4FYY

E. coli Aspartate Transcarbamoylase Complexed with CTP, UTP, and Mg2+

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	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	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
B	0006221	biological_process	pyrimidine nucleotide biosynthetic process
B	0008270	molecular_function	zinc ion binding
B	0009347	cellular_component	aspartate carbamoyltransferase complex
B	0046872	molecular_function	metal ion binding
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	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	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
D	0006221	biological_process	pyrimidine nucleotide biosynthetic process
D	0008270	molecular_function	zinc ion binding
D	0009347	cellular_component	aspartate carbamoyltransferase complex
D	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 201

Chain	Residue
B	CYS109
B	CYS114
B	CYS138
B	CYS141

---

site_id	AC2
Number of Residues	16
Details	BINDING SITE FOR RESIDUE UTP B 202

Chain	Residue
B	SER50
B	GLY51
B	GLU52
B	LYS56
B	LEU58
B	LYS60
B	CTP203
B	MG204
B	HOH301
B	HOH302
B	HOH313
B	LEU7
B	GLN8
B	VAL9
B	HIS20
B	PRO49

---

site_id	AC3
Number of Residues	19
Details	BINDING SITE FOR RESIDUE CTP B 203

Chain	Residue
B	ALA11
B	ILE12
B	VAL17
B	ASP19
B	HIS20
B	LYS60
B	ASN84
B	ILE86
B	TYR89
B	VAL91
B	LYS94
B	ASN132
B	UTP202
B	MG204
B	HOH301
B	HOH302
B	HOH304
B	HOH333
B	HOH358

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG B 204

Chain	Residue
B	UTP202
B	CTP203
B	HOH301
B	HOH302

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 201

Chain	Residue
D	CYS109
D	CYS114
D	CYS138
D	CYS141

---

site_id	AC6
Number of Residues	16
Details	BINDING SITE FOR RESIDUE UTP D 202

Chain	Residue
D	LYS6
D	LEU7
D	GLN8
D	VAL9
D	HIS20
D	PRO49
D	SER50
D	GLY51
D	GLU52
D	LYS56
D	LYS60
D	CTP203
D	MG204
D	HOH317
D	HOH385
D	HOH391

---

site_id	AC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE CTP D 203

Chain	Residue
D	ALA11
D	ILE12
D	VAL17
D	ASP19
D	HIS20
D	LYS60
D	ASN84
D	TYR89
D	VAL91
D	LYS94
D	UTP202
D	MG204
D	HOH305
D	HOH317
D	HOH330
D	HOH344
D	HOH385
D	HOH386

---

site_id	AC8
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG D 204

Chain	Residue
D	UTP202
D	CTP203
D	HOH317
D	HOH385

---

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	14
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00001","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"3380787","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	6
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	8
Details	Binding site: {}

Chain

Residue

Details

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Catalytic Information from CSA

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
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

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