2IPO

E. coli Aspartate Transcarbamoylase complexed with N-phosphonacetyl-L-asparagine

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 201

Chain	Residue
B	CYS109
B	CYS114
B	CYS138
B	CYS141

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN D 201

Chain	Residue
D	CYS109
D	CYS114
D	CYS138
D	CYS141

---

site_id	AC3
Number of Residues	19
Details	BINDING SITE FOR RESIDUE 1IP A 401

Chain	Residue
A	THR53
A	ARG54
A	THR55
A	SER80
A	LYS84
A	ARG105
A	HIS134
A	GLN137
A	ARG167
A	THR168
A	ARG229
A	GLN231
A	LEU267
A	HOH408
A	HOH409
A	HOH436
A	HOH448
A	HOH507
A	SER52

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE MAE C 411

Chain	Residue
C	PRO3
C	LEU4
C	LYS7
C	ASP14
C	ASP19

---

site_id	AC5
Number of Residues	18
Details	BINDING SITE FOR RESIDUE 1IP C 401

Chain	Residue
C	SER52
C	THR53
C	ARG54
C	THR55
C	SER80
C	LYS84
C	ARG105
C	HIS134
C	GLN137
C	ARG167
C	THR168
C	ARG229
C	GLN231
C	LEU267
C	MAE412
C	HOH419
C	HOH444
C	HOH446

---

site_id	AC6
Number of Residues	11
Details	BINDING SITE FOR RESIDUE MAE C 412

Chain	Residue
C	ARG54
C	THR55
C	HIS134
C	GLN137
C	LEU140
C	PRO266
C	ALA289
C	ARG296
C	1IP401
C	HOH441
C	HOH483

---

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE MPD A 402

Chain	Residue
A	PHE48
A	GLU50
A	ALA51
A	SER52
A	ARG56
A	PHE73
A	SER74
A	ASN78
A	THR79

---

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MPD C 413

Chain	Residue
C	LYS232
C	TYR240

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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

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING:

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

---

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
C	ARG54
C	HIS134
C	ARG105
C	THR55

---

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

---

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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