4X1C

Crystal structure of 4-OT from Pseudomonas putida mt-2 with an enamine adduct on the N-terminal proline at 1.7 Angstrom resolution

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

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	binding site for residue NCO B 101

Chain	Residue
A	ARG29
A	ASP32
B	GLU22
B	GLU25

---

site_id	AC2
Number of Residues	4
Details	binding site for residue NCO F 101

Chain	Residue
B	ARG29
B	ASP32
F	GLU22
F	GLU25

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	5
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	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	MCSA10
Number of Residues	2
Details	M-CSA 61

Chain	Residue	Details
O	THR43	electrostatic stabiliser, hydrogen bond donor
O	GLY54	activator, polar/non-polar interaction

---

site_id	MCSA2
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	MCSA3
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	MCSA4
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	MCSA5
Number of Residues	3
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

---

site_id	MCSA6
Number of Residues	2
Details	M-CSA 61

Chain	Residue	Details
I	THR43	electrostatic stabiliser, hydrogen bond donor
I	GLY54	activator, polar/non-polar interaction

---

site_id	MCSA7
Number of Residues	2
Details	M-CSA 61

Chain	Residue	Details
J	THR43	electrostatic stabiliser, hydrogen bond donor
J	GLY54	activator, polar/non-polar interaction

---

site_id	MCSA8
Number of Residues	2
Details	M-CSA 61

Chain	Residue	Details
M	THR43	electrostatic stabiliser, hydrogen bond donor
M	GLY54	activator, polar/non-polar interaction

---

site_id	MCSA9
Number of Residues	2
Details	M-CSA 61

Chain	Residue	Details
N	THR43	electrostatic stabiliser, hydrogen bond donor
N	GLY54	activator, polar/non-polar interaction

---