4EL4

Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134S/C165S double mutant

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	5
Details	BINDING SITE FOR RESIDUE ZN A 501

Chain	Residue
A	HIS223
A	HIS227
A	GLU262
A	HOH640
A	HOH816

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site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 502

Chain	Residue
A	HOH940
A	HOH1158
A	GLU198
A	SER199
A	LEU200
A	HOH766

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE IMD A 503

Chain	Residue
A	ARG363
A	TYR366
A	ASN368
A	ASP370

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE IMD A 504

Chain	Residue
A	ILE237
A	ASN238
A	ARG241
A	PHE282
A	TYR286

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO A 505

Chain	Residue
A	LYS375
A	ILE376
A	ASN377
A	ASN412
A	PHE413
A	THR414
A	HOH678

---

site_id	AC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 506

Chain	Residue
A	LYS415
A	ASN418
A	HOH709
A	HOH870
A	HOH1020
A	HOH1126

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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. TLAHELIHAG

Chain	Residue	Details
A	THR220-GLY229

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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	GLU224

---

site_id	SWS_FT_FI2
Number of Residues	2
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:17173035, ECO:0000305|PubMed:9783750, ECO:0007744|PDB:2NYY, ECO:0007744|PDB:2NZ9, ECO:0007744|PDB:3BTA, ECO:0007744|PDB:3QIX, ECO:0007744|PDB:3QIY, ECO:0007744|PDB:3QIZ, ECO:0007744|PDB:3QJ0

Chain	Residue	Details
A	HIS223
A	HIS227

---

site_id	SWS_FT_FI3
Number of Residues	1
Details	BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU10095, ECO:0000269|PubMed:17173035, ECO:0007744|PDB:2NYY, ECO:0007744|PDB:2NZ9, ECO:0007744|PDB:3BTA, ECO:0007744|PDB:3QIX, ECO:0007744|PDB:3QIY, ECO:0007744|PDB:3QIZ, ECO:0007744|PDB:3QJ0

Chain	Residue	Details
A	GLU262

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	SITE: Transition state stabilizer => ECO:0000305|PubMed:11827515

Chain	Residue	Details
A	ARG363
A	TYR366

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