2FM7

Evolution of Enzymatic Activity in the Tautomerase Superfamily: Mechanistic and Structural Consequences of the L8R Mutation in 4-Oxalocrotonate Tautomerase

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 PDB Data

site_id	AC1
Number of Residues	1
Details	BINDING SITE FOR RESIDUE CL D 9001

Chain	Residue
C	PRO1

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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	CSA1
Number of Residues	3
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
A	ARG39
B	PRO1
B	PHE50

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site_id	CSA2
Number of Residues	3
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
A	PRO1
A	PHE50
B	ARG39

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site_id	CSA3
Number of Residues	3
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
C	ARG39
D	PRO1
D	PHE50

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site_id	CSA4
Number of Residues	3
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
D	ARG39
C	PRO1
C	PHE50

---

site_id	CSA5
Number of Residues	3
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
F	PRO1
F	PHE50
E	ARG39

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site_id	CSA6
Number of Residues	3
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
F	ARG39
E	PRO1
E	PHE50

---

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	ARG61	electrostatic stabiliser

---

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	ARG61	electrostatic stabiliser

---

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	ARG61	electrostatic stabiliser

---

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	ARG61	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	ARG61	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	ARG61	electrostatic stabiliser

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