1TUG

Aspartate Transcarbamoylase Catalytic Chain Mutant E50A Complex with Phosphonoacetamide, Malonate, and Cytidine-5-Prime-Triphosphate (CTP)

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	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	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	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 154

Chain	Residue
B	CYS109
B	CYS114
B	CYS138
B	CYS141

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE ZN D 155

Chain	Residue
D	CYS141
D	CYS109
D	CYS114
D	ILE115
D	SER116
D	CYS138

---

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MLI C 1311

Chain	Residue
C	ARG234
C	HOH1440

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site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MLI A 1312

Chain	Residue
A	GLY130
A	SER131
A	ARG167
A	HOH1354

---

site_id	AC5
Number of Residues	13
Details	BINDING SITE FOR RESIDUE PCT C 1313

Chain	Residue
C	SER52
C	THR53
C	ARG54
C	THR55
C	ARG105
C	HIS134
C	LEU267
C	HOH1398
C	HOH1415
C	HOH1429
C	HOH1436
C	HOH1461
C	HOH1474

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE PCT A 1314

Chain	Residue
A	SER52
A	ARG54
A	THR55
A	ARG105
A	HIS134
A	GLN137
A	HOH1398

---

site_id	AC7
Number of Residues	12
Details	BINDING SITE FOR RESIDUE CTP B 1156

Chain	Residue
B	MET1
B	THR2
B	ALA11
B	ILE12
B	ASP19
B	LYS60
B	ILE86
B	TYR89
B	GLU90
B	VAL91
B	LYS94
B	HOH1201

---

site_id	AC8
Number of Residues	12
Details	BINDING SITE FOR RESIDUE CTP D 1157

Chain	Residue
D	THR2
D	GLU10
D	ALA11
D	ILE12
D	ASP19
D	HIS20
D	LYS60
D	ASN84
D	ILE86
D	TYR89
D	LYS94
D	HOH1244

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING:

Chain	Residue	Details
B	PRO110
B	ILE115
B	LYS139
B	GLU142
D	PRO110
D	ILE115
D	LYS139
D	GLU142
C	HIS106
C	PRO135
C	THR138
C	PRO268
C	ARG269
C	ARG56

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00001, ECO:0000305|PubMed:3380787

Chain	Residue	Details
A	GLY85
A	THR168
A	VAL230
C	GLY85
C	THR168
C	VAL230

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Catalytic Information from CSA

site_id	MCSA1
Number of Residues	5
Details	M-CSA 405

Chain	Residue	Details
A	THR55	electrostatic stabiliser
A	ARG56	electrostatic stabiliser, increase electrophilicity
A	GLY85	proton shuttle (general acid/base)
A	HIS106	electrostatic stabiliser, increase electrophilicity
A	PRO135	electrostatic stabiliser, increase electrophilicity

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site_id	MCSA2
Number of Residues	5
Details	M-CSA 405

Chain	Residue	Details
C	THR55	electrostatic stabiliser
C	ARG56	electrostatic stabiliser, increase electrophilicity
C	GLY85	proton shuttle (general acid/base)
C	HIS106	electrostatic stabiliser, increase electrophilicity
C	PRO135	electrostatic stabiliser, increase electrophilicity

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