Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5TIG

CRYSTAL STRUCTURE OF 4-OXALOCROTONATE TAUTOMERASE INACTIVATED BY BrHPD

Functional Information from GO Data

Chain	GOid	namespace	contents
a	0009056	biological_process	catabolic process
a	0016853	molecular_function	isomerase activity
a	0042184	biological_process	xylene catabolic process
a	0042203	biological_process	toluene catabolic process
A	0009056	biological_process	catabolic process
A	0016853	molecular_function	isomerase activity
A	0042184	biological_process	xylene catabolic process
A	0042203	biological_process	toluene catabolic process
b	0009056	biological_process	catabolic process
b	0016853	molecular_function	isomerase activity
b	0042184	biological_process	xylene catabolic process
b	0042203	biological_process	toluene catabolic process
B	0009056	biological_process	catabolic process
B	0016853	molecular_function	isomerase activity
B	0042184	biological_process	xylene catabolic process
B	0042203	biological_process	toluene catabolic process
c	0009056	biological_process	catabolic process
c	0016853	molecular_function	isomerase activity
c	0042184	biological_process	xylene catabolic process
c	0042203	biological_process	toluene catabolic process
C	0009056	biological_process	catabolic process
C	0016853	molecular_function	isomerase activity
C	0042184	biological_process	xylene catabolic process
C	0042203	biological_process	toluene catabolic process
d	0009056	biological_process	catabolic process
d	0016853	molecular_function	isomerase activity
d	0042184	biological_process	xylene catabolic process
d	0042203	biological_process	toluene catabolic process
D	0009056	biological_process	catabolic process
D	0016853	molecular_function	isomerase activity
D	0042184	biological_process	xylene catabolic process
D	0042203	biological_process	toluene catabolic process
E	0009056	biological_process	catabolic process
E	0016853	molecular_function	isomerase activity
E	0042184	biological_process	xylene catabolic process
E	0042203	biological_process	toluene catabolic process
F	0009056	biological_process	catabolic process
F	0016853	molecular_function	isomerase activity
F	0042184	biological_process	xylene catabolic process
F	0042203	biological_process	toluene catabolic process
G	0009056	biological_process	catabolic process
G	0016853	molecular_function	isomerase activity
G	0042184	biological_process	xylene catabolic process
G	0042203	biological_process	toluene catabolic process
H	0009056	biological_process	catabolic process
H	0016853	molecular_function	isomerase activity
H	0042184	biological_process	xylene catabolic process
H	0042203	biological_process	toluene catabolic process
I	0009056	biological_process	catabolic process
I	0016853	molecular_function	isomerase activity
I	0042184	biological_process	xylene catabolic process
I	0042203	biological_process	toluene catabolic process
J	0009056	biological_process	catabolic process
J	0016853	molecular_function	isomerase activity
J	0042184	biological_process	xylene catabolic process
J	0042203	biological_process	toluene catabolic process
K	0009056	biological_process	catabolic process
K	0016853	molecular_function	isomerase activity
K	0042184	biological_process	xylene catabolic process
K	0042203	biological_process	toluene catabolic process
L	0009056	biological_process	catabolic process
L	0016853	molecular_function	isomerase activity
L	0042184	biological_process	xylene catabolic process
L	0042203	biological_process	toluene catabolic process
M	0009056	biological_process	catabolic process
M	0016853	molecular_function	isomerase activity
M	0042184	biological_process	xylene catabolic process
M	0042203	biological_process	toluene catabolic process
N	0009056	biological_process	catabolic process
N	0016853	molecular_function	isomerase activity
N	0042184	biological_process	xylene catabolic process
N	0042203	biological_process	toluene catabolic process
O	0009056	biological_process	catabolic process
O	0016853	molecular_function	isomerase activity
O	0042184	biological_process	xylene catabolic process
O	0042203	biological_process	toluene catabolic process
P	0009056	biological_process	catabolic process
P	0016853	molecular_function	isomerase activity
P	0042184	biological_process	xylene catabolic process
P	0042203	biological_process	toluene catabolic process
Q	0009056	biological_process	catabolic process
Q	0016853	molecular_function	isomerase activity
Q	0042184	biological_process	xylene catabolic process
Q	0042203	biological_process	toluene catabolic process
R	0009056	biological_process	catabolic process
R	0016853	molecular_function	isomerase activity
R	0042184	biological_process	xylene catabolic process
R	0042203	biological_process	toluene catabolic process
S	0009056	biological_process	catabolic process
S	0016853	molecular_function	isomerase activity
S	0042184	biological_process	xylene catabolic process
S	0042203	biological_process	toluene catabolic process
T	0009056	biological_process	catabolic process
T	0016853	molecular_function	isomerase activity
T	0042184	biological_process	xylene catabolic process
T	0042203	biological_process	toluene catabolic process
U	0009056	biological_process	catabolic process
U	0016853	molecular_function	isomerase activity
U	0042184	biological_process	xylene catabolic process
U	0042203	biological_process	toluene catabolic process
V	0009056	biological_process	catabolic process
V	0016853	molecular_function	isomerase activity
V	0042184	biological_process	xylene catabolic process
V	0042203	biological_process	toluene catabolic process
W	0009056	biological_process	catabolic process
W	0016853	molecular_function	isomerase activity
W	0042184	biological_process	xylene catabolic process
W	0042203	biological_process	toluene catabolic process
X	0009056	biological_process	catabolic process
X	0016853	molecular_function	isomerase activity
X	0042184	biological_process	xylene catabolic process
X	0042203	biological_process	toluene catabolic process
Y	0009056	biological_process	catabolic process
Y	0016853	molecular_function	isomerase activity
Y	0042184	biological_process	xylene catabolic process
Y	0042203	biological_process	toluene catabolic process
Z	0009056	biological_process	catabolic process
Z	0016853	molecular_function	isomerase activity
Z	0042184	biological_process	xylene catabolic process
Z	0042203	biological_process	toluene catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	binding site for residue 7DH A 101

Chain	Residue
A	PRO1
A	SER37

site_id	AC2
Number of Residues	8
Details	binding site for Di-peptide 7DH B 101 and PRO B 1

Chain	Residue
E	ARG39
A	HIS6
A	PHE50
A	ARG61
B	ILE2
B	SER37
B	VAL38
B	ARG39

site_id	AC3
Number of Residues	7
Details	binding site for Di-peptide 7DH C 101 and PRO C 1

Chain	Residue
C	ILE2
C	SER37
C	VAL38
C	ARG39
D	HIS6
D	PHE50
F	ARG39

site_id	AC4
Number of Residues	8
Details	binding site for Di-peptide 7DH F 101 and PRO F 1

Chain	Residue
C	ARG39
E	HIS6
E	PHE50
E	ILE52
F	ILE2
F	SER37
F	VAL38
F	ARG39

site_id	AC5
Number of Residues	8
Details	binding site for Di-peptide 7DH G 101 and PRO G 1

Chain	Residue
G	ILE2
G	SER37
G	VAL38
G	ARG39
H	HIS6
H	PHE50
H	HOH103
J	ARG39

site_id	AC6
Number of Residues	8
Details	binding site for Di-peptide 7DH L 101 and PRO L 1

Chain	Residue
I	ARG39
K	HIS6
K	LEU8
K	PHE50
K	ILE52
L	ILE2
L	VAL38
L	ARG39

site_id	AC7
Number of Residues	8
Details	binding site for Di-peptide 7DH O 101 and PRO O 1

Chain	Residue
O	ILE2
O	SER37
O	VAL38
O	ARG39
P	HIS6
P	PHE50
P	ILE52
R	ARG39

site_id	AC8
Number of Residues	6
Details	binding site for Di-peptide 7DH P 101 and PRO P 1

Chain	Residue
M	ARG39
O	HIS6
P	ILE2
P	SER37
P	VAL38
P	ARG39

site_id	AC9
Number of Residues	8
Details	binding site for Di-peptide 7DH R 101 and PRO R 1

Chain	Residue
Q	HIS6
Q	ILE7
Q	LEU8
Q	ARG11
Q	PHE50
R	ILE2
R	VAL38
R	ARG39

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	30
Details	ACT_SITE: Proton acceptor; via imino nitrogen => ECO:0000269\|PubMed:8547260

Chain	Residue	Details
A	PRO1
J	PRO1
K	PRO1
L	PRO1
M	PRO1
N	PRO1
O	PRO1
P	PRO1
Q	PRO1
R	PRO1
S	PRO1
B	PRO1
T	PRO1
U	PRO1
V	PRO1
W	PRO1
X	PRO1
Y	PRO1
Z	PRO1
a	PRO1
b	PRO1
c	PRO1
C	PRO1
d	PRO1
D	PRO1
E	PRO1
F	PRO1
G	PRO1
H	PRO1
I	PRO1

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	ARG61	electrostatic stabiliser

site_id	MCSA10
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
J	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
J	ARG39	electrostatic stabiliser, hydrogen bond donor
J	PHE50	activator, polar/non-polar interaction
J	ARG61	electrostatic stabiliser

site_id	MCSA11
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
K	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
K	ARG39	electrostatic stabiliser, hydrogen bond donor
K	PHE50	activator, polar/non-polar interaction
K	ARG61	electrostatic stabiliser

site_id	MCSA12
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
L	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
L	ARG39	electrostatic stabiliser, hydrogen bond donor
L	PHE50	activator, polar/non-polar interaction
L	ARG61	electrostatic stabiliser

site_id	MCSA13
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
M	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
M	ARG39	electrostatic stabiliser, hydrogen bond donor
M	PHE50	activator, polar/non-polar interaction
M	ARG61	electrostatic stabiliser

site_id	MCSA14
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
N	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
N	ARG39	electrostatic stabiliser, hydrogen bond donor
N	PHE50	activator, polar/non-polar interaction
N	ARG61	electrostatic stabiliser

site_id	MCSA15
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
O	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
O	ARG39	electrostatic stabiliser, hydrogen bond donor
O	PHE50	activator, polar/non-polar interaction
O	ARG61	electrostatic stabiliser

site_id	MCSA16
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
P	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
P	ARG39	electrostatic stabiliser, hydrogen bond donor
P	PHE50	activator, polar/non-polar interaction
P	ARG61	electrostatic stabiliser

site_id	MCSA17
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
Q	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
Q	ARG39	electrostatic stabiliser, hydrogen bond donor
Q	PHE50	activator, polar/non-polar interaction
Q	ARG61	electrostatic stabiliser

site_id	MCSA18
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
R	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
R	ARG39	electrostatic stabiliser, hydrogen bond donor
R	PHE50	activator, polar/non-polar interaction
R	ARG61	electrostatic stabiliser

site_id	MCSA19
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
S	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
S	ARG39	electrostatic stabiliser, hydrogen bond donor
S	PHE50	activator, polar/non-polar interaction
S	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	MCSA20
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
T	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
T	ARG39	electrostatic stabiliser, hydrogen bond donor
T	PHE50	activator, polar/non-polar interaction
T	ARG61	electrostatic stabiliser

site_id	MCSA21
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
U	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
U	ARG39	electrostatic stabiliser, hydrogen bond donor
U	PHE50	activator, polar/non-polar interaction
U	ARG61	electrostatic stabiliser

site_id	MCSA22
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
V	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
V	ARG39	electrostatic stabiliser, hydrogen bond donor
V	PHE50	activator, polar/non-polar interaction
V	ARG61	electrostatic stabiliser

site_id	MCSA23
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
W	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
W	ARG39	electrostatic stabiliser, hydrogen bond donor
W	PHE50	activator, polar/non-polar interaction
W	ARG61	electrostatic stabiliser

site_id	MCSA24
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
X	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
X	ARG39	electrostatic stabiliser, hydrogen bond donor
X	PHE50	activator, polar/non-polar interaction
X	ARG61	electrostatic stabiliser

site_id	MCSA25
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
Y	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
Y	ARG39	electrostatic stabiliser, hydrogen bond donor
Y	PHE50	activator, polar/non-polar interaction
Y	ARG61	electrostatic stabiliser

site_id	MCSA26
Number of Residues	4
Details	M-CSA 61

Chain	Residue	Details
Z	PRO1	hydrogen bond acceptor, hydrogen bond donor, polar/non-polar interaction, proton acceptor, proton donor
Z	ARG39	electrostatic stabiliser, hydrogen bond donor
Z	PHE50	activator, polar/non-polar interaction
Z	ARG61	electrostatic stabiliser

site_id	MCSA27
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	MCSA28
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	MCSA29
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	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	MCSA30
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

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

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

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

site_id	MCSA7
Number of Residues	4
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
G	ARG61	electrostatic stabiliser

site_id	MCSA8
Number of Residues	4
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
H	ARG61	electrostatic stabiliser

site_id	MCSA9
Number of Residues	4
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
I	ARG61	electrostatic stabiliser

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)