Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4OTC

4-OXALOCROTONATE TAUTOMERASE OBSERVED AS AN OCTODECAMER, TRIGONAL CRYSTAL FORM

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
G	0016853	molecular_function	isomerase activity
G	0042184	biological_process	xylene catabolic process
G	0042203	biological_process	toluene catabolic process
H	0016853	molecular_function	isomerase activity
H	0042184	biological_process	xylene catabolic process
H	0042203	biological_process	toluene catabolic process
I	0016853	molecular_function	isomerase activity
I	0042184	biological_process	xylene catabolic process
I	0042203	biological_process	toluene catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 A 101

Chain	Residue
A	PRO1
A	LEU8
A	ARG11

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 A 102

Chain	Residue
A	SER37
A	ARG39
A	ARG39
A	HOH247

site_id	AC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 B 103

Chain	Residue
C	ARG11
B	PRO1
C	LEU8

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 104

Chain	Residue
B	THR36
B	SER37
B	ARG39
C	ARG39
C	ILE52

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 105

Chain	Residue
B	LEU8
B	ARG11
C	PRO1

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 C 106

Chain	Residue
B	ARG39
C	THR36
C	SER37
C	HOH223

site_id	AC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 E 107

Chain	Residue
D	PRO1
E	ILE7
E	LEU8
E	ARG11
E	HOH213

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 D 108

Chain	Residue
D	SER37
E	ARG39

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 D 109

Chain	Residue
D	ILE7
D	LEU8
D	ARG11
E	PRO1

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 E 110

Chain	Residue
D	ARG39
D	ILE52
E	SER37

site_id	BC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 G 111

Chain	Residue
F	PRO1
G	LEU8
G	ARG11
G	HOH236

site_id	BC3
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 F 112

Chain	Residue
F	SER37
G	ARG39
G	ILE52

site_id	BC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 G 113

Chain	Residue
F	ILE7
F	LEU8
F	ARG11
G	PRO1

site_id	BC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE SO4 G 114

Chain	Residue
F	ARG39
F	ILE52
G	SER37
G	HOH209

site_id	BC6
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SO4 I 115

Chain	Residue
H	PRO1
I	ILE7
I	LEU8
I	ARG11
I	HOH250
I	HOH251

site_id	BC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE SO4 H 116

Chain	Residue
H	SER37
I	ARG39

site_id	BC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE SO4 H 117

Chain	Residue
H	ILE7
H	LEU8
H	ARG11
H	HOH246
H	HOH254
H	HOH257
I	PRO1

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 I 118

Chain	Residue
H	ARG39
H	ILE52
I	SER37

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	9
Details	Active site: {"description":"Proton acceptor; via imino nitrogen","evidences":[{"source":"PubMed","id":"8547260","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

Catalytic Information from CSA

site_id	MCSA1
Number of Residues	3
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

site_id	MCSA2
Number of Residues	3
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

site_id	MCSA3
Number of Residues	3
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

site_id	MCSA4
Number of Residues	3
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

site_id	MCSA5
Number of Residues	3
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

site_id	MCSA6
Number of Residues	3
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

site_id	MCSA7
Number of Residues	3
Details	M-CSA 61

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

site_id	MCSA8
Number of Residues	3
Details	M-CSA 61

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

site_id	MCSA9
Number of Residues	3
Details	M-CSA 61

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

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
A	PRO1
A	PHE50

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
B	PRO1
B	PHE50

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
C	PRO1
C	PHE50

site_id	CSA4
Number of Residues	2
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
D	PRO1
D	PHE50

site_id	CSA5
Number of Residues	2
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
E	PRO1
E	PHE50

site_id	CSA6
Number of Residues	2
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
F	PRO1
F	PHE50

site_id	CSA7
Number of Residues	2
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
G	PRO1
G	PHE50

site_id	CSA8
Number of Residues	2
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
H	PRO1
H	PHE50

site_id	CSA9
Number of Residues	2
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
I	PRO1
I	PHE50

site_id	CSA10
Number of Residues	1
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
A	ARG39

site_id	CSA11
Number of Residues	1
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
B	ARG39

site_id	CSA12
Number of Residues	1
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
C	ARG39

site_id	CSA13
Number of Residues	1
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
D	ARG39

site_id	CSA14
Number of Residues	1
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
E	ARG39

site_id	CSA15
Number of Residues	1
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
F	ARG39

site_id	CSA16
Number of Residues	1
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
G	ARG39

site_id	CSA17
Number of Residues	1
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
H	ARG39

site_id	CSA18
Number of Residues	1
Details	Annotated By Reference To The Literature 1bjp

Chain	Residue	Details
I	ARG39

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)