface
A	0010524	biological_process	positive regulation of calcium ion transport into cytosol
A	0016042	biological_process	lipid catabolic process
A	0016787	molecular_function	hydrolase activity
A	0019370	biological_process	leukotriene biosynthetic process
A	0030593	biological_process	neutrophil chemotaxis
A	0032052	molecular_function	bile acid binding
A	0032652	biological_process	regulation of interleukin-1 production
A	0032757	biological_process	positive regulation of interleukin-8 production
A	0032869	biological_process	cellular response to insulin stimulus
A	0035556	biological_process	intracellular signal transduction
A	0043406	biological_process	positive regulation of MAP kinase activity
A	0045944	biological_process	positive regulation of transcription by RNA polymerase II
A	0046324	biological_process	regulation of glucose import
A	0046470	biological_process	phosphatidylcholine metabolic process
A	0046471	biological_process	phosphatidylglycerol metabolic process
A	0046872	molecular_function	metal ion binding
A	0047498	molecular_function	calcium-dependent phospholipase A2 activity
A	0048146	biological_process	positive regulation of fibroblast proliferation
A	0050482	biological_process	arachidonic acid secretion
A	0050778	biological_process	positive regulation of immune response
A	0051092	biological_process	positive regulation of NF-kappaB transcription factor activity
A	1904635	biological_process	positive regulation of podocyte apoptotic process
B	0002446	biological_process	neutrophil mediated immunity
B	0004623	molecular_function	phospholipase A2 activity
B	0005102	molecular_function	signaling receptor binding
B	0005509	molecular_function	calcium ion binding
B	0005543	molecular_function	phospholipid binding
B	0005576	cellular_component	extracellular region
B	0006629	biological_process	lipid metabolic process
B	0006633	biological_process	fatty acid biosynthetic process
B	0006644	biological_process	phospholipid metabolic process
B	0008284	biological_process	positive regulation of cell population proliferation
B	0009986	cellular_component	cell surface
B	0010524	biological_process	positive regulation of calcium ion transport into cytosol
B	0016042	biological_process	lipid catabolic process
B	0016787	molecular_function	hydrolase activity
B	0019370	biological_process	leukotriene biosynthetic process
B	0030593	biological_process	neutrophil chemotaxis
B	0032052	molecular_function	bile acid binding
B	0032652	biological_process	regulation of interleukin-1 production
B	0032757	biological_process	positive regulation of interleukin-8 production
B	0032869	biological_process	cellular response to insulin stimulus
B	0035556	biological_process	intracellular signal transduction
B	0043406	biological_process	positive regulation of MAP kinase activity
B	0045944	biological_process	positive regulation of transcription by RNA polymerase II
B	0046324	biological_process	regulation of glucose import
B	0046470	biological_process	phosphatidylcholine metabolic process
B	0046471	biological_process	phosphatidylglycerol metabolic process
B	0046872	molecular_function	metal ion binding
B	0047498	molecular_function	calcium-dependent phospholipase A2 activity
B	0048146	biological_process	positive regulation of fibroblast proliferation
B	0050482	biological_process	arachidonic acid secretion
B	0050778	biological_process	positive regulation of immune response
B	0051092	biological_process	positive regulation of NF-kappaB transcription factor activity
B	1904635	biological_process	positive regulation of podocyte apoptotic process
C	0002446	biological_process	neutrophil mediated immunity
C	0004623	molecular_function	phospholipase A2 activity
C	0005102	molecular_function	signaling receptor binding
C	0005509	molecular_function	calcium ion binding
C	0005543	molecular_function	phospholipid binding
C	0005576	cellular_component	extracellular region
C	0006629	biological_process	lipid metabolic process
C	0006633	biological_process	fatty acid biosynthetic process
C	0006644	biological_process	phospholipid metabolic process
C	0008284	biological_process	positive regulation of cell population proliferation
C	0009986	cellular_component	cell surface
C	0010524	biological_process	positive regulation of calcium ion transport into cytosol
C	0016042	biological_process	lipid catabolic process
C	0016787	molecular_function	hydrolase activity
C	0019370	biological_process	leukotriene biosynthetic process
C	0030593	biological_process	neutrophil chemotaxis
C	0032052	molecular_function	bile acid binding
C	0032652	biological_process	regulation of interleukin-1 production
C	0032757	biological_process	positive regulation of interleukin-8 production
C	0032869	biological_process	cellular response to insulin stimulus
C	0035556	biological_process	intracellular signal transduction
C	0043406	biological_process	positive regulation of MAP kinase activity
C	0045944	biological_process	positive regulation of transcription by RNA polymerase II
C	0046324	biological_process	regulation of glucose import
C	0046470	biological_process	phosphatidylcholine metabolic process
C	0046471	biological_process	phosphatidylglycerol metabolic process
C	0046872	molecular_function	metal ion binding
C	0047498	molecular_function	calcium-dependent phospholipase A2 activity
C	0048146	biological_process	positive regulation of fibroblast proliferation
C	0050482	biological_process	arachidonic acid secretion
C	0050778	biological_process	positive regulation of immune response
C	0051092	biological_process	positive regulation of NF-kappaB transcription factor activity
C	1904635	biological_process	positive regulation of podocyte apoptotic process
D	0002446	biological_process	neutrophil mediated immunity
D	0004623	molecular_function	phospholipase A2 activity
D	0005102	molecular_function	signaling receptor binding
D	0005509	molecular_function	calcium ion binding
D	0005543	molecular_function	phospholipid binding
D	0005576	cellular_component	extracellular region
D	0006629	biological_process	lipid metabolic process
D	0006633	biological_process	fatty acid biosynthetic process
D	0006644	biological_process	phospholipid metabolic process
D	0008284	biological_process	positive regulation of cell population proliferation
D	0009986	cellular_component	cell surface
D	0010524	biological_process	positive regulation of calcium ion transport into cytosol
D	0016042	biological_process	lipid catabolic process
D	0016787	molecular_function	hydrolase activity
D	0019370	biological_process	leukotriene biosynthetic process
D	0030593	biological_process	neutrophil chemotaxis
D	0032052	molecular_function	bile acid binding
D	0032652	biological_process	regulation of interleukin-1 production
D	0032757	biological_process	positive regulation of interleukin-8 production
D	0032869	biological_process	cellular response to insulin stimulus
D	0035556	biological_process	intracellular signal transduction
D	0043406	biological_process	positive regulation of MAP kinase activity
D	0045944	biological_process	positive regulation of transcription by RNA polymerase II
D	0046324	biological_process	regulation of glucose import
D	0046470	biological_process	phosphatidylcholine metabolic process
D	0046471	biological_process	phosphatidylglycerol metabolic process
D	0046872	molecular_function	metal ion binding
D	0047498	molecular_function	calcium-dependent phospholipase A2 activity
D	0048146	biological_process	positive regulation of fibroblast proliferation
D	0050482	biological_process	arachidonic acid secretion
D	0050778	biological_process	positive regulation of immune response
D	0051092	biological_process	positive regulation of NF-kappaB transcription factor activity
D	1904635	biological_process	positive regulation of podocyte apoptotic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA A 125

Chain	Residue
A	TYR28
A	GLY30
A	GLY32
A	ASP49
A	CL126

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 126

Chain	Residue
A	ASP49
A	TYR69
A	CA125

site_id	AC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE OSF A 127

Chain	Residue
A	TRP3
A	ASN23
B	HIS17
B	OSF128
C	OSF127
D	OSF130
A	LEU2

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA B 125

Chain	Residue
B	TYR28
B	GLY30
B	GLY32
B	ASP49
B	OSF127

site_id	AC5
Number of Residues	8
Details	BINDING SITE FOR RESIDUE OSF B 126

Chain	Residue
B	ARG6
B	HIS17
B	PRO18
B	LEU19
B	MET20
B	OSF128
C	LEU64
C	THR70

site_id	AC6
Number of Residues	14
Details	BINDING SITE FOR RESIDUE OSF B 127

Chain	Residue
B	LEU2
B	PHE5
B	ARG6
B	LEU19
B	PHE22
B	TYR28
B	CYS29
B	GLY30
B	CYS45
B	HIS48
B	ASP49
B	TYR69
B	CA125
D	OSF128

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE OSF B 128

Chain	Residue
A	ARG6
A	OSF127
B	ARG6
B	LYS10
B	OSF126

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA C 125

Chain	Residue
C	TYR28
C	GLY30
C	GLY32
C	ASP49
C	OSF128

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE OSF C 126

Chain	Residue
B	LEU19
B	ASN23
C	PHE63
C	LEU64
C	VAL65
D	LEU2
D	TRP3
D	ASN23

site_id	BC1
Number of Residues	9
Details	BINDING SITE FOR RESIDUE OSF C 127

Chain	Residue
A	TYR69
A	THR70
A	OSF127
C	ARG6
C	HIS17
C	PRO18
C	LEU19
C	MET20
C	HOH138

site_id	BC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE OSF C 128

Chain	Residue
C	PHE5
C	ARG6
C	PRO18
C	LEU19
C	TYR28
C	CYS29
C	GLY30
C	HIS48
C	TYR69
C	CA125
D	LEU64
D	OSF130

site_id	BC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE OSF C 129

Chain	Residue
C	ASN24
C	LEU31
C	THR120
D	LYS56
D	ASN57
D	ASP59
D	CYS61
D	LYS62

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA D 125

Chain	Residue
D	TYR28
D	GLY30
D	GLY32
D	ASP49
D	OSF129

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CL D 127

Chain	Residue
C	LYS56
C	ASN67
D	LYS56
D	ASN67

site_id	BC6
Number of Residues	9
Details	BINDING SITE FOR RESIDUE OSF D 128

Chain	Residue
B	ASN67
B	TYR69
B	OSF127
D	ARG6
D	HIS17
D	PRO18
D	LEU19
D	MET20
B	ASN23

site_id	BC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE OSF D 129

Chain	Residue
D	ARG6
D	PRO18
D	LEU19
D	TYR28
D	CYS29
D	GLY30
D	CYS45
D	HIS48
D	ASP49
D	TYR69
D	CA125

site_id	BC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE OSF D 130

Chain	Residue
A	OSF127
C	LEU2
C	TRP3
C	LEU19
C	ASN23
C	OSF128
D	PHE63
D	LEU64
D	VAL65

site_id	BC9
Number of Residues	10
Details	BINDING SITE FOR RESIDUE OSF D 131

Chain	Residue
B	LYS121
C	LYS56
C	ASN57
C	LEU58
C	ASP59
C	CYS61
C	LYS62
D	ASN24
D	LEU31
D	THR120

Functional Information from PROSITE/UniProt

site_id	PS00118
Number of Residues	8
Details	PA2_HIS Phospholipase A2 histidine active site. CCEtHDnC

Chain	Residue	Details
A	CYS44-CYS51

site_id	PS00119
Number of Residues	11
Details	PA2_ASP Phospholipase A2 aspartic acid active site. ICNCDRNAaIC

Chain	Residue	Details
A	ILE95-CYS105

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	ACT_SITE: ACT_SITE => ECO:0000269\|PubMed:6876174

Chain	Residue	Details
A	HIS48
A	ASP99
B	HIS48
B	ASP99
C	HIS48
C	ASP99
D	HIS48
D	ASP99

site_id	SWS_FT_FI2
Number of Residues	16
Details	BINDING: BINDING => ECO:0000250\|UniProtKB:P00593

Chain	Residue	Details
A	TYR28
C	GLY30
C	GLY32
C	ASP49
D	TYR28
D	GLY30
D	GLY32
D	ASP49
A	GLY30
A	GLY32
A	ASP49
B	TYR28
B	GLY30
B	GLY32
B	ASP49
C	TYR28

site_id	SWS_FT_FI3
Number of Residues	4
Details	LIPID: N6-palmitoyl lysine => ECO:0000269\|PubMed:2498336

Chain	Residue	Details
A	LYS56
B	LYS56
C	LYS56
D	LYS56

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	8
Details	M-CSA 83

Chain	Residue	Details
A	TYR28	metal ligand
A	GLY30	metal ligand
A	GLY32	metal ligand
A	HIS48	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	ASP49	metal ligand
A	TYR52	electrostatic stabiliser, hydrogen bond donor
A	TYR73	electrostatic stabiliser, hydrogen bond donor
A	ASP99	electrostatic stabiliser, hydrogen bond acceptor

site_id	MCSA2
Number of Residues	8
Details	M-CSA 83

Chain	Residue	Details
B	TYR28	metal ligand
B	GLY30	metal ligand
B	GLY32	metal ligand
B	HIS48	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
B	ASP49	metal ligand
B	TYR52	electrostatic stabiliser, hydrogen bond donor
B	TYR73	electrostatic stabiliser, hydrogen bond donor
B	ASP99	electrostatic stabiliser, hydrogen bond acceptor

site_id	MCSA3
Number of Residues	8
Details	M-CSA 83

Chain	Residue	Details
C	TYR28	metal ligand
C	GLY30	metal ligand
C	GLY32	metal ligand
C	HIS48	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	ASP49	metal ligand
C	TYR52	electrostatic stabiliser, hydrogen bond donor
C	TYR73	electrostatic stabiliser, hydrogen bond donor
C	ASP99	electrostatic stabiliser, hydrogen bond acceptor

site_id	MCSA4
Number of Residues	8
Details	M-CSA 83

Chain	Residue	Details
D	TYR28	metal ligand
D	GLY30	metal ligand
D	GLY32	metal ligand
D	HIS48	electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
D	ASP49	metal ligand
D	TYR52	electrostatic stabiliser, hydrogen bond donor
D	TYR73	electrostatic stabiliser, hydrogen bond donor
D	ASP99	electrostatic stabiliser, hydrogen bond acceptor

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