2AIR

T-state Active Site of Aspartate Transcarbamylase:Crystal Structure of the Carbamyl Phosphate and L-alanosine 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 800

Chain	Residue
B	CYS109
B	CYS114
B	CYS138
B	CYS141

---

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN H 801

Chain	Residue
H	CYS109
H	CYS114
H	CYS138
H	CYS141

---

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE CP A 802

Chain	Residue
A	THR55
A	ARG105
A	HIS134
A	AL0805
A	ARG54

---

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE CP G 803

Chain	Residue
G	ARG54
G	THR55
G	ARG105
G	HIS134
G	ARG229
G	AL0804

---

site_id	AC5
Number of Residues	7
Details	BINDING SITE FOR RESIDUE AL0 G 804

Chain	Residue
G	ALA51
G	SER52
G	ARG54
G	THR55
G	SER80
G	ARG105
G	CP803

---

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE AL0 A 805

Chain	Residue
A	ALA51
A	SER52
A	THR53
A	ARG54
A	SER80
A	ARG105
A	CP802

---

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

---

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	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	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

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