7PUO

Structure of a fused 4-OT variant engineered for asymmetric Michael addition reactions

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0016853	molecular_function	isomerase activity
A	0042184	biological_process	xylene catabolic process
A	0042203	biological_process	toluene catabolic process
B	0016853	molecular_function	isomerase activity
B	0042184	biological_process	xylene catabolic process
B	0042203	biological_process	toluene catabolic process
C	0016853	molecular_function	isomerase activity
C	0042184	biological_process	xylene catabolic process
C	0042203	biological_process	toluene catabolic process
D	0016853	molecular_function	isomerase activity
D	0042184	biological_process	xylene catabolic process
D	0042203	biological_process	toluene catabolic process
E	0016853	molecular_function	isomerase activity
E	0042184	biological_process	xylene catabolic process
E	0042203	biological_process	toluene catabolic process
F	0016853	molecular_function	isomerase activity
F	0042184	biological_process	xylene catabolic process
F	0042203	biological_process	toluene catabolic process

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	Active site: {"description":"Proton acceptor; via imino nitrogen","evidences":[{"source":"PubMed","id":"8547260","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
A	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
A	ARG39	electrostatic stabiliser, hydrogen bond donor
A	PHE50	activator, polar/non-polar interaction
A	PRO61	electrostatic stabiliser

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site_id	MCSA2
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
B	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
B	ARG39	electrostatic stabiliser, hydrogen bond donor
B	PHE50	activator, polar/non-polar interaction
B	PRO61	electrostatic stabiliser

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site_id	MCSA3
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
C	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
C	ARG39	electrostatic stabiliser, hydrogen bond donor
C	PHE50	activator, polar/non-polar interaction
C	PRO61	electrostatic stabiliser

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site_id	MCSA4
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
D	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
D	ARG39	electrostatic stabiliser, hydrogen bond donor
D	PHE50	activator, polar/non-polar interaction
D	PRO61	electrostatic stabiliser

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site_id	MCSA5
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
E	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
E	ARG39	electrostatic stabiliser, hydrogen bond donor
E	PHE50	activator, polar/non-polar interaction
E	PRO61	electrostatic stabiliser

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site_id	MCSA6
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
F	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
F	ARG39	electrostatic stabiliser, hydrogen bond donor
F	PHE50	activator, polar/non-polar interaction
F	PRO61	electrostatic stabiliser

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