1QWZ

Crystal structure of Sortase B from S. aureus complexed with MTSET

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	BINDING SITE FOR RESIDUE NI A 246

Chain	Residue
A	HIS17
A	HIS17

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site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NI A 247

Chain	Residue
A	HIS15
A	HIS17
A	HIS19
A	HOH251

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site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NI A 248

Chain	Residue
A	ASP197
A	HIS11
A	HIS13
A	HIS104

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site_id	AC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE NI A 249

Chain	Residue
A	HIS19

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site_id	AC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE SO4 A 250

Chain	Residue
A	HIS19
A	HIS20
A	SER21
A	HIS24
A	THR91
A	ASN92
A	HIS93
A	PHE114
A	ETM245
A	HOH304
A	HOH399

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site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE ETM A 245

Chain	Residue
A	ASN92
A	ASN180
A	CYS223
A	GLU224
A	ARG233
A	SO4250
A	HOH304

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Acyl-thioester intermediate => ECO:0000305|PubMed:14725770

Chain	Residue	Details
A	CYS223

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site_id	SWS_FT_FI2
Number of Residues	1
Details	SITE: Transition state stabilizer => ECO:0000305|PubMed:14725770, ECO:0000305|PubMed:24519933

Chain	Residue	Details
A	ARG233

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