2NP0

Crystal structure of the Botulinum neurotoxin type B complexed with synaptotagamin-II ectodomain

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004222	molecular_function	metalloendopeptidase activity
A	0005515	molecular_function	protein binding
A	0005576	cellular_component	extracellular region
A	0006508	biological_process	proteolysis
A	0008237	molecular_function	metallopeptidase activity
A	0008270	molecular_function	zinc ion binding
A	0008289	molecular_function	lipid binding
A	0008320	molecular_function	protein transmembrane transporter activity
A	0016020	cellular_component	membrane
A	0020002	cellular_component	host cell plasma membrane
A	0030430	cellular_component	host cell cytoplasm
A	0035821	biological_process	modulation of process of another organism
A	0044161	cellular_component	host cell cytoplasmic vesicle
A	0044164	cellular_component	host cell cytosol
A	0044221	cellular_component	host cell synapse
A	0044231	cellular_component	host cell presynaptic membrane
A	0046872	molecular_function	metal ion binding
A	0071806	biological_process	protein transmembrane transport
A	0090729	molecular_function	toxin activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE ZN A 1291

Chain	Residue
A	HIS229
A	HIS233
A	GLU267

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site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA A 1292

Chain	Residue
A	PRO276
A	ILE279
A	ASP284
A	ASN483

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site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE CA A 1293

Chain	Residue
A	LYS567
A	HOH1648
A	ALA561
A	PHE564

---

site_id	AC4
Number of Residues	3
Details	BINDING SITE FOR RESIDUE CL A 1294

Chain	Residue
A	LYS1210
A	TYR1212
A	LYS1267

---

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CA A 1295

Chain	Residue
A	GLN258
A	GLU451
A	LEU453
A	HOH1517
A	HOH1677

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Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	ILE226-LEU235

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: ACT_SITE => ECO:0000255|PROSITE-ProRule:PRU10095

Chain	Residue	Details
A	LEU231

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site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:10932256, ECO:0000305|PubMed:1429690, ECO:0007744|PDB:1EPW, ECO:0007744|PDB:1F31, ECO:0007744|PDB:2NP0

Chain	Residue	Details
A	GLU230
A	VAL234

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	BINDING: BINDING => ECO:0000269|PubMed:10932256, ECO:0007744|PDB:1EPW, ECO:0007744|PDB:1F31, ECO:0007744|PDB:2NP0

Chain	Residue	Details
A	LEU268

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	BINDING: BINDING => ECO:0007744|PDB:4KBB

Chain	Residue	Details
A	THR1025

---

site_id	SWS_FT_FI5
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:10932256, ECO:0000305|PubMed:14731268, ECO:0007744|PDB:4KBB

Chain	Residue	Details
A	GLU1189
A	HIS1240

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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	TYR372
A	ARG369
A	GLU267

---

site_id	MCSA1
Number of Residues	5
Details	M-CSA 626

Chain	Residue	Details
A	GLU230	metal ligand
A	LEU231	proton acceptor, proton donor
A	VAL234	metal ligand
A	LEU268	metal ligand
A	ALA370	electrostatic stabiliser

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