1BXR
STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE COMPLEXED WITH THE ATP ANALOG AMPPNP
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004070 | molecular_function | aspartate carbamoyltransferase activity |
| A | 0004087 | molecular_function | carbamoyl-phosphate synthase (ammonia) activity |
| A | 0004088 | molecular_function | carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity |
| A | 0004151 | molecular_function | dihydroorotase activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0005951 | cellular_component | carbamoyl-phosphate synthase complex |
| A | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| A | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| A | 0006228 | biological_process | UTP biosynthetic process |
| A | 0006526 | biological_process | arginine biosynthetic process |
| A | 0006541 | biological_process | glutamine metabolic process |
| A | 0006807 | biological_process | obsolete nitrogen compound metabolic process |
| A | 0008652 | biological_process | amino acid biosynthetic process |
| A | 0016597 | molecular_function | amino acid binding |
| A | 0016874 | molecular_function | ligase activity |
| A | 0019240 | biological_process | citrulline biosynthetic process |
| A | 0019856 | biological_process | pyrimidine nucleobase biosynthetic process |
| A | 0044205 | biological_process | 'de novo' UMP biosynthetic process |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004088 | molecular_function | carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity |
| B | 0004359 | molecular_function | glutaminase activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0005951 | cellular_component | carbamoyl-phosphate synthase complex |
| B | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| B | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| B | 0006526 | biological_process | arginine biosynthetic process |
| B | 0006541 | biological_process | glutamine metabolic process |
| B | 0008652 | biological_process | amino acid biosynthetic process |
| B | 0016874 | molecular_function | ligase activity |
| B | 0019856 | biological_process | pyrimidine nucleobase biosynthetic process |
| B | 0044205 | biological_process | 'de novo' UMP biosynthetic process |
| B | 0046982 | molecular_function | protein heterodimerization activity |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0004070 | molecular_function | aspartate carbamoyltransferase activity |
| C | 0004087 | molecular_function | carbamoyl-phosphate synthase (ammonia) activity |
| C | 0004088 | molecular_function | carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity |
| C | 0004151 | molecular_function | dihydroorotase activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0005524 | molecular_function | ATP binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005829 | cellular_component | cytosol |
| C | 0005951 | cellular_component | carbamoyl-phosphate synthase complex |
| C | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| C | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| C | 0006228 | biological_process | UTP biosynthetic process |
| C | 0006526 | biological_process | arginine biosynthetic process |
| C | 0006541 | biological_process | glutamine metabolic process |
| C | 0006807 | biological_process | obsolete nitrogen compound metabolic process |
| C | 0008652 | biological_process | amino acid biosynthetic process |
| C | 0016597 | molecular_function | amino acid binding |
| C | 0016874 | molecular_function | ligase activity |
| C | 0019240 | biological_process | citrulline biosynthetic process |
| C | 0019856 | biological_process | pyrimidine nucleobase biosynthetic process |
| C | 0044205 | biological_process | 'de novo' UMP biosynthetic process |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0004088 | molecular_function | carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity |
| D | 0004359 | molecular_function | glutaminase activity |
| D | 0005515 | molecular_function | protein binding |
| D | 0005524 | molecular_function | ATP binding |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005829 | cellular_component | cytosol |
| D | 0005951 | cellular_component | carbamoyl-phosphate synthase complex |
| D | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| D | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| D | 0006526 | biological_process | arginine biosynthetic process |
| D | 0006541 | biological_process | glutamine metabolic process |
| D | 0008652 | biological_process | amino acid biosynthetic process |
| D | 0016874 | molecular_function | ligase activity |
| D | 0019856 | biological_process | pyrimidine nucleobase biosynthetic process |
| D | 0044205 | biological_process | 'de novo' UMP biosynthetic process |
| D | 0046982 | molecular_function | protein heterodimerization activity |
| E | 0000166 | molecular_function | nucleotide binding |
| E | 0004070 | molecular_function | aspartate carbamoyltransferase activity |
| E | 0004087 | molecular_function | carbamoyl-phosphate synthase (ammonia) activity |
| E | 0004088 | molecular_function | carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity |
| E | 0004151 | molecular_function | dihydroorotase activity |
| E | 0005515 | molecular_function | protein binding |
| E | 0005524 | molecular_function | ATP binding |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0005829 | cellular_component | cytosol |
| E | 0005951 | cellular_component | carbamoyl-phosphate synthase complex |
| E | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| E | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| E | 0006228 | biological_process | UTP biosynthetic process |
| E | 0006526 | biological_process | arginine biosynthetic process |
| E | 0006541 | biological_process | glutamine metabolic process |
| E | 0006807 | biological_process | obsolete nitrogen compound metabolic process |
| E | 0008652 | biological_process | amino acid biosynthetic process |
| E | 0016597 | molecular_function | amino acid binding |
| E | 0016874 | molecular_function | ligase activity |
| E | 0019240 | biological_process | citrulline biosynthetic process |
| E | 0019856 | biological_process | pyrimidine nucleobase biosynthetic process |
| E | 0044205 | biological_process | 'de novo' UMP biosynthetic process |
| E | 0046872 | molecular_function | metal ion binding |
| F | 0000166 | molecular_function | nucleotide binding |
| F | 0004088 | molecular_function | carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity |
| F | 0004359 | molecular_function | glutaminase activity |
| F | 0005515 | molecular_function | protein binding |
| F | 0005524 | molecular_function | ATP binding |
| F | 0005737 | cellular_component | cytoplasm |
| F | 0005829 | cellular_component | cytosol |
| F | 0005951 | cellular_component | carbamoyl-phosphate synthase complex |
| F | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| F | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| F | 0006526 | biological_process | arginine biosynthetic process |
| F | 0006541 | biological_process | glutamine metabolic process |
| F | 0008652 | biological_process | amino acid biosynthetic process |
| F | 0016874 | molecular_function | ligase activity |
| F | 0019856 | biological_process | pyrimidine nucleobase biosynthetic process |
| F | 0044205 | biological_process | 'de novo' UMP biosynthetic process |
| F | 0046982 | molecular_function | protein heterodimerization activity |
| G | 0000166 | molecular_function | nucleotide binding |
| G | 0004070 | molecular_function | aspartate carbamoyltransferase activity |
| G | 0004087 | molecular_function | carbamoyl-phosphate synthase (ammonia) activity |
| G | 0004088 | molecular_function | carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity |
| G | 0004151 | molecular_function | dihydroorotase activity |
| G | 0005515 | molecular_function | protein binding |
| G | 0005524 | molecular_function | ATP binding |
| G | 0005737 | cellular_component | cytoplasm |
| G | 0005829 | cellular_component | cytosol |
| G | 0005951 | cellular_component | carbamoyl-phosphate synthase complex |
| G | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| G | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| G | 0006228 | biological_process | UTP biosynthetic process |
| G | 0006526 | biological_process | arginine biosynthetic process |
| G | 0006541 | biological_process | glutamine metabolic process |
| G | 0006807 | biological_process | obsolete nitrogen compound metabolic process |
| G | 0008652 | biological_process | amino acid biosynthetic process |
| G | 0016597 | molecular_function | amino acid binding |
| G | 0016874 | molecular_function | ligase activity |
| G | 0019240 | biological_process | citrulline biosynthetic process |
| G | 0019856 | biological_process | pyrimidine nucleobase biosynthetic process |
| G | 0044205 | biological_process | 'de novo' UMP biosynthetic process |
| G | 0046872 | molecular_function | metal ion binding |
| H | 0000166 | molecular_function | nucleotide binding |
| H | 0004088 | molecular_function | carbamoyl-phosphate synthase (glutamine-hydrolyzing) activity |
| H | 0004359 | molecular_function | glutaminase activity |
| H | 0005515 | molecular_function | protein binding |
| H | 0005524 | molecular_function | ATP binding |
| H | 0005737 | cellular_component | cytoplasm |
| H | 0005829 | cellular_component | cytosol |
| H | 0005951 | cellular_component | carbamoyl-phosphate synthase complex |
| H | 0006207 | biological_process | 'de novo' pyrimidine nucleobase biosynthetic process |
| H | 0006221 | biological_process | pyrimidine nucleotide biosynthetic process |
| H | 0006526 | biological_process | arginine biosynthetic process |
| H | 0006541 | biological_process | glutamine metabolic process |
| H | 0008652 | biological_process | amino acid biosynthetic process |
| H | 0016874 | molecular_function | ligase activity |
| H | 0019856 | biological_process | pyrimidine nucleobase biosynthetic process |
| H | 0044205 | biological_process | 'de novo' UMP biosynthetic process |
| H | 0046982 | molecular_function | protein heterodimerization activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MN A 1074 |
| Chain | Residue |
| A | GLU299 |
| A | ASN301 |
| A | ANP1083 |
| A | HOH1393 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K A 1075 |
| Chain | Residue |
| A | SER247 |
| A | GLU215 |
| A | ASN236 |
| A | ASP238 |
| A | ALA239 |
| A | ILE242 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE K A 1076 |
| Chain | Residue |
| A | ALA126 |
| A | GLU127 |
| A | GLU299 |
| A | MET300 |
| A | ASN301 |
| A | HOH1199 |
| A | HOH1200 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MN A 1077 |
| Chain | Residue |
| A | GLN829 |
| A | GLU841 |
| A | ANP1084 |
| A | HOH1516 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MN A 1078 |
| Chain | Residue |
| A | GLU841 |
| A | ASN843 |
| A | ANP1084 |
| A | HOH1308 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K A 1079 |
| Chain | Residue |
| A | GLU761 |
| A | HIS781 |
| A | GLU783 |
| A | GLN784 |
| A | VAL787 |
| A | SER792 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL A 1080 |
| Chain | Residue |
| A | ASN371 |
| A | PHE900 |
| A | PRO901 |
| A | GLY902 |
| A | HOH1454 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL A 1081 |
| Chain | Residue |
| A | LYS475 |
| A | ASN485 |
| A | HOH1264 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL B 982 |
| Chain | Residue |
| A | GLU549 |
| B | ASP114 |
| B | HOH1007 |
| site_id | BC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL A 1082 |
| Chain | Residue |
| A | ASN289 |
| A | ASN292 |
| A | ARG294 |
| site_id | BC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE K B 984 |
| Chain | Residue |
| B | HIS16 |
| B | ASP112 |
| B | HOH1009 |
| B | HOH1010 |
| B | HOH1063 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MN C 1901 |
| Chain | Residue |
| C | GLU299 |
| C | ASN301 |
| C | ANP1900 |
| C | HOH4295 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K C 1903 |
| Chain | Residue |
| C | GLU215 |
| C | ASN236 |
| C | ASP238 |
| C | ALA239 |
| C | ILE242 |
| C | SER247 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K C 1904 |
| Chain | Residue |
| C | ALA126 |
| C | GLU127 |
| C | GLU299 |
| C | MET300 |
| C | HOH4100 |
| C | HOH4101 |
| site_id | BC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MN C 1911 |
| Chain | Residue |
| C | GLN829 |
| C | GLU841 |
| C | ANP1910 |
| C | HOH4420 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MN C 1912 |
| Chain | Residue |
| C | GLU841 |
| C | ASN843 |
| C | ANP1910 |
| C | HOH4209 |
| site_id | BC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K C 1913 |
| Chain | Residue |
| C | GLU761 |
| C | HIS781 |
| C | GLU783 |
| C | GLN784 |
| C | VAL787 |
| C | SER792 |
| site_id | BC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL C 1980 |
| Chain | Residue |
| C | MET174 |
| C | NET1950 |
| C | HOH4293 |
| C | HOH4447 |
| C | HOH4450 |
| site_id | CC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL C 1981 |
| Chain | Residue |
| C | ALA370 |
| C | ASN371 |
| C | PHE900 |
| C | PRO901 |
| C | GLY902 |
| site_id | CC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL D 1982 |
| Chain | Residue |
| C | GLU549 |
| C | HOH4183 |
| D | ASP114 |
| D | HOH1217 |
| D | HOH1218 |
| site_id | CC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE CL C 1983 |
| Chain | Residue |
| C | ASN289 |
| C | ASN292 |
| C | ARG294 |
| site_id | CC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE K D 3984 |
| Chain | Residue |
| D | HIS16 |
| D | ASP112 |
| D | HOH1529 |
| C | HOH4183 |
| site_id | CC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE K C 3985 |
| Chain | Residue |
| C | THR143 |
| C | ALA144 |
| C | HOH4027 |
| site_id | CC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MN C 3986 |
| Chain | Residue |
| A | HIS680 |
| C | HIS150 |
| C | GLU154 |
| C | HOH4314 |
| site_id | CC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MN E 2901 |
| Chain | Residue |
| E | GLU299 |
| E | ASN301 |
| E | ANP2900 |
| E | HOH3292 |
| site_id | CC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K E 2903 |
| Chain | Residue |
| E | GLU215 |
| E | ASN236 |
| E | ASP238 |
| E | ALA239 |
| E | ILE242 |
| E | SER247 |
| site_id | CC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE K E 2904 |
| Chain | Residue |
| E | ALA126 |
| E | GLU127 |
| E | GLU299 |
| E | MET300 |
| E | ASN301 |
| E | HOH3102 |
| E | HOH3103 |
| E | HOH3292 |
| site_id | DC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MN E 2911 |
| Chain | Residue |
| E | GLN829 |
| E | GLU841 |
| E | ANP2910 |
| site_id | DC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN E 2912 |
| Chain | Residue |
| E | VAL719 |
| E | GLU841 |
| E | ASN843 |
| E | ANP2910 |
| E | HOH3207 |
| site_id | DC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K E 2913 |
| Chain | Residue |
| E | GLU761 |
| E | HIS781 |
| E | GLU783 |
| E | GLN784 |
| E | VAL787 |
| E | SER792 |
| site_id | DC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL E 2980 |
| Chain | Residue |
| E | ALA15 |
| E | ILE18 |
| E | ALA23 |
| E | PHE26 |
| E | HOH2992 |
| site_id | DC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL E 2981 |
| Chain | Residue |
| E | SER854 |
| site_id | DC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE K E 2983 |
| Chain | Residue |
| E | ASP84 |
| E | GLY112 |
| E | THR114 |
| E | HOH3451 |
| site_id | DC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MN G 3901 |
| Chain | Residue |
| G | GLU299 |
| G | ASN301 |
| G | ANP3900 |
| G | HOH4292 |
| site_id | DC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K G 3903 |
| Chain | Residue |
| G | GLU215 |
| G | ASN236 |
| G | ASP238 |
| G | ALA239 |
| G | ILE242 |
| G | SER247 |
| site_id | DC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K G 3904 |
| Chain | Residue |
| G | ALA126 |
| G | GLU127 |
| G | GLU299 |
| G | MET300 |
| G | ASN301 |
| G | HOH4105 |
| site_id | EC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MN G 3911 |
| Chain | Residue |
| G | GLN829 |
| G | GLU841 |
| G | ANP3910 |
| G | HOH4408 |
| site_id | EC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE MN G 3912 |
| Chain | Residue |
| G | VAL719 |
| G | GLU841 |
| G | ASN843 |
| G | ANP3910 |
| G | HOH4209 |
| site_id | EC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE K G 3913 |
| Chain | Residue |
| G | GLU761 |
| G | HIS781 |
| G | GLU783 |
| G | GLN784 |
| G | VAL787 |
| G | SER792 |
| site_id | EC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL G 3980 |
| Chain | Residue |
| G | ALA370 |
| G | ASN371 |
| G | PRO901 |
| G | GLY902 |
| site_id | EC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL G 3981 |
| Chain | Residue |
| G | LYS475 |
| site_id | EC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL G 3982 |
| Chain | Residue |
| G | LYS941 |
| site_id | EC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL G 3983 |
| Chain | Residue |
| G | ASN289 |
| G | ASN292 |
| site_id | EC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE K H 3987 |
| Chain | Residue |
| H | HIS16 |
| H | ASP112 |
| H | HOH3529 |
| site_id | EC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE K G 3988 |
| Chain | Residue |
| G | CYS551 |
| G | ASN554 |
| G | HOH4389 |
| G | HOH4390 |
| site_id | FC1 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE ANP A 1083 |
| Chain | Residue |
| A | ARG129 |
| A | ARG169 |
| A | THR173 |
| A | MET174 |
| A | GLY175 |
| A | GLY176 |
| A | ASP207 |
| A | GLU208 |
| A | LEU210 |
| A | ILE211 |
| A | GLU215 |
| A | MET240 |
| A | GLY241 |
| A | ILE242 |
| A | HIS243 |
| A | THR244 |
| A | GLN285 |
| A | GLU299 |
| A | ASN301 |
| A | ARG303 |
| A | ARG306 |
| A | THR376 |
| A | MN1074 |
| A | HOH1132 |
| A | HOH1441 |
| A | HOH1557 |
| site_id | FC2 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE ANP A 1084 |
| Chain | Residue |
| A | ARG675 |
| A | ARG715 |
| A | VAL719 |
| A | LEU720 |
| A | GLY721 |
| A | GLY722 |
| A | MET725 |
| A | ASP753 |
| A | HIS754 |
| A | PHE755 |
| A | LEU756 |
| A | GLU761 |
| A | ALA785 |
| A | GLY786 |
| A | VAL787 |
| A | HIS788 |
| A | SER789 |
| A | GLN829 |
| A | GLU841 |
| A | ASN843 |
| A | ARG845 |
| A | ARG848 |
| A | PRO909 |
| A | MN1077 |
| A | MN1078 |
| A | HOH1308 |
| A | HOH1516 |
| A | HOH1730 |
| site_id | FC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE ORN A 1085 |
| Chain | Residue |
| A | GLU783 |
| A | ASP791 |
| A | ALA793 |
| A | GLU892 |
| A | LEU907 |
| A | TYR1040 |
| A | ASP1041 |
| A | THR1042 |
| A | HOH1345 |
| A | HOH1362 |
| site_id | FC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NET A 1086 |
| Chain | Residue |
| A | GLN22 |
| A | GLN93 |
| A | THR94 |
| A | ASN936 |
| site_id | FC5 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE ANP C 1900 |
| Chain | Residue |
| C | ARG129 |
| C | ILE167 |
| C | ARG169 |
| C | MET174 |
| C | GLY175 |
| C | GLY176 |
| C | GLU208 |
| C | SER209 |
| C | LEU210 |
| C | ILE211 |
| C | GLU215 |
| C | MET240 |
| C | GLY241 |
| C | ILE242 |
| C | HIS243 |
| C | THR244 |
| C | GLN285 |
| C | GLU299 |
| C | ASN301 |
| C | ARG303 |
| C | ARG306 |
| C | THR376 |
| C | MN1901 |
| C | HOH4031 |
| C | HOH4295 |
| site_id | FC6 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE ANP C 1910 |
| Chain | Residue |
| C | ARG675 |
| C | ARG715 |
| C | VAL719 |
| C | LEU720 |
| C | GLY721 |
| C | GLY722 |
| C | MET725 |
| C | ASP753 |
| C | HIS754 |
| C | PHE755 |
| C | LEU756 |
| C | GLU761 |
| C | GLY786 |
| C | VAL787 |
| C | HIS788 |
| C | SER789 |
| C | GLN829 |
| C | GLU841 |
| C | ASN843 |
| C | ARG845 |
| C | ARG848 |
| C | PRO909 |
| C | MN1911 |
| C | MN1912 |
| C | HOH4420 |
| site_id | FC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE ORN C 1920 |
| Chain | Residue |
| C | GLU783 |
| C | ASP791 |
| C | GLU892 |
| C | VAL893 |
| C | LEU907 |
| C | TYR1040 |
| C | ASP1041 |
| C | THR1042 |
| C | HOH4246 |
| C | HOH4263 |
| site_id | FC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE NET C 1950 |
| Chain | Residue |
| C | GLN22 |
| C | THR94 |
| C | ASN936 |
| C | CL1980 |
| C | HOH4000 |
| site_id | FC9 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE ANP E 2900 |
| Chain | Residue |
| E | ARG129 |
| E | ARG169 |
| E | THR173 |
| E | MET174 |
| E | GLY175 |
| E | GLY176 |
| E | GLU208 |
| E | LEU210 |
| E | ILE211 |
| E | GLU215 |
| E | MET240 |
| E | GLY241 |
| E | ILE242 |
| E | HIS243 |
| E | THR244 |
| E | GLN285 |
| E | GLU299 |
| E | ASN301 |
| E | ARG303 |
| E | ARG306 |
| E | THR376 |
| E | MN2901 |
| E | HOH3033 |
| E | HOH3341 |
| site_id | GC1 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE ANP E 2910 |
| Chain | Residue |
| E | ARG675 |
| E | ARG715 |
| E | VAL719 |
| E | LEU720 |
| E | GLY721 |
| E | GLY722 |
| E | MET725 |
| E | ASP753 |
| E | HIS754 |
| E | PHE755 |
| E | LEU756 |
| E | GLU761 |
| E | ALA785 |
| E | GLY786 |
| E | VAL787 |
| E | HIS788 |
| E | SER789 |
| E | GLN829 |
| E | GLU841 |
| E | ASN843 |
| E | ARG845 |
| E | ARG848 |
| E | MN2911 |
| E | MN2912 |
| E | HOH3414 |
| site_id | GC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE ORN E 2920 |
| Chain | Residue |
| E | GLU783 |
| E | ASP791 |
| E | GLU892 |
| E | LEU907 |
| E | TYR1040 |
| E | ASP1041 |
| E | THR1042 |
| E | HOH3244 |
| E | HOH3261 |
| site_id | GC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NET E 2950 |
| Chain | Residue |
| E | GLN22 |
| E | THR94 |
| E | ASN936 |
| site_id | GC4 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE ANP G 3900 |
| Chain | Residue |
| G | ARG129 |
| G | ILE167 |
| G | ARG169 |
| G | THR173 |
| G | MET174 |
| G | GLY175 |
| G | GLY176 |
| G | GLU208 |
| G | LEU210 |
| G | ILE211 |
| G | GLU215 |
| G | MET240 |
| G | GLY241 |
| G | ILE242 |
| G | HIS243 |
| G | THR244 |
| G | GLN285 |
| G | GLU299 |
| G | ASN301 |
| G | ARG303 |
| G | ARG306 |
| G | THR376 |
| G | MN3901 |
| G | HOH4037 |
| G | HOH4292 |
| G | HOH4338 |
| site_id | GC5 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE ANP G 3910 |
| Chain | Residue |
| G | ARG675 |
| G | ARG715 |
| G | VAL719 |
| G | LEU720 |
| G | GLY721 |
| G | GLY722 |
| G | MET725 |
| G | ASP753 |
| G | HIS754 |
| G | PHE755 |
| G | LEU756 |
| G | GLU761 |
| G | ALA785 |
| G | GLY786 |
| G | VAL787 |
| G | HIS788 |
| G | SER789 |
| G | GLN829 |
| G | ILE840 |
| G | GLU841 |
| G | ASN843 |
| G | ARG845 |
| G | ARG848 |
| G | MN3911 |
| G | MN3912 |
| G | HOH4408 |
| site_id | GC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE ORN G 3920 |
| Chain | Residue |
| G | GLU783 |
| G | ASP791 |
| G | GLU892 |
| G | LEU907 |
| G | TYR1040 |
| G | ASP1041 |
| G | THR1042 |
| G | HOH4245 |
| site_id | GC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE NET G 3950 |
| Chain | Residue |
| G | GLN22 |
| G | THR94 |
| G | ASN97 |
| G | ASN936 |
| G | HOH4005 |
| G | HOH4270 |
Functional Information from PROSITE/UniProt
| site_id | PS00866 |
| Number of Residues | 15 |
| Details | CPSASE_1 Carbamoyl-phosphate synthase subdomain signature 1. FPCIIRPSftmGGsG |
| Chain | Residue | Details |
| A | PHE164-GLY178 | |
| A | TYR710-ALA724 |
| site_id | PS00867 |
| Number of Residues | 8 |
| Details | CPSASE_2 Carbamoyl-phosphate synthase subdomain signature 2. VIEMNPRV |
| Chain | Residue | Details |
| A | VAL297-VAL304 | |
| A | LEU839-ALA846 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Nucleophile => ECO:0000255|HAMAP-Rule:MF_01209 |
| Chain | Residue | Details |
| B | CYS269 | |
| A | THR244 | |
| A | PRO716 | |
| A | PHE755 | |
| A | ASP757 | |
| A | VAL762 | |
| A | VAL787 | |
| A | HIS788 | |
| A | SER789 | |
| A | GLY790 | |
| C | ARG130 | |
| D | CYS269 | |
| C | PRO170 | |
| C | GLY176 | |
| C | SER177 | |
| C | SER209 | |
| C | ILE211 | |
| C | TYR216 | |
| C | ILE242 | |
| C | HIS243 | |
| C | THR244 | |
| C | PRO716 | |
| F | CYS269 | |
| C | PHE755 | |
| C | ASP757 | |
| C | VAL762 | |
| C | VAL787 | |
| C | HIS788 | |
| C | SER789 | |
| C | GLY790 | |
| E | ARG130 | |
| E | PRO170 | |
| E | GLY176 | |
| H | CYS269 | |
| E | SER177 | |
| E | SER209 | |
| E | ILE211 | |
| E | TYR216 | |
| E | ILE242 | |
| E | HIS243 | |
| E | THR244 | |
| E | PRO716 | |
| E | PHE755 | |
| E | ASP757 | |
| A | SER209 | |
| E | VAL762 | |
| E | VAL787 | |
| E | HIS788 | |
| E | SER789 | |
| E | GLY790 | |
| G | ARG130 | |
| G | PRO170 | |
| G | GLY176 | |
| G | SER177 | |
| G | SER209 | |
| A | ILE211 | |
| G | ILE211 | |
| G | TYR216 | |
| G | ILE242 | |
| G | HIS243 | |
| G | THR244 | |
| G | PRO716 | |
| G | PHE755 | |
| G | ASP757 | |
| G | VAL762 | |
| G | VAL787 | |
| A | TYR216 | |
| G | HIS788 | |
| G | SER789 | |
| G | GLY790 | |
| A | ILE242 | |
| A | HIS243 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | ACT_SITE: ACT_SITE => ECO:0000255|HAMAP-Rule:MF_01209 |
| Chain | Residue | Details |
| B | HIS353 | |
| B | GLU355 | |
| D | HIS353 | |
| D | GLU355 | |
| F | HIS353 | |
| F | GLU355 | |
| H | HIS353 | |
| H | GLU355 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 32 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01209, ECO:0000269|PubMed:10587438, ECO:0007744|PDB:1C3O |
| Chain | Residue | Details |
| B | SER47 | |
| D | GLY241 | |
| D | GLY243 | |
| D | LEU270 | |
| D | GLN273 | |
| D | ASN311 | |
| D | GLY313 | |
| D | PHE314 | |
| F | SER47 | |
| F | GLY241 | |
| F | GLY243 | |
| B | GLY241 | |
| F | LEU270 | |
| F | GLN273 | |
| F | ASN311 | |
| F | GLY313 | |
| F | PHE314 | |
| H | SER47 | |
| H | GLY241 | |
| H | GLY243 | |
| H | LEU270 | |
| H | GLN273 | |
| B | GLY243 | |
| H | ASN311 | |
| H | GLY313 | |
| H | PHE314 | |
| B | LEU270 | |
| B | GLN273 | |
| B | ASN311 | |
| B | GLY313 | |
| B | PHE314 | |
| D | SER47 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01210, ECO:0000269|PubMed:10428826, ECO:0000269|PubMed:9636022, ECO:0007744|PDB:1CE8 |
| Chain | Residue | Details |
| A | PHE830 | |
| C | PHE830 | |
| E | PHE830 | |
| G | PHE830 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01210, ECO:0000269|PubMed:10029528, ECO:0000269|PubMed:10089390, ECO:0000269|PubMed:10428826, ECO:0000269|PubMed:9636022, ECO:0007744|PDB:1CE8 |
| Chain | Residue | Details |
| A | VAL842 | |
| C | VAL842 | |
| E | VAL842 | |
| G | VAL842 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01210, ECO:0000269|PubMed:10029528, ECO:0000269|PubMed:10089390 |
| Chain | Residue | Details |
| A | PRO844 | |
| C | PRO844 | |
| E | PRO844 | |
| G | PRO844 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 435 |
| Chain | Residue | Details |
| B | CYS269 | covalent catalysis, proton shuttle (general acid/base) |
| A | VAL304 | electrostatic stabiliser |
| A | PRO716 | electrostatic stabiliser |
| A | GLY722 | electrostatic stabiliser |
| A | ARG723 | electrostatic stabiliser |
| A | VAL762 | steric role |
| A | PHE830 | metal ligand |
| A | VAL842 | metal ligand |
| A | PRO844 | metal ligand |
| A | THR849 | electrostatic stabiliser |
| B | HIS353 | proton shuttle (general acid/base) |
| B | GLU355 | steric role |
| A | TYR216 | steric role |
| A | THR244 | proton shuttle (general acid/base) |
| A | VAL284 | electrostatic stabiliser |
| A | PHE286 | metal ligand |
| A | MET300 | metal ligand |
| A | PRO302 | metal ligand |
| site_id | MCSA2 |
| Number of Residues | 3 |
| Details | M-CSA 435 |
| Chain | Residue | Details |
| D | CYS269 | covalent catalysis, proton shuttle (general acid/base) |
| C | VAL304 | electrostatic stabiliser |
| C | PRO716 | electrostatic stabiliser |
| C | GLY722 | electrostatic stabiliser |
| C | ARG723 | electrostatic stabiliser |
| C | VAL762 | steric role |
| C | PHE830 | metal ligand |
| C | VAL842 | metal ligand |
| C | PRO844 | metal ligand |
| C | THR849 | electrostatic stabiliser |
| D | HIS353 | proton shuttle (general acid/base) |
| D | GLU355 | steric role |
| C | TYR216 | steric role |
| C | THR244 | proton shuttle (general acid/base) |
| C | VAL284 | electrostatic stabiliser |
| C | PHE286 | metal ligand |
| C | MET300 | metal ligand |
| C | PRO302 | metal ligand |
| site_id | MCSA3 |
| Number of Residues | 3 |
| Details | M-CSA 435 |
| Chain | Residue | Details |
| F | CYS269 | covalent catalysis, proton shuttle (general acid/base) |
| E | VAL304 | electrostatic stabiliser |
| E | PRO716 | electrostatic stabiliser |
| E | GLY722 | electrostatic stabiliser |
| E | ARG723 | electrostatic stabiliser |
| E | VAL762 | steric role |
| E | PHE830 | metal ligand |
| E | VAL842 | metal ligand |
| E | PRO844 | metal ligand |
| E | THR849 | electrostatic stabiliser |
| F | HIS353 | proton shuttle (general acid/base) |
| F | GLU355 | steric role |
| E | TYR216 | steric role |
| E | THR244 | proton shuttle (general acid/base) |
| E | VAL284 | electrostatic stabiliser |
| E | PHE286 | metal ligand |
| E | MET300 | metal ligand |
| E | PRO302 | metal ligand |
| site_id | MCSA4 |
| Number of Residues | 3 |
| Details | M-CSA 435 |
| Chain | Residue | Details |
| H | CYS269 | covalent catalysis, proton shuttle (general acid/base) |
| G | VAL304 | electrostatic stabiliser |
| G | PRO716 | electrostatic stabiliser |
| G | GLY722 | electrostatic stabiliser |
| G | ARG723 | electrostatic stabiliser |
| G | VAL762 | steric role |
| G | PHE830 | metal ligand |
| G | VAL842 | metal ligand |
| G | PRO844 | metal ligand |
| G | THR849 | electrostatic stabiliser |
| H | HIS353 | proton shuttle (general acid/base) |
| H | GLU355 | steric role |
| G | TYR216 | steric role |
| G | THR244 | proton shuttle (general acid/base) |
| G | VAL284 | electrostatic stabiliser |
| G | PHE286 | metal ligand |
| G | MET300 | metal ligand |
| G | PRO302 | metal ligand |
