Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4X19

Crystal structure of native 4-OT from Pseudomonas putida mt-2 at 1.94 Angstrom

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
J	0016853	molecular_function	isomerase activity
J	0042184	biological_process	xylene catabolic process
J	0042203	biological_process	toluene catabolic process
K	0016853	molecular_function	isomerase activity
K	0042184	biological_process	xylene catabolic process
K	0042203	biological_process	toluene catabolic process
L	0016853	molecular_function	isomerase activity
L	0042184	biological_process	xylene catabolic process
L	0042203	biological_process	toluene catabolic process
M	0016853	molecular_function	isomerase activity
M	0042184	biological_process	xylene catabolic process
M	0042203	biological_process	toluene catabolic process
N	0016853	molecular_function	isomerase activity
N	0042184	biological_process	xylene catabolic process
N	0042203	biological_process	toluene catabolic process
O	0016853	molecular_function	isomerase activity
O	0042184	biological_process	xylene catabolic process
O	0042203	biological_process	toluene catabolic process
P	0016853	molecular_function	isomerase activity
P	0042184	biological_process	xylene catabolic process
P	0042203	biological_process	toluene catabolic process
Q	0016853	molecular_function	isomerase activity
Q	0042184	biological_process	xylene catabolic process
Q	0042203	biological_process	toluene catabolic process
R	0016853	molecular_function	isomerase activity
R	0042184	biological_process	xylene catabolic process
R	0042203	biological_process	toluene catabolic process
S	0016853	molecular_function	isomerase activity
S	0042184	biological_process	xylene catabolic process
S	0042203	biological_process	toluene catabolic process
T	0016853	molecular_function	isomerase activity
T	0042184	biological_process	xylene catabolic process
T	0042203	biological_process	toluene catabolic process
U	0016853	molecular_function	isomerase activity
U	0042184	biological_process	xylene catabolic process
U	0042203	biological_process	toluene catabolic process
V	0016853	molecular_function	isomerase activity
V	0042184	biological_process	xylene catabolic process
V	0042203	biological_process	toluene catabolic process
W	0016853	molecular_function	isomerase activity
W	0042184	biological_process	xylene catabolic process
W	0042203	biological_process	toluene catabolic process
X	0016853	molecular_function	isomerase activity
X	0042184	biological_process	xylene catabolic process
X	0042203	biological_process	toluene catabolic process
Y	0016853	molecular_function	isomerase activity
Y	0042184	biological_process	xylene catabolic process
Y	0042203	biological_process	toluene catabolic process
Z	0016853	molecular_function	isomerase activity
Z	0042184	biological_process	xylene catabolic process
Z	0042203	biological_process	toluene catabolic process
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

Functional Information from PDB Data

site_id	AC1
Number of Residues	2
Details	binding site for residue NCO F 101

Chain	Residue
F	ARG29
F	ASP32

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	30
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	MCSA10
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	MCSA11
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	MCSA12
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	MCSA13
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	MCSA14
Number of Residues	3
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

site_id	MCSA15
Number of Residues	3
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

site_id	MCSA16
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	MCSA17
Number of Residues	3
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

site_id	MCSA18
Number of Residues	3
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

site_id	MCSA19
Number of Residues	3
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

site_id	MCSA2
Number of Residues	3
Details	M-CSA 61

Chain

Residue

Details

site_id	MCSA20
Number of Residues	3
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

site_id	MCSA21
Number of Residues	3
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

site_id	MCSA22
Number of Residues	3
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

site_id	MCSA23
Number of Residues	3
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

site_id	MCSA24
Number of Residues	3
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

site_id	MCSA25
Number of Residues	3
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

site_id	MCSA26
Number of Residues	3
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

site_id	MCSA27
Number of Residues	3
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

site_id	MCSA28
Number of Residues	3
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

site_id	MCSA29
Number of Residues	3
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

site_id	MCSA3
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	MCSA30
Number of Residues	3
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

site_id	MCSA4
Number of Residues	3
Details	M-CSA 61

Chain

Residue

Details

site_id	MCSA5
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	MCSA6
Number of Residues	3
Details	M-CSA 61

Chain

Residue

Details

site_id	MCSA7
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	MCSA8
Number of Residues	3
Details	M-CSA 61

Chain

Residue

Details

site_id	MCSA9
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

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