1R0B
Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R State Bound to PALA, or to Product Analogues Phosphate and Citrate
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 | 0004070 | molecular_function | aspartate carbamoyltransferase activity |
| B | 0004088 | molecular_function | carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| B | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| B | 0006520 | biological_process | amino acid metabolic process |
| B | 0006541 | biological_process | glutamine metabolic process |
| B | 0016597 | molecular_function | amino acid binding |
| B | 0016740 | molecular_function | transferase activity |
| B | 0016743 | molecular_function | carboxyl- or carbamoyltransferase activity |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0044205 | biological_process | 'de novo' UMP biosynthetic process |
| B | 0070207 | biological_process | protein homotrimerization |
| 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 | 0004070 | molecular_function | aspartate carbamoyltransferase activity |
| D | 0004088 | molecular_function | carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity |
| D | 0005515 | molecular_function | protein binding |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| D | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| D | 0006520 | biological_process | amino acid metabolic process |
| D | 0006541 | biological_process | glutamine metabolic process |
| D | 0016597 | molecular_function | amino acid binding |
| D | 0016740 | molecular_function | transferase activity |
| D | 0016743 | molecular_function | carboxyl- or carbamoyltransferase activity |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0044205 | biological_process | 'de novo' UMP biosynthetic process |
| D | 0070207 | biological_process | protein homotrimerization |
| E | 0004070 | molecular_function | aspartate carbamoyltransferase activity |
| E | 0004088 | molecular_function | carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity |
| E | 0005515 | molecular_function | protein binding |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0005829 | cellular_component | cytosol |
| E | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| E | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| E | 0006520 | biological_process | amino acid metabolic process |
| E | 0006541 | biological_process | glutamine metabolic process |
| E | 0016597 | molecular_function | amino acid binding |
| E | 0016740 | molecular_function | transferase activity |
| E | 0016743 | molecular_function | carboxyl- or carbamoyltransferase activity |
| E | 0042802 | molecular_function | identical protein binding |
| E | 0044205 | biological_process | 'de novo' UMP biosynthetic process |
| E | 0070207 | biological_process | protein homotrimerization |
| F | 0004070 | molecular_function | aspartate carbamoyltransferase activity |
| F | 0004088 | molecular_function | carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity |
| F | 0005515 | molecular_function | protein binding |
| F | 0005737 | cellular_component | cytoplasm |
| F | 0005829 | cellular_component | cytosol |
| F | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| F | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| F | 0006520 | biological_process | amino acid metabolic process |
| F | 0006541 | biological_process | glutamine metabolic process |
| F | 0016597 | molecular_function | amino acid binding |
| F | 0016740 | molecular_function | transferase activity |
| F | 0016743 | molecular_function | carboxyl- or carbamoyltransferase activity |
| F | 0042802 | molecular_function | identical protein binding |
| F | 0044205 | biological_process | 'de novo' UMP biosynthetic process |
| F | 0070207 | biological_process | protein homotrimerization |
| G | 0005515 | molecular_function | protein binding |
| G | 0005737 | cellular_component | cytoplasm |
| G | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| G | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| G | 0008270 | molecular_function | zinc ion binding |
| G | 0009347 | cellular_component | aspartate carbamoyltransferase complex |
| G | 0046872 | molecular_function | metal ion binding |
| 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 |
| I | 0005515 | molecular_function | protein binding |
| I | 0005737 | cellular_component | cytoplasm |
| I | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| I | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| I | 0008270 | molecular_function | zinc ion binding |
| I | 0009347 | cellular_component | aspartate carbamoyltransferase complex |
| I | 0046872 | molecular_function | metal ion binding |
| J | 0005515 | molecular_function | protein binding |
| J | 0005737 | cellular_component | cytoplasm |
| J | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| J | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| J | 0008270 | molecular_function | zinc ion binding |
| J | 0009347 | cellular_component | aspartate carbamoyltransferase complex |
| J | 0046872 | molecular_function | metal ion binding |
| K | 0005515 | molecular_function | protein binding |
| K | 0005737 | cellular_component | cytoplasm |
| K | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| K | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| K | 0008270 | molecular_function | zinc ion binding |
| K | 0009347 | cellular_component | aspartate carbamoyltransferase complex |
| K | 0046872 | molecular_function | metal ion binding |
| L | 0005515 | molecular_function | protein binding |
| L | 0005737 | cellular_component | cytoplasm |
| L | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| L | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| L | 0008270 | molecular_function | zinc ion binding |
| L | 0009347 | cellular_component | aspartate carbamoyltransferase complex |
| L | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FLC A 2001 |
| Chain | Residue |
| A | THR55 |
| A | PO43001 |
| B | LYS84 |
| A | ARG105 |
| A | HIS134 |
| A | GLN137 |
| A | ARG167 |
| A | ARG229 |
| A | GLN231 |
| A | PRO266 |
| A | PRO268 |
| site_id | AC2 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE FLC B 2002 |
| Chain | Residue |
| B | THR55 |
| B | ARG105 |
| B | HIS134 |
| B | GLN137 |
| B | ARG167 |
| B | THR168 |
| B | ARG229 |
| B | GLN231 |
| B | PRO266 |
| B | PRO268 |
| B | PO43002 |
| C | LYS84 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE FLC C 2003 |
| Chain | Residue |
| A | LYS84 |
| C | THR55 |
| C | ARG105 |
| C | HIS134 |
| C | GLN137 |
| C | ARG167 |
| C | THR168 |
| C | ARG229 |
| C | GLN231 |
| C | PRO266 |
| C | PRO268 |
| C | PO43003 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE FLC D 2004 |
| Chain | Residue |
| D | THR55 |
| D | ARG105 |
| D | ALA127 |
| D | HIS134 |
| D | GLN137 |
| D | ARG167 |
| D | THR168 |
| D | GLN231 |
| D | PRO266 |
| D | PO43004 |
| F | LYS84 |
| site_id | AC5 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE FLC E 2005 |
| Chain | Residue |
| D | LYS84 |
| E | THR55 |
| E | ARG105 |
| E | HIS134 |
| E | GLN137 |
| E | ARG167 |
| E | THR168 |
| E | ARG229 |
| E | GLN231 |
| E | PRO266 |
| E | PRO268 |
| E | PO43005 |
| site_id | AC6 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE FLC F 2006 |
| Chain | Residue |
| E | LYS84 |
| F | THR55 |
| F | ARG105 |
| F | HIS134 |
| F | GLN137 |
| F | ARG167 |
| F | THR168 |
| F | ARG229 |
| F | GLN231 |
| F | PRO266 |
| F | PRO268 |
| F | PO43006 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN G 1001 |
| Chain | Residue |
| G | CYS109 |
| G | CYS114 |
| G | CYS138 |
| G | CYS141 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN H 1002 |
| Chain | Residue |
| H | CYS109 |
| H | CYS114 |
| H | CYS138 |
| H | CYS141 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN I 1003 |
| Chain | Residue |
| I | CYS109 |
| I | CYS114 |
| I | CYS138 |
| I | CYS141 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN J 1004 |
| Chain | Residue |
| J | CYS109 |
| J | CYS114 |
| J | CYS138 |
| J | CYS141 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN K 1005 |
| Chain | Residue |
| K | CYS109 |
| K | CYS114 |
| K | CYS138 |
| K | CYS141 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN L 1006 |
| Chain | Residue |
| L | CYS109 |
| L | CYS114 |
| L | CYS138 |
| L | CYS141 |
| site_id | BC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PO4 A 3001 |
| Chain | Residue |
| A | PRO268 |
| A | FLC2001 |
| B | SER80 |
| B | LYS84 |
| A | SER52 |
| A | THR53 |
| A | ARG54 |
| A | THR55 |
| A | ARG105 |
| site_id | BC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PO4 B 3002 |
| Chain | Residue |
| B | SER52 |
| B | THR53 |
| B | ARG54 |
| B | THR55 |
| B | ARG105 |
| B | PRO268 |
| B | FLC2002 |
| C | SER80 |
| C | LYS84 |
| site_id | BC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PO4 C 3003 |
| Chain | Residue |
| A | SER80 |
| A | LYS84 |
| C | SER52 |
| C | THR53 |
| C | ARG54 |
| C | THR55 |
| C | ARG105 |
| C | PRO268 |
| C | FLC2003 |
| site_id | BC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE PO4 D 3004 |
| Chain | Residue |
| D | ALA51 |
| D | SER52 |
| D | THR53 |
| D | ARG54 |
| D | THR55 |
| D | ARG105 |
| D | PRO268 |
| D | FLC2004 |
| F | SER80 |
| F | LYS84 |
| site_id | BC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE PO4 E 3005 |
| Chain | Residue |
| D | SER80 |
| D | LYS84 |
| E | SER52 |
| E | THR53 |
| E | ARG54 |
| E | THR55 |
| E | ARG105 |
| E | PRO268 |
| E | FLC2005 |
| site_id | BC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PO4 F 3006 |
| Chain | Residue |
| E | SER80 |
| E | LYS84 |
| F | SER52 |
| F | THR53 |
| F | ARG54 |
| F | THR55 |
| F | ARG105 |
| F | FLC2006 |
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 | 42 |
| 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 | 18 |
| 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 | 24 |
| Details | Binding site: {} |
| Chain | Residue | Details |
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 |
| B | ARG54 | |
| B | HIS134 | |
| B | ARG105 | |
| B | THR55 |
| site_id | CSA3 |
| 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 | CSA4 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1at1 |
| Chain | Residue | Details |
| D | ARG54 | |
| D | HIS134 | |
| D | ARG105 | |
| D | THR55 |
| site_id | CSA5 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1at1 |
| Chain | Residue | Details |
| E | ARG54 | |
| E | HIS134 | |
| E | ARG105 | |
| E | THR55 |
| site_id | CSA6 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1at1 |
| Chain | Residue | Details |
| F | ARG54 | |
| F | HIS134 | |
| F | ARG105 | |
| F | 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 |
| B | ARG54 | electrostatic stabiliser |
| B | THR55 | electrostatic stabiliser, increase electrophilicity |
| B | LYS84 | proton shuttle (general acid/base) |
| B | ARG105 | electrostatic stabiliser, increase electrophilicity |
| B | HIS134 | electrostatic stabiliser, increase electrophilicity |
| site_id | MCSA3 |
| 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 |
| site_id | MCSA4 |
| Number of Residues | 5 |
| Details | M-CSA 405 |
| Chain | Residue | Details |
| G | GLY54 | electrostatic stabiliser |
| G | ARG55 | electrostatic stabiliser, increase electrophilicity |
| G | ASN84 | proton shuttle (general acid/base) |
| G | ASN105 | electrostatic stabiliser, increase electrophilicity |
| G | ILE134 | electrostatic stabiliser, increase electrophilicity |
| site_id | MCSA5 |
| Number of Residues | 5 |
| Details | M-CSA 405 |
| Chain | Residue | Details |
| H | GLY54 | electrostatic stabiliser |
| H | ARG55 | electrostatic stabiliser, increase electrophilicity |
| H | ASN84 | proton shuttle (general acid/base) |
| H | ASN105 | electrostatic stabiliser, increase electrophilicity |
| H | ILE134 | electrostatic stabiliser, increase electrophilicity |
| site_id | MCSA6 |
| Number of Residues | 5 |
| Details | M-CSA 405 |
| Chain | Residue | Details |
| I | GLY54 | electrostatic stabiliser |
| I | ARG55 | electrostatic stabiliser, increase electrophilicity |
| I | ASN84 | proton shuttle (general acid/base) |
| I | ASN105 | electrostatic stabiliser, increase electrophilicity |
| I | ILE134 | electrostatic stabiliser, increase electrophilicity |
