3R0L

Crystal structure of crotoxin

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004623	molecular_function	phospholipase A2 activity
A	0005509	molecular_function	calcium ion binding
A	0006644	biological_process	phospholipid metabolic process
A	0016042	biological_process	lipid catabolic process
A	0050482	biological_process	arachidonate secretion
B	0004623	molecular_function	phospholipase A2 activity
B	0006644	biological_process	phospholipid metabolic process
B	0050482	biological_process	arachidonate secretion
D	0004623	molecular_function	phospholipase A2 activity
D	0005509	molecular_function	calcium ion binding
D	0005543	molecular_function	phospholipid binding
D	0005576	cellular_component	extracellular region
D	0006644	biological_process	phospholipid metabolic process
D	0016042	biological_process	lipid catabolic process
D	0016787	molecular_function	hydrolase activity
D	0035821	biological_process	modulation of process of another organism
D	0042130	biological_process	negative regulation of T cell proliferation
D	0046872	molecular_function	metal ion binding
D	0050482	biological_process	arachidonate secretion
D	0090729	molecular_function	toxin activity
D	0099106	molecular_function	ion channel regulator activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CL B 126

Chain	Residue
B	HOH54
B	ILE73
B	VAL74
D	ASP112
D	HOH181

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MN D 123

Chain	Residue
D	ASP62
D	GLU82
D	HOH187
D	HOH203

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NA D 124

Chain	Residue
D	PHE23
D	GLY25
D	TYR110
D	ASP112
D	HOH131
D	HOH157

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE NA D 125

Chain	Residue
D	TYR27
D	GLY29
D	GLY31
D	ASP48
D	HOH247

---

site_id	AC5
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ACT D 127

Chain	Residue
D	PHE5
D	CYS28
D	GLY29
D	CYS44
D	HIS47
D	HOH277

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
D	CYS43-CYS50
A	CYS43-CYS50

---

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

Chain	Residue	Details
D	ILE85-CYS95
B	ILE85-CYS95

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Site: {"description":"Binds Val-18 of CBb","evidences":[{"source":"PubMed","id":"21787789","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	1
Details	Site: {"description":"Binds Arg-14 of CBb","evidences":[{"source":"PubMed","id":"21787789","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Site: {"description":"Binds Gly-31 of CBb","evidences":[{"source":"PubMed","id":"21787789","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	Site: {"description":"Binds Trp-61 of CA2, important for stability (Asp-89)","evidences":[{"source":"PubMed","id":"21787789","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI5
Number of Residues	1
Details	Site: {"description":"Binds Trp-30 of CA2, important for stability (Asp-99)","evidences":[{"source":"PubMed","id":"21787789","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI6
Number of Residues	1
Details	Region: {"description":"Putative region that binds to the R48 receptor (PubMed:21787789)","evidences":[{"source":"PubMed","id":"21787789","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI7
Number of Residues	2
Details	Active site: {"evidences":[{"source":"PubMed","id":"18275084","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI8
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"18275084","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2QOG","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI9
Number of Residues	1
Details	Site: {"description":"Responsible for the weak stability and toxicity","evidences":[{"source":"PubMed","id":"21787789","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI10
Number of Residues	10
Details	Site: {"description":"Putative interfacial binding surface (IBS)","evidences":[{"source":"PubMed","id":"21787789","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI11
Number of Residues	1
Details	Site: {"description":"Binds Q-49 of CBa2","evidences":[{"source":"PubMed","id":"21787789","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI12
Number of Residues	1
Details	Site: {"description":"Binds G-45 of CBa2","evidences":[{"source":"PubMed","id":"21787789","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI13
Number of Residues	1
Details	Site: {"description":"Binds D-105 of CBa2, important for stability (T-31)","evidences":[{"source":"PubMed","id":"21787789","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI14
Number of Residues	1
Details	Site: {"description":"Binds E-93 of CBa2","evidences":[{"source":"PubMed","id":"21787789","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI15
Number of Residues	1
Details	Site: {"description":"Binds D-95 of CBa2, important for stability (T-70)","evidences":[{"source":"PubMed","id":"21787789","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI16
Number of Residues	1
Details	Site: {"description":"Responsible for the higher anticoagulant activity (compared with CBa2)","evidences":[{"source":"PubMed","id":"18062812","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---