2A97

Crystal structure of catalytic domain of Clostridium botulinum neurotoxin serotype F

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004222	molecular_function	metalloendopeptidase activity
A	0006508	biological_process	proteolysis
A	0008270	molecular_function	zinc ion binding
B	0004222	molecular_function	metalloendopeptidase activity
B	0006508	biological_process	proteolysis
B	0008270	molecular_function	zinc ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 1437

Chain	Residue
A	HIS227
A	HIS231
A	GLU266
A	HOH5595

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 2437

Chain	Residue
B	HIS227
B	HIS231
B	GLU266
B	HOH5596

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CD A 5500

Chain	Residue
A	ASP383
A	HOH5510
B	ASP383
B	HOH5621

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CD A 5502

Chain	Residue
A	ASP121
A	HOH5574
A	HOH5596
B	HOH5583

---

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CD B 5503

Chain	Residue
B	HOH5550
B	HOH5582
B	HOH5602

---

site_id	AC6
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CD A 5504

Chain	Residue
A	GLU127

---

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CD B 5505

Chain	Residue
B	ASP121
B	HOH5622
B	HOH5623
B	HOH5624
B	HOH5632

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CD A 5506

Chain	Residue
A	GLU246
B	HIS122
B	HOH5506
B	HOH5584

---

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CD A 5507

Chain	Residue
A	HIS122
B	GLU246
B	HOH5611
B	HOH5620

---

site_id	CDA
Number of Residues	3
Details	FIRST CADMIUM BINDING SITE

Chain	Residue
B	HOH5550
B	HOH5602
B	HOH5582

---

site_id	CDB
Number of Residues	4
Details	SECOND CADMIUM BINDING SITE

Chain	Residue
B	ASP121
B	HOH5588
B	HOH5584
B	HOH5509

---

site_id	CDD
Number of Residues	1
Details	FOURT CADMIUM BINDING SITE

Chain	Residue
A	ASP121

---

site_id	CDE
Number of Residues	1
Details	FIFTH CADMIUM BINDING SITE

Chain	Residue
A	ASP383

---

site_id	CDF
Number of Residues	1
Details	SIXTH CADMIUM BINDING SITE

Chain	Residue
A	HIS122

---

site_id	ZNA
Number of Residues	4
Details	FIRST ZINC BINDING SITE

Chain	Residue
A	HIS227
A	HIS231
A	GLU266
A	HOH5595

---

site_id	ZNB
Number of Residues	4
Details	SECOND ZINC BINDING SITE

Chain	Residue
B	HIS227
B	HIS231
B	GLU266
B	HOH5596

---

Functional Information from PROSITE/UniProt

site_id	PS00142
Number of Residues	10
Details	ZINC_PROTEASE Neutral zinc metallopeptidases, zinc-binding region signature. SLAHELIHAL

Chain	Residue	Details
A	SER224-LEU233

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10095","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10095","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"16128577","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2A8A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2A97","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	Binding site: {"evidences":[{"source":"PubMed","id":"16128577","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2A8A","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2A97","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1i1e

Chain	Residue	Details
A	TYR368
A	GLU266
A	ARG365

---

site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1i1e

Chain	Residue	Details
B	TYR368
B	GLU266
B	ARG365

---