6DIK

Crystal structure of Bothropstoxin I (BthTX-I) complexed to Chicoric acid

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004623	molecular_function	phospholipase A2 activity
A	0005509	molecular_function	calcium ion binding
A	0005543	molecular_function	phospholipid binding
A	0005576	cellular_component	extracellular region
A	0006644	biological_process	phospholipid metabolic process
A	0008201	molecular_function	heparin binding
A	0016042	biological_process	lipid catabolic process
A	0035821	biological_process	modulation of process of another organism
A	0042130	biological_process	negative regulation of T cell proliferation
A	0042742	biological_process	defense response to bacterium
A	0047498	molecular_function	calcium-dependent phospholipase A2 activity
A	0050482	biological_process	arachidonic acid secretion
A	0090729	molecular_function	toxin activity
B	0004623	molecular_function	phospholipase A2 activity
B	0005509	molecular_function	calcium ion binding
B	0005543	molecular_function	phospholipid binding
B	0005576	cellular_component	extracellular region
B	0006644	biological_process	phospholipid metabolic process
B	0008201	molecular_function	heparin binding
B	0016042	biological_process	lipid catabolic process
B	0035821	biological_process	modulation of process of another organism
B	0042130	biological_process	negative regulation of T cell proliferation
B	0042742	biological_process	defense response to bacterium
B	0047498	molecular_function	calcium-dependent phospholipase A2 activity
B	0050482	biological_process	arachidonic acid secretion
B	0090729	molecular_function	toxin activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	binding site for residue GKP A 201

Chain	Residue
A	LEU2
A	HOH325
B	PRO123
A	PHE3
A	GLY6
A	LYS7
A	PRO18
A	HOH302
A	HOH305
A	HOH306
A	HOH322

---

site_id	AC2
Number of Residues	4
Details	binding site for residue SO4 A 202

Chain	Residue
A	LYS20
A	LYS115
A	ARG118
A	SO4203

---

site_id	AC3
Number of Residues	7
Details	binding site for residue SO4 A 203

Chain	Residue
A	LYS16
A	ASN17
A	LYS20
A	SO4202
A	HOH301
A	HOH315
A	HOH359

---

site_id	AC4
Number of Residues	3
Details	binding site for residue SO4 A 204

Chain	Residue
A	ARG34
A	LYS53
A	HOH341

---

site_id	AC5
Number of Residues	3
Details	binding site for residue SO4 B 201

Chain	Residue
B	GLY33
B	ARG34
B	LYS53

---

site_id	AC6
Number of Residues	3
Details	binding site for residue SO4 B 202

Chain	Residue
B	THR59
B	LYS115
B	ARG118

---

site_id	AC7
Number of Residues	1
Details	binding site for residue BCT B 203

Chain	Residue
B	ARG107

---

site_id	AC8
Number of Residues	1
Details	binding site for residue EOH B 204

Chain	Residue
B	PRO18

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	CYS44-CYS51

---

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

Chain	Residue	Details
A	LEU95-CYS105

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	SITE: Important residue of the cationic membrane-docking site (MDoS) => ECO:0000250|UniProtKB:I6L8L6

Chain	Residue	Details
A	LYS115
A	ARG118
B	LYS115
B	ARG118

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	SITE: Hydrophobic membrane-disruption site (MDiS) => ECO:0000250|UniProtKB:I6L8L6

Chain	Residue	Details
A	LEU121
A	PHE125
B	LEU121
B	PHE125

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	SITE: Cationic membrane-docking site (MDoS) => ECO:0000250|UniProtKB:I6L8L6

Chain	Residue	Details
A	LYS122
A	LYS129
B	LYS122
B	LYS129

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