1R0C

Products in the T State of Aspartate Transcarbamylase: Crystal Structure of the Phosphate and N-carbamyl-L-aspartate Ligated Enzyme

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
G	0004070	molecular_function	aspartate carbamoyltransferase activity
G	0004088	molecular_function	carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity
G	0005515	molecular_function	protein binding
G	0005737	cellular_component	cytoplasm
G	0005829	cellular_component	cytosol
G	0006207	biological_process	'de novo' pyrimidine nucleobase biosynthetic process
G	0006221	biological_process	pyrimidine nucleotide biosynthetic process
G	0006520	biological_process	amino acid metabolic process
G	0006541	biological_process	glutamine metabolic process
G	0009347	cellular_component	aspartate carbamoyltransferase complex
G	0016597	molecular_function	amino acid binding
G	0016740	molecular_function	transferase activity
G	0016743	molecular_function	carboxyl- or carbamoyltransferase activity
G	0042802	molecular_function	identical protein binding
G	0044205	biological_process	'de novo' UMP biosynthetic process
G	0070207	biological_process	protein homotrimerization
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

Functional Information from PDB Data

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN B 1001

Chain	Residue
B	CYS109
B	CYS114
B	CYS138
B	CYS141

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN H 1002

Chain	Residue
H	CYS109
H	CYS114
H	CYS138
H	CYS141

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE PO4 A 3001

Chain	Residue
A	ARG105
A	HIS134
A	GLN137
A	NCD2001
A	HOH3084
A	THR55

---

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE PO4 G 3002

Chain	Residue
G	THR55
G	ARG105
G	HIS134
G	GLN137
G	NCD2002

---

site_id	AC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE NCD A 2001

Chain	Residue
A	ALA51
A	SER52
A	ARG54
A	THR55
A	SER80
A	LYS83
A	ARG105
A	PRO268
A	PO43001
A	HOH3084

---

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE NCD G 2002

Chain	Residue
G	ALA51
G	SER52
G	ARG54
G	THR55
G	SER80
G	LYS83
G	ARG105
G	PO43002

---

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	CYS109
G	HIS106
G	PRO135
G	THR138
G	PRO268
G	ARG269
B	CYS114
B	CYS138
B	CYS141
H	CYS109
H	CYS114
H	CYS138
H	CYS141
G	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
G	GLY85
G	THR168
G	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
G	ARG54
G	HIS134
G	ARG105
G	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
G	THR55	electrostatic stabiliser
G	ARG56	electrostatic stabiliser, increase electrophilicity
G	GLY85	proton shuttle (general acid/base)
G	HIS106	electrostatic stabiliser, increase electrophilicity
G	PRO135	electrostatic stabiliser, increase electrophilicity

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