1Q95

Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R State Bound to PALA, or to Product Analogues Phosphate and Citrate

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004070	molecular_function	aspartate carbamoyltransferase activity
A	0004088	molecular_function	carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005829	cellular_component	cytosol
A	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
A	0006221	biological_process	pyrimidine nucleotide biosynthetic process
A	0006520	biological_process	amino acid metabolic process
A	0006541	biological_process	glutamine metabolic process
A	0009347	cellular_component	aspartate carbamoyltransferase complex
A	0016597	molecular_function	amino acid binding
A	0016740	molecular_function	transferase activity
A	0016743	molecular_function	carboxyl- or carbamoyltransferase activity
A	0042802	molecular_function	identical protein binding
A	0044205	biological_process	'de novo' UMP biosynthetic process
A	0070207	biological_process	protein homotrimerization
B	0004070	molecular_function	aspartate carbamoyltransferase activity
B	0004088	molecular_function	carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0005829	cellular_component	cytosol
B	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
B	0006221	biological_process	pyrimidine nucleotide biosynthetic process
B	0006520	biological_process	amino acid metabolic process
B	0006541	biological_process	glutamine metabolic process
B	0009347	cellular_component	aspartate carbamoyltransferase complex
B	0016597	molecular_function	amino acid binding
B	0016740	molecular_function	transferase activity
B	0016743	molecular_function	carboxyl- or carbamoyltransferase activity
B	0042802	molecular_function	identical protein binding
B	0044205	biological_process	'de novo' UMP biosynthetic process
B	0070207	biological_process	protein homotrimerization
C	0004070	molecular_function	aspartate carbamoyltransferase activity
C	0004088	molecular_function	carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005829	cellular_component	cytosol
C	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
C	0006221	biological_process	pyrimidine nucleotide biosynthetic process
C	0006520	biological_process	amino acid metabolic process
C	0006541	biological_process	glutamine metabolic process
C	0009347	cellular_component	aspartate carbamoyltransferase complex
C	0016597	molecular_function	amino acid binding
C	0016740	molecular_function	transferase activity
C	0016743	molecular_function	carboxyl- or carbamoyltransferase activity
C	0042802	molecular_function	identical protein binding
C	0044205	biological_process	'de novo' UMP biosynthetic process
C	0070207	biological_process	protein homotrimerization
D	0004070	molecular_function	aspartate carbamoyltransferase activity
D	0004088	molecular_function	carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0005829	cellular_component	cytosol
D	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
D	0006221	biological_process	pyrimidine nucleotide biosynthetic process
D	0006520	biological_process	amino acid metabolic process
D	0006541	biological_process	glutamine metabolic process
D	0009347	cellular_component	aspartate carbamoyltransferase complex
D	0016597	molecular_function	amino acid binding
D	0016740	molecular_function	transferase activity
D	0016743	molecular_function	carboxyl- or carbamoyltransferase activity
D	0042802	molecular_function	identical protein binding
D	0044205	biological_process	'de novo' UMP biosynthetic process
D	0070207	biological_process	protein homotrimerization
E	0004070	molecular_function	aspartate carbamoyltransferase activity
E	0004088	molecular_function	carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity
E	0005515	molecular_function	protein binding
E	0005737	cellular_component	cytoplasm
E	0005829	cellular_component	cytosol
E	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
E	0006221	biological_process	pyrimidine nucleotide biosynthetic process
E	0006520	biological_process	amino acid metabolic process
E	0006541	biological_process	glutamine metabolic process
E	0009347	cellular_component	aspartate carbamoyltransferase complex
E	0016597	molecular_function	amino acid binding
E	0016740	molecular_function	transferase activity
E	0016743	molecular_function	carboxyl- or carbamoyltransferase activity
E	0042802	molecular_function	identical protein binding
E	0044205	biological_process	'de novo' UMP biosynthetic process
E	0070207	biological_process	protein homotrimerization
F	0004070	molecular_function	aspartate carbamoyltransferase activity
F	0004088	molecular_function	carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity
F	0005515	molecular_function	protein binding
F	0005737	cellular_component	cytoplasm
F	0005829	cellular_component	cytosol
F	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
F	0006221	biological_process	pyrimidine nucleotide biosynthetic process
F	0006520	biological_process	amino acid metabolic process
F	0006541	biological_process	glutamine metabolic process
F	0009347	cellular_component	aspartate carbamoyltransferase complex
F	0016597	molecular_function	amino acid binding
F	0016740	molecular_function	transferase activity
F	0016743	molecular_function	carboxyl- or carbamoyltransferase activity
F	0042802	molecular_function	identical protein binding
F	0044205	biological_process	'de novo' UMP biosynthetic process
F	0070207	biological_process	protein homotrimerization
G	0005515	molecular_function	protein binding
G	0005737	cellular_component	cytoplasm
G	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
G	0006221	biological_process	pyrimidine nucleotide biosynthetic process
G	0008270	molecular_function	zinc ion binding
G	0009347	cellular_component	aspartate carbamoyltransferase complex
G	0046872	molecular_function	metal ion binding
H	0005515	molecular_function	protein binding
H	0005737	cellular_component	cytoplasm
H	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
H	0006221	biological_process	pyrimidine nucleotide biosynthetic process
H	0008270	molecular_function	zinc ion binding
H	0009347	cellular_component	aspartate carbamoyltransferase complex
H	0046872	molecular_function	metal ion binding
I	0005515	molecular_function	protein binding
I	0005737	cellular_component	cytoplasm
I	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
I	0006221	biological_process	pyrimidine nucleotide biosynthetic process
I	0008270	molecular_function	zinc ion binding
I	0009347	cellular_component	aspartate carbamoyltransferase complex
I	0046872	molecular_function	metal ion binding
J	0005515	molecular_function	protein binding
J	0005737	cellular_component	cytoplasm
J	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
J	0006221	biological_process	pyrimidine nucleotide biosynthetic process
J	0008270	molecular_function	zinc ion binding
J	0009347	cellular_component	aspartate carbamoyltransferase complex
J	0046872	molecular_function	metal ion binding
K	0005515	molecular_function	protein binding
K	0005737	cellular_component	cytoplasm
K	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
K	0006221	biological_process	pyrimidine nucleotide biosynthetic process
K	0008270	molecular_function	zinc ion binding
K	0009347	cellular_component	aspartate carbamoyltransferase complex
K	0046872	molecular_function	metal ion binding
L	0005515	molecular_function	protein binding
L	0005737	cellular_component	cytoplasm
L	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
L	0006221	biological_process	pyrimidine nucleotide biosynthetic process
L	0008270	molecular_function	zinc ion binding
L	0009347	cellular_component	aspartate carbamoyltransferase complex
L	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN H 2001

Chain	Residue
H	CYS109
H	CYS114
H	CYS138
H	CYS141

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN G 2002

Chain	Residue
G	CYS109
G	CYS114
G	CYS138
G	CYS141

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN I 2003

Chain	Residue
I	CYS114
I	CYS138
I	CYS141
I	CYS109

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN J 2004

Chain	Residue
J	CYS109
J	CYS114
J	CYS138
J	CYS141

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN K 2005

Chain	Residue
K	CYS109
K	CYS114
K	CYS138
K	CYS141

---

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN L 2006

Chain	Residue
L	CYS109
L	CYS114
L	CYS138
L	CYS141

---

site_id	AC7
Number of Residues	16
Details	BINDING SITE FOR RESIDUE PAL A 1001

Chain	Residue
A	SER52
A	THR53
A	ARG54
A	THR55
A	ARG105
A	HIS134
A	GLN137
A	ARG167
A	ARG229
A	GLN231
A	PRO266
A	PRO268
A	HOH1021
A	HOH1084
B	SER80
B	LYS84

---

site_id	AC8
Number of Residues	16
Details	BINDING SITE FOR RESIDUE PAL B 1002

Chain	Residue
B	SER52
B	THR53
B	ARG54
B	THR55
B	ARG105
B	HIS134
B	ARG167
B	THR168
B	ARG229
B	GLN231
B	PRO266
B	PRO268
B	HOH1009
B	HOH1041
C	SER80
C	LYS84

---

site_id	AC9
Number of Residues	15
Details	BINDING SITE FOR RESIDUE PAL C 1003

Chain	Residue
A	SER80
A	LYS84
C	SER52
C	THR53
C	ARG54
C	THR55
C	ARG105
C	HIS134
C	GLN137
C	ARG167
C	THR168
C	ARG229
C	GLN231
C	PRO268
C	HOH1062

---

site_id	BC1
Number of Residues	17
Details	BINDING SITE FOR RESIDUE PAL D 1004

Chain	Residue
D	SER52
D	THR53
D	ARG54
D	THR55
D	ARG105
D	HIS134
D	GLN137
D	ARG167
D	THR168
D	ARG229
D	GLN231
D	PRO266
D	PRO268
D	HOH1015
D	HOH1034
F	SER80
F	LYS84

---

site_id	BC2
Number of Residues	15
Details	BINDING SITE FOR RESIDUE PAL E 1005

Chain	Residue
E	GLN231
E	PRO266
E	PRO268
E	HOH1026
D	SER80
D	LYS84
E	SER52
E	THR53
E	ARG54
E	THR55
E	ARG105
E	HIS134
E	GLN137
E	ARG167
E	ARG229

---

site_id	BC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE PAL F 1006

Chain	Residue
E	SER80
E	LYS84
F	SER52
F	THR53
F	ARG54
F	THR55
F	ARG105
F	HIS134
F	ARG167
F	THR168
F	ARG229
F	GLN231
F	PRO266
F	PRO268
F	HOH1056
F	HOH1120

---

Functional Information from PROSITE/UniProt

site_id	PS00097
Number of Residues	8
Details	CARBAMOYLTRANSFERASE Aspartate and ornithine carbamoyltransferases signature. FfEaSTRT

Chain	Residue	Details
A	PHE48-THR55

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	42
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00001","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"3380787","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	18
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00001","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"3380787","evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	24
Details	Binding site: {}

Chain

Residue

Details

---

Catalytic Information from CSA

site_id	CSA1
Number of Residues	4
Details	Annotated By Reference To The Literature 1at1

Chain	Residue	Details
A	ARG54
A	HIS134
A	ARG105
A	THR55

---

site_id	CSA2
Number of Residues	4
Details	Annotated By Reference To The Literature 1at1

Chain	Residue	Details
B	ARG54
B	HIS134
B	ARG105
B	THR55

---

site_id	CSA3
Number of Residues	4
Details	Annotated By Reference To The Literature 1at1

Chain	Residue	Details
C	ARG54
C	HIS134
C	ARG105
C	THR55

---

site_id	CSA4
Number of Residues	4
Details	Annotated By Reference To The Literature 1at1

Chain	Residue	Details
D	ARG54
D	HIS134
D	ARG105
D	THR55

---

site_id	CSA5
Number of Residues	4
Details	Annotated By Reference To The Literature 1at1

Chain	Residue	Details
E	ARG54
E	HIS134
E	ARG105
E	THR55

---

site_id	CSA6
Number of Residues	4
Details	Annotated By Reference To The Literature 1at1

Chain	Residue	Details
F	ARG54
F	HIS134
F	ARG105
F	THR55

---

site_id	MCSA1
Number of Residues	5
Details	M-CSA 405

Chain	Residue	Details
A	ARG54	electrostatic stabiliser
A	THR55	electrostatic stabiliser, increase electrophilicity
A	LYS84	proton shuttle (general acid/base)
A	ARG105	electrostatic stabiliser, increase electrophilicity
A	HIS134	electrostatic stabiliser, increase electrophilicity

---

site_id	MCSA2
Number of Residues	5
Details	M-CSA 405

Chain	Residue	Details
B	ARG54	electrostatic stabiliser
B	THR55	electrostatic stabiliser, increase electrophilicity
B	LYS84	proton shuttle (general acid/base)
B	ARG105	electrostatic stabiliser, increase electrophilicity
B	HIS134	electrostatic stabiliser, increase electrophilicity

---

site_id	MCSA3
Number of Residues	5
Details	M-CSA 405

Chain	Residue	Details
C	ARG54	electrostatic stabiliser
C	THR55	electrostatic stabiliser, increase electrophilicity
C	LYS84	proton shuttle (general acid/base)
C	ARG105	electrostatic stabiliser, increase electrophilicity
C	HIS134	electrostatic stabiliser, increase electrophilicity

---

site_id	MCSA4
Number of Residues	5
Details	M-CSA 405

Chain	Residue	Details
D	ARG54	electrostatic stabiliser
D	THR55	electrostatic stabiliser, increase electrophilicity
D	LYS84	proton shuttle (general acid/base)
D	ARG105	electrostatic stabiliser, increase electrophilicity
D	HIS134	electrostatic stabiliser, increase electrophilicity

---

site_id	MCSA5
Number of Residues	5
Details	M-CSA 405

Chain	Residue	Details
E	ARG54	electrostatic stabiliser
E	THR55	electrostatic stabiliser, increase electrophilicity
E	LYS84	proton shuttle (general acid/base)
E	ARG105	electrostatic stabiliser, increase electrophilicity
E	HIS134	electrostatic stabiliser, increase electrophilicity

---

site_id	MCSA6
Number of Residues	5
Details	M-CSA 405

Chain	Residue	Details
F	ARG54	electrostatic stabiliser
F	THR55	electrostatic stabiliser, increase electrophilicity
F	LYS84	proton shuttle (general acid/base)
F	ARG105	electrostatic stabiliser, increase electrophilicity
F	HIS134	electrostatic stabiliser, increase electrophilicity

---