2G7N

Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to small Molecule Inhibitors

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ZN A 455

Chain	Residue
A	HIS222
A	GLU261
A	HOH673

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site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE AG A 451

Chain	Residue
A	CYS133
A	SER145
A	AG454

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site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE AG A 452

Chain	Residue
A	AG453
A	GLU163
A	CYS164
A	GLU223

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE AG A 453

Chain	Residue
A	CYS164
A	HIS226
A	ALA227
A	ARG230
A	AG452

---

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE AG A 454

Chain	Residue
A	ASP130
A	CYS133
A	AG451

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	Active site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU10095","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	3
Details	Binding site: {"evidences":[{"source":"PubMed","id":"15107500","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"16846233","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2G7P","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"2G7Q","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	Site: {"description":"Transition state stabilizer","evidences":[{"source":"PubMed","id":"16846233","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

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Catalytic Information from CSA

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

Chain	Residue	Details
A	ARG362
A	GLU261
A	TYR365

---