3NDE

Crystal Structure of BlaC-E166A covalently bound with Cephalotin

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005576	cellular_component	extracellular region
A	0005886	cellular_component	plasma membrane
A	0008800	molecular_function	beta-lactamase activity
A	0016787	molecular_function	hydrolase activity
A	0017001	biological_process	antibiotic catabolic process
A	0030655	biological_process	beta-lactam antibiotic catabolic process
A	0033250	molecular_function	penicillinase activity
A	0033251	molecular_function	cephalosporinase activity
A	0042597	cellular_component	periplasmic space
A	0046677	biological_process	response to antibiotic

Functional Information from PDB Data

site_id	AC1
Number of Residues	10
Details	BINDING SITE FOR RESIDUE PO4 A 1

Chain	Residue
A	ARG79
A	HOH663
A	ARG187
A	GLU193
A	ASP255
A	TYR286
A	9EP308
A	HOH403
A	HOH415
A	HOH447

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site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE PO4 A 2

Chain	Residue
A	ARG75
A	GLU78
A	GLU184
A	HOH627

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site_id	AC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE 9EP A 308

Chain	Residue
A	PO41
A	CYS83
A	SER84
A	ILE117
A	SER142
A	ASN186
A	GLU193
A	ARG236
A	LYS250
A	THR251
A	GLY252
A	THR253
A	GLY254
A	HOH409
A	HOH433
A	HOH672

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Functional Information from PROSITE/UniProt

site_id	PS00146
Number of Residues	16
Details	BETA_LACTAMASE_A Beta-lactamase class-A active site. FaFCSTfKaplVAAVL

Chain	Residue	Details
A	PHE80-LEU95

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	1
Details	ACT_SITE: Acyl-ester intermediate => ECO:0000269|PubMed:19251630, ECO:0000269|PubMed:20353175, ECO:0000269|PubMed:20961112

Chain	Residue	Details
A	SER84

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site_id	SWS_FT_FI2
Number of Residues	1
Details	ACT_SITE: Proton acceptor => ECO:0000303|PubMed:20353175, ECO:0000303|PubMed:20961112

Chain	Residue	Details
A	ALA182

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site_id	SWS_FT_FI3
Number of Residues	2
Details	BINDING: BINDING => ECO:0000269|PubMed:19251630, ECO:0000269|PubMed:20353175, ECO:0000269|PubMed:20961112

Chain	Residue	Details
A	SER142
A	THR251

---

site_id	SWS_FT_FI4
Number of Residues	1
Details	SITE: Increases nucleophilicity of active site Ser => ECO:0000303|PubMed:20353175, ECO:0000303|PubMed:20961112

Chain	Residue	Details
A	LYS87

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site_id	SWS_FT_FI5
Number of Residues	1
Details	SITE: Functions as a gatekeeper residue that regulates substrate accessibility to the enzyme active site => ECO:0000303|PubMed:24023821

Chain	Residue	Details
A	ILE117

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