1JTG

CRYSTAL STRUCTURE OF TEM-1 BETA-LACTAMASE / BETA-LACTAMASE INHIBITOR PROTEIN COMPLEX

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0005515	molecular_function	protein binding
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	0046677	biological_process	response to antibiotic
B	0005515	molecular_function	protein binding
B	0005576	cellular_component	extracellular region
B	0033252	biological_process	regulation of beta-lactamase activity
C	0005515	molecular_function	protein binding
C	0008800	molecular_function	beta-lactamase activity
C	0016787	molecular_function	hydrolase activity
C	0017001	biological_process	antibiotic catabolic process
C	0030655	biological_process	beta-lactam antibiotic catabolic process
C	0046677	biological_process	response to antibiotic
D	0005515	molecular_function	protein binding
D	0005576	cellular_component	extracellular region
D	0033252	biological_process	regulation of beta-lactamase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA B 645

Chain	Residue
B	ASP133
B	ASP135
B	ARG144
B	HOH750
B	HOH751
B	HOH763

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site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CA D 702

Chain	Residue
D	HOH795
D	HOH796
D	HOH797
D	ASP133
D	ASP135
D	ARG144

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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. FpMMSTfKvllCGAVL

Chain	Residue	Details
A	PHE66-LEU81

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	ACT_SITE: Acyl-ester intermediate

Chain	Residue	Details
A	SER70
C	SER70

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site_id	SWS_FT_FI2
Number of Residues	2
Details	ACT_SITE: Proton acceptor

Chain	Residue	Details
A	GLU168
C	GLU168

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site_id	SWS_FT_FI3
Number of Residues	2
Details	BINDING:

Chain	Residue	Details
A	LYS234
C	LYS234

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Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1btl

Chain	Residue	Details
A	GLU166
A	LYS73
A	SER130
A	SER70

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site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1btl

Chain	Residue	Details
C	GLU166
C	LYS73
C	SER130
C	SER70

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site_id	MCSA1
Number of Residues	6
Details	M-CSA 2

Chain	Residue	Details
A	SER70	electrostatic stabiliser
A	LYS73	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	SER130	activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	GLU166	activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
A	LYS234	electrostatic stabiliser
A	ALA237	electrostatic stabiliser, hydrogen bond donor

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site_id	MCSA2
Number of Residues	6
Details	M-CSA 2

Chain	Residue	Details
C	SER70	electrostatic stabiliser
C	LYS73	hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	SER130	activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	GLU166	activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
C	LYS234	electrostatic stabiliser
C	ALA237	electrostatic stabiliser, hydrogen bond donor

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