1ce8

CARBAMOYL PHOSPHATE SYNTHETASE FROM ESCHERICHIS COLI WITH COMPLEXED WITH THE ALLOSTERIC LIGAND IMP

Method: X-RAY DIFFRACTION D_max: 255.6 Å Quality: GOOD

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1. Protein Identity and Related Structures Protein Identity & Related Structures

PROTEIN (CARBAMOYL-PHOSPHATE SYNTHASE)

Escherichia coli

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 8 PDB declaration: octameric（8） Consistent with protein copy count	Chain A； UniProt 1–1073 Chain C； UniProt 1–1073 Chain E； UniProt 1–1073 Chain G； UniProt 1–1073	Not recorded	PROTEIN (CARBAMOYL-PHOSPHATE SYNTHASE) × 4 （P0A6F1） MN MANGANESE (II) ION × 12 K POTASSIUM ION × 28 CL CHLORIDE ION × 12 PO4 PHOSPHATE ION × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 8 ORN L-ornithine × 8 IMP INOSINIC ACID × 4 NET TETRAETHYLAMMONIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.4；pH 7.4	Resolution 2.10 Å R-free 0.250
2	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 1–1073	Not recorded	PROTEIN (CARBAMOYL-PHOSPHATE SYNTHASE) × 1 （P0A6F1） MN MANGANESE (II) ION × 3 K POTASSIUM ION × 7 CL CHLORIDE ION × 3 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 2 IMP INOSINIC ACID × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.4；pH 7.4	Resolution 2.10 Å R-free 0.250
3	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain G； UniProt 1–1073	Not recorded	PROTEIN (CARBAMOYL-PHOSPHATE SYNTHASE) × 1 （P0A6F1） MN MANGANESE (II) ION × 3 K POTASSIUM ION × 7 CL CHLORIDE ION × 3 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 2 IMP INOSINIC ACID × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.4；pH 7.4	Resolution 2.10 Å R-free 0.250
4	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain C； UniProt 1–1073	Not recorded	PROTEIN (CARBAMOYL-PHOSPHATE SYNTHASE) × 1 （P0A6F1） MN MANGANESE (II) ION × 3 K POTASSIUM ION × 7 CL CHLORIDE ION × 3 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 2 IMP INOSINIC ACID × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.4；pH 7.4	Resolution 2.10 Å R-free 0.250
5	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain E； UniProt 1–1073	Not recorded	PROTEIN (CARBAMOYL-PHOSPHATE SYNTHASE) × 1 （P0A6F1） MN MANGANESE (II) ION × 3 K POTASSIUM ION × 7 CL CHLORIDE ION × 3 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 2 IMP INOSINIC ACID × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.4；pH 7.4	Resolution 2.10 Å R-free 0.250

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 1CE8	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1A9X CARBAMOYL PHOSPHATE SYNTHETASE: CAUGHT IN THE ACT OF GLUTAMINE HYDROLYSIS Deposited 1998-04-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain A 1–1072（1072 aa） Chain C 1–1072（1072 aa） Chain E 1–1072（1072 aa） Chain G 1–1072（1072 aa）	Not recorded	PO4 PHOSPHATE ION × 15 MN MANGANESE (II) ION × 12 K POTASSIUM ION × 32 CL CHLORIDE ION × 28 ADP ADENOSINE-5'-DIPHOSPHATE × 8 ORN L-ornithine × 4 NET TETRAETHYLAMMONIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；0.65M NET4CL 8% PEG 8000 100MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 5MM GLUTAMINE 25MM HEPES PH 7.4 THEN SOAKED INTO: 1.4M NET4CL 8% PEG 8000 250MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 5MM GLUTAMINE 25MM HEPES PH 7.4 7.5% ETHYLENE GLYCOL	Resolution 1.80 Å
1A9X CARBAMOYL PHOSPHATE SYNTHETASE: CAUGHT IN THE ACT OF GLUTAMINE HYDROLYSIS Deposited 1998-04-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–1072（1072 aa）	Not recorded	PO4 PHOSPHATE ION × 4 MN MANGANESE (II) ION × 3 K POTASSIUM ION × 8 CL CHLORIDE ION × 7 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；0.65M NET4CL 8% PEG 8000 100MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 5MM GLUTAMINE 25MM HEPES PH 7.4 THEN SOAKED INTO: 1.4M NET4CL 8% PEG 8000 250MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 5MM GLUTAMINE 25MM HEPES PH 7.4 7.5% ETHYLENE GLYCOL	Resolution 1.80 Å
1A9X CARBAMOYL PHOSPHATE SYNTHETASE: CAUGHT IN THE ACT OF GLUTAMINE HYDROLYSIS Deposited 1998-04-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain G 1–1072（1072 aa）	Not recorded	PO4 PHOSPHATE ION × 4 MN MANGANESE (II) ION × 3 K POTASSIUM ION × 8 CL CHLORIDE ION × 7 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；0.65M NET4CL 8% PEG 8000 100MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 5MM GLUTAMINE 25MM HEPES PH 7.4 THEN SOAKED INTO: 1.4M NET4CL 8% PEG 8000 250MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 5MM GLUTAMINE 25MM HEPES PH 7.4 7.5% ETHYLENE GLYCOL	Resolution 1.80 Å
1A9X CARBAMOYL PHOSPHATE SYNTHETASE: CAUGHT IN THE ACT OF GLUTAMINE HYDROLYSIS Deposited 1998-04-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 1–1072（1072 aa）	Not recorded	PO4 PHOSPHATE ION × 4 MN MANGANESE (II) ION × 3 K POTASSIUM ION × 8 CL CHLORIDE ION × 7 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；0.65M NET4CL 8% PEG 8000 100MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 5MM GLUTAMINE 25MM HEPES PH 7.4 THEN SOAKED INTO: 1.4M NET4CL 8% PEG 8000 250MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 5MM GLUTAMINE 25MM HEPES PH 7.4 7.5% ETHYLENE GLYCOL	Resolution 1.80 Å
1A9X CARBAMOYL PHOSPHATE SYNTHETASE: CAUGHT IN THE ACT OF GLUTAMINE HYDROLYSIS Deposited 1998-04-14	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 1–1072（1072 aa）	Not recorded	PO4 PHOSPHATE ION × 3 MN MANGANESE (II) ION × 3 K POTASSIUM ION × 8 CL CHLORIDE ION × 7 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；0.65M NET4CL 8% PEG 8000 100MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 5MM GLUTAMINE 25MM HEPES PH 7.4 THEN SOAKED INTO: 1.4M NET4CL 8% PEG 8000 250MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 5MM GLUTAMINE 25MM HEPES PH 7.4 7.5% ETHYLENE GLYCOL	Resolution 1.80 Å
1BXR STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE COMPLEXED WITH THE ATP ANALOG AMPPNP Deposited 1998-10-08	Different construct Different ligand/ion Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain A 1–1072（1072 aa） Chain C 1–1072（1072 aa） Chain E 1–1072（1072 aa） Chain G 1–1072（1072 aa）	Not recorded	MN MANGANESE (II) ION × 13 K POTASSIUM ION × 19 CL CHLORIDE ION × 14 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 8 ORN L-ornithine × 4 NET TETRAETHYLAMMONIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；pH 7.4	Resolution 2.10 Å
1BXR STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE COMPLEXED WITH THE ATP ANALOG AMPPNP Deposited 1998-10-08	Different construct Different ligand/ion Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 1–1072（1072 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 5 CL CHLORIDE ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；pH 7.4	Resolution 2.10 Å
1BXR STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE COMPLEXED WITH THE ATP ANALOG AMPPNP Deposited 1998-10-08	Different construct Different ligand/ion Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 1–1072（1072 aa）	Not recorded	MN MANGANESE (II) ION × 4 K POTASSIUM ION × 5 CL CHLORIDE ION × 4 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；pH 7.4	Resolution 2.10 Å
1BXR STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE COMPLEXED WITH THE ATP ANALOG AMPPNP Deposited 1998-10-08	Different construct Different ligand/ion Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–1072（1072 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 4 CL CHLORIDE ION × 4 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；pH 7.4	Resolution 2.10 Å
1BXR STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE COMPLEXED WITH THE ATP ANALOG AMPPNP Deposited 1998-10-08	Different construct Different ligand/ion Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain G 1–1072（1072 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 5 CL CHLORIDE ION × 4 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；pH 7.4	Resolution 2.10 Å
1C30 CRYSTAL STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE: SMALL SUBUNIT MUTATION C269S Deposited 1999-07-24	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain A 1–1073（1073 aa） Chain C 1–1073（1073 aa） Chain E 1–1073（1073 aa） Chain G 1–1073（1073 aa）	Not recorded	MN MANGANESE (II) ION × 12 K POTASSIUM ION × 32 CL CHLORIDE ION × 16 PO4 PHOSPHATE ION × 6 ORN L-ornithine × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 8 NET TETRAETHYLAMMONIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions BATCH；pH 7.4；277 K；PEG 8000, POTASSIUM CHLORIDE, MANGANESE CHLORIDE, TETRAETHYLAMMONIUM CHLORIDE, L-ORNITHINE, ADP, BERYLLIUM FLUORIDE, HEPPS, pH 7.4, BATCH, temperature 277.0K	Resolution 2.00 Å R-free 0.246
1C30 CRYSTAL STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE: SMALL SUBUNIT MUTATION C269S Deposited 1999-07-24	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain G 1–1073（1073 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 8 CL CHLORIDE ION × 4 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions BATCH；pH 7.4；277 K；PEG 8000, POTASSIUM CHLORIDE, MANGANESE CHLORIDE, TETRAETHYLAMMONIUM CHLORIDE, L-ORNITHINE, ADP, BERYLLIUM FLUORIDE, HEPPS, pH 7.4, BATCH, temperature 277.0K	Resolution 2.00 Å R-free 0.246
1C30 CRYSTAL STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE: SMALL SUBUNIT MUTATION C269S Deposited 1999-07-24	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–1073（1073 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 8 CL CHLORIDE ION × 4 PO4 PHOSPHATE ION × 1 ORN L-ornithine × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 2 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions BATCH；pH 7.4；277 K；PEG 8000, POTASSIUM CHLORIDE, MANGANESE CHLORIDE, TETRAETHYLAMMONIUM CHLORIDE, L-ORNITHINE, ADP, BERYLLIUM FLUORIDE, HEPPS, pH 7.4, BATCH, temperature 277.0K	Resolution 2.00 Å R-free 0.246
1C30 CRYSTAL STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE: SMALL SUBUNIT MUTATION C269S Deposited 1999-07-24	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 1–1073（1073 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 8 CL CHLORIDE ION × 4 PO4 PHOSPHATE ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions BATCH；pH 7.4；277 K；PEG 8000, POTASSIUM CHLORIDE, MANGANESE CHLORIDE, TETRAETHYLAMMONIUM CHLORIDE, L-ORNITHINE, ADP, BERYLLIUM FLUORIDE, HEPPS, pH 7.4, BATCH, temperature 277.0K	Resolution 2.00 Å R-free 0.246
1C30 CRYSTAL STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE: SMALL SUBUNIT MUTATION C269S Deposited 1999-07-24	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 1–1073（1073 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 8 CL CHLORIDE ION × 4 PO4 PHOSPHATE ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions BATCH；pH 7.4；277 K；PEG 8000, POTASSIUM CHLORIDE, MANGANESE CHLORIDE, TETRAETHYLAMMONIUM CHLORIDE, L-ORNITHINE, ADP, BERYLLIUM FLUORIDE, HEPPS, pH 7.4, BATCH, temperature 277.0K	Resolution 2.00 Å R-free 0.246
1C3O CRYSTAL STRUCTURE OF THE CARBAMOYL PHOSPHATE SYNTHETASE: SMALL SUBUNIT MUTANT C269S WITH BOUND GLUTAMINE Deposited 1999-07-28	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain A 1–1073（1073 aa） Chain C 1–1073（1073 aa） Chain E 1–1073（1073 aa） Chain G 1–1073（1073 aa）	Not recorded	MN MANGANESE (II) ION × 12 K POTASSIUM ION × 32 CL CHLORIDE ION × 16 PO4 PHOSPHATE ION × 5 ADP ADENOSINE-5'-DIPHOSPHATE × 8 ORN L-ornithine × 4 GLN GLUTAMINE × 8 NET TETRAETHYLAMMONIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions BATCH；pH 7.4；278 K；PEG-8000, MANGANESE CHLORIDE, TETRAETHYLAMMONIUM CHLORIDE, POTASSIUM CHLORIDE, BERYLLIUM FLUORIDE, ADENOSINE 5'-DIPHOSPHATE,L-ORNITHINE, L-GLUTAMINE, HEPPS, pH 7.4, BATCH, temperature 278K	Resolution 2.10 Å R-free 0.258
1CS0 Crystal structure of carbamoyl phosphate synthetase complexed at CYS269 in the small subunit with the tetrahedral mimic l-glutamate gamma-semialdehyde Deposited 1999-08-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain A 1–1073（1073 aa） Chain C 1–1073（1073 aa） Chain E 1–1073（1073 aa） Chain G 1–1073（1073 aa）	Not recorded	MN MANGANESE (II) ION × 12 K POTASSIUM ION × 33 CL CHLORIDE ION × 29 PO4 PHOSPHATE ION × 5 ADP ADENOSINE-5'-DIPHOSPHATE × 8 ORN L-ornithine × 4 NET TETRAETHYLAMMONIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions BATCH；pH 7.4；277 K；PEG 8000, TETRAETHYLAMMONIUM CHLORIDE, POTASSIUM CHLORIDE, MANGANESE(II) CHLORIDE, ADENOSINE 5'-DIPHOSPHATE, L-ORNITHINE, L-GLUTAMATE GAMMA-SEMIALDEHYDE, pH 7.4, BATCH, temperature 277K	Resolution 2.00 Å R-free 0.242
1CS0 Crystal structure of carbamoyl phosphate synthetase complexed at CYS269 in the small subunit with the tetrahedral mimic l-glutamate gamma-semialdehyde Deposited 1999-08-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 1–1073（1073 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 8 CL CHLORIDE ION × 7 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions BATCH；pH 7.4；277 K；PEG 8000, TETRAETHYLAMMONIUM CHLORIDE, POTASSIUM CHLORIDE, MANGANESE(II) CHLORIDE, ADENOSINE 5'-DIPHOSPHATE, L-ORNITHINE, L-GLUTAMATE GAMMA-SEMIALDEHYDE, pH 7.4, BATCH, temperature 277K	Resolution 2.00 Å R-free 0.242
1CS0 Crystal structure of carbamoyl phosphate synthetase complexed at CYS269 in the small subunit with the tetrahedral mimic l-glutamate gamma-semialdehyde Deposited 1999-08-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain G 1–1073（1073 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 8 CL CHLORIDE ION × 7 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions BATCH；pH 7.4；277 K；PEG 8000, TETRAETHYLAMMONIUM CHLORIDE, POTASSIUM CHLORIDE, MANGANESE(II) CHLORIDE, ADENOSINE 5'-DIPHOSPHATE, L-ORNITHINE, L-GLUTAMATE GAMMA-SEMIALDEHYDE, pH 7.4, BATCH, temperature 277K	Resolution 2.00 Å R-free 0.242
1CS0 Crystal structure of carbamoyl phosphate synthetase complexed at CYS269 in the small subunit with the tetrahedral mimic l-glutamate gamma-semialdehyde Deposited 1999-08-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–1073（1073 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 8 CL CHLORIDE ION × 8 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions BATCH；pH 7.4；277 K；PEG 8000, TETRAETHYLAMMONIUM CHLORIDE, POTASSIUM CHLORIDE, MANGANESE(II) CHLORIDE, ADENOSINE 5'-DIPHOSPHATE, L-ORNITHINE, L-GLUTAMATE GAMMA-SEMIALDEHYDE, pH 7.4, BATCH, temperature 277K	Resolution 2.00 Å R-free 0.242
1CS0 Crystal structure of carbamoyl phosphate synthetase complexed at CYS269 in the small subunit with the tetrahedral mimic l-glutamate gamma-semialdehyde Deposited 1999-08-16	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 1–1073（1073 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 9 CL CHLORIDE ION × 7 PO4 PHOSPHATE ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions BATCH；pH 7.4；277 K；PEG 8000, TETRAETHYLAMMONIUM CHLORIDE, POTASSIUM CHLORIDE, MANGANESE(II) CHLORIDE, ADENOSINE 5'-DIPHOSPHATE, L-ORNITHINE, L-GLUTAMATE GAMMA-SEMIALDEHYDE, pH 7.4, BATCH, temperature 277K	Resolution 2.00 Å R-free 0.242
1JDB CARBAMOYL PHOSPHATE SYNTHETASE FROM ESCHERICHIA COLI Deposited 1997-03-25	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain B 1–1072（1072 aa） Chain E 1–1072（1072 aa） Chain H 1–1072（1072 aa） Chain K 1–1072（1072 aa）	Not recorded	MN MANGANESE (II) ION × 16 K POTASSIUM ION × 29 PO4 PHOSPHATE ION × 9 CL CHLORIDE ION × 29 GLN GLUTAMINE × 8 ADP ADENOSINE-5'-DIPHOSPHATE × 8 ORN L-ornithine × 4 NET TETRAETHYLAMMONIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；0.65M TETRAETHYL AMMONIUM CHLORIDE (E4NCL) 8% PEG 8000 100MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 25MM HEPES PH 7.4. THE CRYSTAL WAS SOAKED INTO: 1.4M E4NCL 8% PEG 8000 250MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 25MM GLUTAMINE 25MM HEPES PH 7.4 7.5% ETHYLENE GLYCOL.	Resolution 2.10 Å
1JDB CARBAMOYL PHOSPHATE SYNTHETASE FROM ESCHERICHIA COLI Deposited 1997-03-25	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–1072（1072 aa）	Not recorded	MN MANGANESE (II) ION × 4 K POTASSIUM ION × 7 PO4 PHOSPHATE ION × 2 CL CHLORIDE ION × 7 GLN GLUTAMINE × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；0.65M TETRAETHYL AMMONIUM CHLORIDE (E4NCL) 8% PEG 8000 100MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 25MM HEPES PH 7.4. THE CRYSTAL WAS SOAKED INTO: 1.4M E4NCL 8% PEG 8000 250MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 25MM GLUTAMINE 25MM HEPES PH 7.4 7.5% ETHYLENE GLYCOL.	Resolution 2.10 Å
1JDB CARBAMOYL PHOSPHATE SYNTHETASE FROM ESCHERICHIA COLI Deposited 1997-03-25	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain H 1–1072（1072 aa）	Not recorded	MN MANGANESE (II) ION × 4 K POTASSIUM ION × 6 PO4 PHOSPHATE ION × 2 CL CHLORIDE ION × 7 GLN GLUTAMINE × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；0.65M TETRAETHYL AMMONIUM CHLORIDE (E4NCL) 8% PEG 8000 100MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 25MM HEPES PH 7.4. THE CRYSTAL WAS SOAKED INTO: 1.4M E4NCL 8% PEG 8000 250MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 25MM GLUTAMINE 25MM HEPES PH 7.4 7.5% ETHYLENE GLYCOL.	Resolution 2.10 Å
1JDB CARBAMOYL PHOSPHATE SYNTHETASE FROM ESCHERICHIA COLI Deposited 1997-03-25	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain K 1–1072（1072 aa）	Not recorded	MN MANGANESE (II) ION × 4 K POTASSIUM ION × 8 PO4 PHOSPHATE ION × 3 CL CHLORIDE ION × 7 GLN GLUTAMINE × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；0.65M TETRAETHYL AMMONIUM CHLORIDE (E4NCL) 8% PEG 8000 100MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 25MM HEPES PH 7.4. THE CRYSTAL WAS SOAKED INTO: 1.4M E4NCL 8% PEG 8000 250MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 25MM GLUTAMINE 25MM HEPES PH 7.4 7.5% ETHYLENE GLYCOL.	Resolution 2.10 Å
1JDB CARBAMOYL PHOSPHATE SYNTHETASE FROM ESCHERICHIA COLI Deposited 1997-03-25	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 1–1072（1072 aa）	Not recorded	MN MANGANESE (II) ION × 4 K POTASSIUM ION × 8 PO4 PHOSPHATE ION × 2 CL CHLORIDE ION × 8 GLN GLUTAMINE × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；0.65M TETRAETHYL AMMONIUM CHLORIDE (E4NCL) 8% PEG 8000 100MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 25MM HEPES PH 7.4. THE CRYSTAL WAS SOAKED INTO: 1.4M E4NCL 8% PEG 8000 250MM KCL 2.5MM MNCL2 2.5MM ADP 2.5MM ORNITHINE 25MM GLUTAMINE 25MM HEPES PH 7.4 7.5% ETHYLENE GLYCOL.	Resolution 2.10 Å
1KEE Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase by the Antibiotic Acivicin Deposited 2001-11-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain A 0–1072（1073 aa） Chain C 0–1072（1073 aa） Chain E 0–1072（1073 aa） Chain G 0–1072（1073 aa）	Not recorded	MN MANGANESE (II) ION × 12 K POTASSIUM ION × 32 CL CHLORIDE ION × 22 PO4 PHOSPHATE ION × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 8 ORN L-ornithine × 4 NET TETRAETHYLAMMONIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions batch；pH 7.4；277 K；PEG 8000, Hepes, potassium chloride, manganese chloride, ornithine, tetraethylammonium chloride, HEPPS, pH 7.4, batch, temperature 277K	Resolution 2.10 Å R-free 0.211
1KEE Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase by the Antibiotic Acivicin Deposited 2001-11-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain G 0–1072（1073 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 8 CL CHLORIDE ION × 5 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions batch；pH 7.4；277 K；PEG 8000, Hepes, potassium chloride, manganese chloride, ornithine, tetraethylammonium chloride, HEPPS, pH 7.4, batch, temperature 277K	Resolution 2.10 Å R-free 0.211
1KEE Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase by the Antibiotic Acivicin Deposited 2001-11-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 0–1072（1073 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 8 CL CHLORIDE ION × 5 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions batch；pH 7.4；277 K；PEG 8000, Hepes, potassium chloride, manganese chloride, ornithine, tetraethylammonium chloride, HEPPS, pH 7.4, batch, temperature 277K	Resolution 2.10 Å R-free 0.211
1KEE Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase by the Antibiotic Acivicin Deposited 2001-11-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 0–1072（1073 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 8 CL CHLORIDE ION × 6 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions batch；pH 7.4；277 K；PEG 8000, Hepes, potassium chloride, manganese chloride, ornithine, tetraethylammonium chloride, HEPPS, pH 7.4, batch, temperature 277K	Resolution 2.10 Å R-free 0.211
1KEE Inactivation of the Amidotransferase Activity of Carbamoyl Phosphate Synthetase by the Antibiotic Acivicin Deposited 2001-11-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 0–1072（1073 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 8 CL CHLORIDE ION × 6 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions batch；pH 7.4；277 K；PEG 8000, Hepes, potassium chloride, manganese chloride, ornithine, tetraethylammonium chloride, HEPPS, pH 7.4, batch, temperature 277K	Resolution 2.10 Å R-free 0.211
1M6V Crystal Structure of the G359F (small subunit) Point Mutant of Carbamoyl Phosphate Synthetase Deposited 2002-07-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain A 0–1072（1073 aa） Chain C 0–1072（1073 aa） Chain E 0–1072（1073 aa） Chain G 0–1072（1073 aa）	Not recorded	MN MANGANESE (II) ION × 12 K POTASSIUM ION × 26 CL CHLORIDE ION × 28 PO4 PHOSPHATE ION × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 8 ORN L-ornithine × 4 NET TETRAETHYLAMMONIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions batch；pH 7.4；277 K；PEG-8000, manganese chloride, potassium chloride, ADP, ornithine, tetraethylammonium chloride, HEPPS, pH 7.4, batch, temperature 277K	Resolution 2.10 Å R-free 0.245
1T36 Crystal structure of E. coli carbamoyl phosphate synthetase small subunit mutant C248D complexed with uridine 5'-monophosphate Deposited 2004-04-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain A 0–1072（1073 aa） Chain C 0–1072（1073 aa） Chain E 0–1072（1073 aa） Chain G 0–1072（1073 aa）	Not recorded	MN MANGANESE (II) ION × 12 K POTASSIUM ION × 22 PO4 PHOSPHATE ION × 5 CL CHLORIDE ION × 27 ADP ADENOSINE-5'-DIPHOSPHATE × 8 ORN L-ornithine × 4 NET TETRAETHYLAMMONIUM ION × 4 U5P URIDINE-5'-MONOPHOSPHATE × 4	X-RAY DIFFRACTION X-ray crystallization conditions batch；pH 7.4；277 K；PEG 8000, tetramethylammonium chloride, potassium chloride, manganese chloride, ornithine, ADP, HEPES, pH 7.4, batch, temperature 277K	Resolution 2.10 Å R-free 0.209

9 other PDB entries and 33 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	CARB_ECOLI
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–1073； UniProt 1–1073 Author chain C； PDBConstruct 1–1073； UniProt 1–1073 Author chain E； PDBConstruct 1–1073； UniProt 1–1073 Author chain G； PDBConstruct 1–1073； UniProt 1–1073

PROTEIN (CARBAMOYL-PHOSPHATE SYNTHASE)

Escherichia coli

UniProt P0A6F1

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 8 PDB declaration: octameric（8） Consistent with protein copy count	Chain B； UniProt 1–382 Chain D； UniProt 1–382 Chain F； UniProt 1–382 Chain H； UniProt 1–382	Not recorded	PROTEIN (CARBAMOYL-PHOSPHATE SYNTHASE) × 4 （P00968） MN MANGANESE (II) ION × 12 K POTASSIUM ION × 28 CL CHLORIDE ION × 12 PO4 PHOSPHATE ION × 4 ADP ADENOSINE-5'-DIPHOSPHATE × 8 ORN L-ornithine × 8 IMP INOSINIC ACID × 4 NET TETRAETHYLAMMONIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.4；pH 7.4	Resolution 2.10 Å R-free 0.250
2	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 1–382	Not recorded	PROTEIN (CARBAMOYL-PHOSPHATE SYNTHASE) × 1 （P00968） MN MANGANESE (II) ION × 3 K POTASSIUM ION × 7 CL CHLORIDE ION × 3 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 2 IMP INOSINIC ACID × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.4；pH 7.4	Resolution 2.10 Å R-free 0.250
3	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain H； UniProt 1–382	Not recorded	PROTEIN (CARBAMOYL-PHOSPHATE SYNTHASE) × 1 （P00968） MN MANGANESE (II) ION × 3 K POTASSIUM ION × 7 CL CHLORIDE ION × 3 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 2 IMP INOSINIC ACID × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.4；pH 7.4	Resolution 2.10 Å R-free 0.250
4	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain D； UniProt 1–382	Not recorded	PROTEIN (CARBAMOYL-PHOSPHATE SYNTHASE) × 1 （P00968） MN MANGANESE (II) ION × 3 K POTASSIUM ION × 7 CL CHLORIDE ION × 3 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 2 IMP INOSINIC ACID × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.4；pH 7.4	Resolution 2.10 Å R-free 0.250
5	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain F； UniProt 1–382	Not recorded	PROTEIN (CARBAMOYL-PHOSPHATE SYNTHASE) × 1 （P00968） MN MANGANESE (II) ION × 3 K POTASSIUM ION × 7 CL CHLORIDE ION × 3 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 ORN L-ornithine × 2 IMP INOSINIC ACID × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.4；pH 7.4	Resolution 2.10 Å R-free 0.250

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 1CE8	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1BXR STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE COMPLEXED WITH THE ATP ANALOG AMPPNP Deposited 1998-10-08	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric	Chain B 1–382（382 aa） Chain D 1–382（382 aa） Chain F 1–382（382 aa） Chain H 1–382（382 aa）	Not recorded	MN MANGANESE (II) ION × 13 K POTASSIUM ION × 19 CL CHLORIDE ION × 14 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 8 ORN L-ornithine × 4 NET TETRAETHYLAMMONIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；pH 7.4	Resolution 2.10 Å
1BXR STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE COMPLEXED WITH THE ATP ANALOG AMPPNP Deposited 1998-10-08	Different ligand/ion Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain F 1–382（382 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 5 CL CHLORIDE ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；pH 7.4	Resolution 2.10 Å
1BXR STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE COMPLEXED WITH THE ATP ANALOG AMPPNP Deposited 1998-10-08	Different ligand/ion Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 1–382（382 aa）	Not recorded	MN MANGANESE (II) ION × 4 K POTASSIUM ION × 5 CL CHLORIDE ION × 4 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；pH 7.4	Resolution 2.10 Å
1BXR STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE COMPLEXED WITH THE ATP ANALOG AMPPNP Deposited 1998-10-08	Different ligand/ion Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–382（382 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 4 CL CHLORIDE ION × 4 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；pH 7.4	Resolution 2.10 Å
1BXR STRUCTURE OF CARBAMOYL PHOSPHATE SYNTHETASE COMPLEXED WITH THE ATP ANALOG AMPPNP Deposited 1998-10-08	Different ligand/ion Different structure-quality metrics	Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain H 1–382（382 aa）	Not recorded	MN MANGANESE (II) ION × 3 K POTASSIUM ION × 5 CL CHLORIDE ION × 4 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 ORN L-ornithine × 1 NET TETRAETHYLAMMONIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.4；pH 7.4	Resolution 2.10 Å

1 other PDB entries and 5 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	CARA_ECOLI
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 2–380； UniProt 1–382 Author chain D； PDBConstruct 2–380； UniProt 1–382 Author chain F； PDBConstruct 2–380； UniProt 1–382 Author chain H； PDBConstruct 2–380； UniProt 1–382

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	1ce8
Deposition date deposition_date	1999-03-18
Structure title title	CARBAMOYL PHOSPHATE SYNTHETASE FROM ESCHERICHIS COLI WITH COMPLEXED WITH THE ALLOSTERIC LIGAND IMP
Keywords keywords	IMP, ALLOSTERIC LIGAND, LIGASE IMP; LIGASE IMP
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	71.92 Å
Radius of gyration Rg (electron density) rg_electron	72.04 Å
Forward intensity I(0) i0	5776140000.00
Molecular weight molecular_weight	638370.0 kDa
Excluded volume excluded_volume	796160 Å³
Envelope volume envelope_volume	1148100 Å³
Hydration-shell volume shell_volume	131680 Å³
Envelope diameter envelope_diameter	239.8 Å
Shell Rg shell_rg	75.44 Å
Envelope Rg envelope_rg	68.66 Å
Shape Rg shape_rg	72.07 Å
Total Rg total_rg	71.96 Å
Total atoms total_atoms	44708
Residues n_residues	5748
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	255.6 Å
Rg (real space) rg_real	71.98 Å
Rg uncertainty (real space) rg_real_error	2.73 Å
I(0) (real space) i0_real	5.7760e+09
I(0) uncertainty (real space) i0_real_error	1.2750e+08
Rg (reciprocal space) rg_reciprocal	71.58 Å
I(0) (reciprocal space) i0_reciprocal	5771000000.0000
Solution quality estimate total_estimate	0.8560
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	92.9 Å
Skewness Skewness skewness	0.249
Kurtosis Kurtosis kurtosis	-0.562
Angular range angular_range	— – 0.1100 Å⁻¹
Current regularization parameter α current_alpha	0.0005
Highest regularization parameter α highest_alpha	191900000.0000
Real-space data points n_real_points	23
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.798; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.731

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (11)

Entity 1 Entity 1 polymer

Description description	PROTEIN (CARBAMOYL-PHOSPHATE SYNTHASE)
Molecular weight formula_weight	117982.7 kDa
EC 编号 ec_number	6.3.5.5
Source method src_method	man
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,C,E,G
Atom count atom_count	48888

MPKRTDIKSILILGAGPIVIGQACEFDYSGAQACKALREEGYRVINVNSNPATIMTDPEMADATYIEPIHWEVVRKIIEKERPDAVLPTMGGQTALNCALELERQGVLEEFGVTMIGATADAIDKAEDRRRFDVAMKKIGLETARSGIAHTMEEALAVAADVGFPCIIRPSFTMGGSGGGIAYNREEFEEICARGLDLSPTKELLIDESLIGWKEYEMEVVRDKNDNCIIVCSIENFDAMGIHTGDSITVAPAQTLTDKEYQIMRNASMAVLREIGVETGGSNVQFAVNPKNGRLIVIEMNPRVSRSSALASKATGFPIAKVAAKLAVGYTLDELMNDITGGRTPASFEPSIDYVVTKIPRFNFEKFAGANDRLTTQMKSVGEVMAIGRTQQESLQKALRGLEVGATGFDPKVSLDDPEALTKIRRELKDAGADRIWYIADAFRAGLSVDGVFNLTNIDRWFLVQIEELVRLEEKVAEVGITGLNADFLRQLKRKGFADARLAKLAGVREAEIRKLRDQYDLHPVYKRVDTCAAEFATDTAYMYSTYEEECEANPSTDREKIMVLGGGPNRIGQGIEFDYCCVHASLALREDGYETIMVNCNPETVSTDYDTSDRLYFEPVTLEDVLEIVRIEKPKGVIVQYGGQTPLKLARALEAAGVPVIGTSPDAIDRAEDRERFQHAVERLKLKQPANATVTAIEMAVEKAKEIGYPLVVRPSYVLGGRAMEIVYDEADLRRYFQTAVSVSNDAPVLLDHFLDDAVEVDVDAICDGEMVLIGGIMEHIEQAGVHSGDSACSLPAYTLSQEIQDVMRQQVQKLAFELQVRGLMNVQFAVKNNEVYLIEVNPRAARTVPFVSKATGVPLAKVAARVMAGKSLAEQGVTKEVIPPYYSVKEVVLPFNKFPGVDPLLGPEMRSTGEVMGVGRTFAEAFAKAQLGSNSTMKKHGRALLSVREGDKERVVDLAAKLLKQGFELDATHGTAIVLGEAGINPRLVNKVHEGRPHIQDRIKNGEYTYIINTTSGRRAIEDSRVIRRSALQYKVHYDTTLNGGFATAMALNADATEKVISVQEMHAQIK

来源 Source

来源生物 organism	Escherichia coli
NCBI Class编号 ncbi_taxonomy_id	562
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	PROTEIN (CARBAMOYL-PHOSPHATE SYNTHASE)
Molecular weight formula_weight	41480.9 kDa
EC 编号 ec_number	6.3.5.5
Source method src_method	man
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B,D,F,H

MIKSALLVLEDGTQFHGRAIGATGSAVGEVVFNTSMTGYQEILTDPSYSRQIVTLTYPHIGNVGTNDADEESSQVHAQGLVIRDLPLIASNFRNTEDLSSYLKRHNIVAIADIDTRKLTRLLREKGAQNGCIIAGDNPDAALALEKARAFPGLNGMDLAKEVTTAEAYSWTQGSWTLTGGLPQAKKEDELPFHVVAYDFGAKRNILRMLVDRGCRLTIVPAQTSAEDVLKMNPDGIFLSNGPGDPAPCDYAITAIQKFLETDIPVFGICLGHQLLALASGAKTVKMKFGHHGGNHPVKDVEKNVVMITAQNHGFAVDEATLPANLRVTHKSLFDGTLQGIHRTDKPAFSFQGHPEASPGPHDAAPLFDHFIELIEQYRKTAK

来源 Source

来源生物 organism	Escherichia coli
NCBI Class编号 ncbi_taxonomy_id	562
宿主生物 host_organism	Escherichia coli

Entity 3 Entity 3 non-polymer

Description description	MANGANESE (II) ION
Molecular weight formula_weight	54.9 kDa
Source method src_method	syn
Copy count entity_count	12

Entity 4 Entity 4 non-polymer

Description description	POTASSIUM ION
Molecular weight formula_weight	39.1 kDa
Source method src_method	syn
Copy count entity_count	28

Entity 5 Entity 5 non-polymer

Description description	CHLORIDE ION
Molecular weight formula_weight	35.5 kDa
Source method src_method	syn
Copy count entity_count	12

Entity 6 Entity 6 non-polymer

Description description	PHOSPHATE ION
Molecular weight formula_weight	95.0 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 7 Entity 7 non-polymer

Description description	ADENOSINE-5'-DIPHOSPHATE
Molecular weight formula_weight	427.2 kDa
Source method src_method	syn
Copy count entity_count	8

Entity 8 Entity 8 non-polymer

Description description	L-ornithine
Molecular weight formula_weight	132.2 kDa
Source method src_method	syn
Copy count entity_count	8

Entity 9 Entity 9 non-polymer

Description description	INOSINIC ACID
Molecular weight formula_weight	348.2 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 10 Entity 10 non-polymer

Description description	TETRAETHYLAMMONIUM ION
Molecular weight formula_weight	130.3 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 11 Entity 11 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	4037

▼

7. Fold Classification (SCOP + CATH) 72 domains

SCOP 2.08 (32 domains)

Domain ID domain_id	d1ce8a1
Class class	a — All alpha proteins
Fold Fold fold	a.92 — Carbamoyl phosphate synthetase, large subunit connection domain
Superfamily Superfamily superfamily	a.92.1 — Carbamoyl phosphate synthetase, large subunit connection domain
Family Family family	a.92.1.1 — Carbamoyl phosphate synthetase, large subunit connection domain

Domain ID domain_id	d1ce8a2
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.24 — Methylglyoxal synthase-like
Superfamily Superfamily superfamily	c.24.1 — Methylglyoxal synthase-like
Family Family family	c.24.1.1 — Carbamoyl phosphate synthetase, large subunit allosteric, C-terminal domain

Domain ID domain_id	d1ce8a3
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.30 — PreATP-grasp domain
Superfamily Superfamily superfamily	c.30.1 — PreATP-grasp domain
Family Family family	c.30.1.1 — BC N-terminal domain-like

Domain ID domain_id	d1ce8a4
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.30 — PreATP-grasp domain
Superfamily Superfamily superfamily	c.30.1 — PreATP-grasp domain
Family Family family	c.30.1.1 — BC N-terminal domain-like

Domain ID domain_id	d1ce8a5
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.142 — ATP-grasp
Superfamily Superfamily superfamily	d.142.1 — Glutathione synthetase ATP-binding domain-like
Family Family family	d.142.1.2 — BC ATP-binding domain-like

Domain ID domain_id	d1ce8a6
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.142 — ATP-grasp
Superfamily Superfamily superfamily	d.142.1 — Glutathione synthetase ATP-binding domain-like
Family Family family	d.142.1.2 — BC ATP-binding domain-like

Domain ID domain_id	d1ce8b1
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.8 — The 'swivelling' beta/beta/alpha domain
Superfamily Superfamily superfamily	c.8.3 — Carbamoyl phosphate synthetase, small subunit N-terminal domain
Family Family family	c.8.3.1 — Carbamoyl phosphate synthetase, small subunit N-terminal domain

Domain ID domain_id	d1ce8b2
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.16 — Class I glutamine amidotransferase-like
Family Family family	c.23.16.1 — Class I glutamine amidotransferases (GAT)

Domain ID domain_id	d1ce8c1
Class class	a — All alpha proteins
Fold Fold fold	a.92 — Carbamoyl phosphate synthetase, large subunit connection domain
Superfamily Superfamily superfamily	a.92.1 — Carbamoyl phosphate synthetase, large subunit connection domain
Family Family family	a.92.1.1 — Carbamoyl phosphate synthetase, large subunit connection domain

Domain ID domain_id	d1ce8c2
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.24 — Methylglyoxal synthase-like
Superfamily Superfamily superfamily	c.24.1 — Methylglyoxal synthase-like
Family Family family	c.24.1.1 — Carbamoyl phosphate synthetase, large subunit allosteric, C-terminal domain

Domain ID domain_id	d1ce8c3
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.30 — PreATP-grasp domain
Superfamily Superfamily superfamily	c.30.1 — PreATP-grasp domain
Family Family family	c.30.1.1 — BC N-terminal domain-like

Domain ID domain_id	d1ce8c4
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.30 — PreATP-grasp domain
Superfamily Superfamily superfamily	c.30.1 — PreATP-grasp domain
Family Family family	c.30.1.1 — BC N-terminal domain-like

Domain ID domain_id	d1ce8c5
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.142 — ATP-grasp
Superfamily Superfamily superfamily	d.142.1 — Glutathione synthetase ATP-binding domain-like
Family Family family	d.142.1.2 — BC ATP-binding domain-like

Domain ID domain_id	d1ce8c6
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.142 — ATP-grasp
Superfamily Superfamily superfamily	d.142.1 — Glutathione synthetase ATP-binding domain-like
Family Family family	d.142.1.2 — BC ATP-binding domain-like

Domain ID domain_id	d1ce8d1
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.8 — The 'swivelling' beta/beta/alpha domain
Superfamily Superfamily superfamily	c.8.3 — Carbamoyl phosphate synthetase, small subunit N-terminal domain
Family Family family	c.8.3.1 — Carbamoyl phosphate synthetase, small subunit N-terminal domain

Domain ID domain_id	d1ce8d2
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.16 — Class I glutamine amidotransferase-like
Family Family family	c.23.16.1 — Class I glutamine amidotransferases (GAT)

Domain ID domain_id	d1ce8e1
Class class	a — All alpha proteins
Fold Fold fold	a.92 — Carbamoyl phosphate synthetase, large subunit connection domain
Superfamily Superfamily superfamily	a.92.1 — Carbamoyl phosphate synthetase, large subunit connection domain
Family Family family	a.92.1.1 — Carbamoyl phosphate synthetase, large subunit connection domain

Domain ID domain_id	d1ce8e2
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.24 — Methylglyoxal synthase-like
Superfamily Superfamily superfamily	c.24.1 — Methylglyoxal synthase-like
Family Family family	c.24.1.1 — Carbamoyl phosphate synthetase, large subunit allosteric, C-terminal domain

Domain ID domain_id	d1ce8e3
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.30 — PreATP-grasp domain
Superfamily Superfamily superfamily	c.30.1 — PreATP-grasp domain
Family Family family	c.30.1.1 — BC N-terminal domain-like

Domain ID domain_id	d1ce8e4
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.30 — PreATP-grasp domain
Superfamily Superfamily superfamily	c.30.1 — PreATP-grasp domain
Family Family family	c.30.1.1 — BC N-terminal domain-like

Domain ID domain_id	d1ce8e5
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.142 — ATP-grasp
Superfamily Superfamily superfamily	d.142.1 — Glutathione synthetase ATP-binding domain-like
Family Family family	d.142.1.2 — BC ATP-binding domain-like

Domain ID domain_id	d1ce8e6
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.142 — ATP-grasp
Superfamily Superfamily superfamily	d.142.1 — Glutathione synthetase ATP-binding domain-like
Family Family family	d.142.1.2 — BC ATP-binding domain-like

Domain ID domain_id	d1ce8f1
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.8 — The 'swivelling' beta/beta/alpha domain
Superfamily Superfamily superfamily	c.8.3 — Carbamoyl phosphate synthetase, small subunit N-terminal domain
Family Family family	c.8.3.1 — Carbamoyl phosphate synthetase, small subunit N-terminal domain

Domain ID domain_id	d1ce8f2
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.16 — Class I glutamine amidotransferase-like
Family Family family	c.23.16.1 — Class I glutamine amidotransferases (GAT)

Domain ID domain_id	d1ce8g1
Class class	a — All alpha proteins
Fold Fold fold	a.92 — Carbamoyl phosphate synthetase, large subunit connection domain
Superfamily Superfamily superfamily	a.92.1 — Carbamoyl phosphate synthetase, large subunit connection domain
Family Family family	a.92.1.1 — Carbamoyl phosphate synthetase, large subunit connection domain

Domain ID domain_id	d1ce8g2
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.24 — Methylglyoxal synthase-like
Superfamily Superfamily superfamily	c.24.1 — Methylglyoxal synthase-like
Family Family family	c.24.1.1 — Carbamoyl phosphate synthetase, large subunit allosteric, C-terminal domain

Domain ID domain_id	d1ce8g3
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.30 — PreATP-grasp domain
Superfamily Superfamily superfamily	c.30.1 — PreATP-grasp domain
Family Family family	c.30.1.1 — BC N-terminal domain-like

Domain ID domain_id	d1ce8g4
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.30 — PreATP-grasp domain
Superfamily Superfamily superfamily	c.30.1 — PreATP-grasp domain
Family Family family	c.30.1.1 — BC N-terminal domain-like

Domain ID domain_id	d1ce8g5
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.142 — ATP-grasp
Superfamily Superfamily superfamily	d.142.1 — Glutathione synthetase ATP-binding domain-like
Family Family family	d.142.1.2 — BC ATP-binding domain-like

Domain ID domain_id	d1ce8g6
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.142 — ATP-grasp
Superfamily Superfamily superfamily	d.142.1 — Glutathione synthetase ATP-binding domain-like
Family Family family	d.142.1.2 — BC ATP-binding domain-like

Domain ID domain_id	d1ce8h1
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.8 — The 'swivelling' beta/beta/alpha domain
Superfamily Superfamily superfamily	c.8.3 — Carbamoyl phosphate synthetase, small subunit N-terminal domain
Family Family family	c.8.3.1 — Carbamoyl phosphate synthetase, small subunit N-terminal domain

Domain ID domain_id	d1ce8h2
Class class	c — Alpha and beta proteins (a/b)
Fold Fold fold	c.23 — Flavodoxin-like
Superfamily Superfamily superfamily	c.23.16 — Class I glutamine amidotransferase-like
Family Family family	c.23.16.1 — Class I glutamine amidotransferases (GAT)

CATH v4.4 (40 domains)

Domain ID domain_id	1ce8A01
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	20 —

Domain ID domain_id	1ce8A02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	470 — D-amino Acid Aminotransferase; Chain A, domain 1
Homologous superfamily homologous superfamily	20 — ATP-grasp fold, B domain

Domain ID domain_id	1ce8A03
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1490 — Dna Ligase; domain 1
Homologous superfamily homologous superfamily	20 — ATP-grasp fold, A domain

Domain ID domain_id	1ce8A04
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	1030 — Carbamoyl Phosphate Synthetase; Chain A, domain 4
Homologous superfamily homologous superfamily	10 — Carbamoyl-phosphate synthetase, large subunit oligomerisation domain

Domain ID domain_id	1ce8A05
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	20 —

Domain ID domain_id	1ce8A06
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	470 — D-amino Acid Aminotransferase; Chain A, domain 1
Homologous superfamily homologous superfamily	20 — ATP-grasp fold, B domain

Domain ID domain_id	1ce8A07
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1490 — Dna Ligase; domain 1
Homologous superfamily homologous superfamily	20 — ATP-grasp fold, A domain

Domain ID domain_id	1ce8A08
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1380 — Methylglyoxal synthase-like domain

Domain ID domain_id	1ce8B01
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	30 — Glucose Oxidase; domain 1
Homologous superfamily homologous superfamily	20 — Carbamoyl-phosphate synthase small subunit, N-terminal domain

Domain ID domain_id	1ce8B02
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	880 — Class I glutamine amidotransferase (GATase) domain

Domain ID domain_id	1ce8C01
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	20 —

Domain ID domain_id	1ce8C02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	470 — D-amino Acid Aminotransferase; Chain A, domain 1
Homologous superfamily homologous superfamily	20 — ATP-grasp fold, B domain

Domain ID domain_id	1ce8C03
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1490 — Dna Ligase; domain 1
Homologous superfamily homologous superfamily	20 — ATP-grasp fold, A domain

Domain ID domain_id	1ce8C04
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	1030 — Carbamoyl Phosphate Synthetase; Chain A, domain 4
Homologous superfamily homologous superfamily	10 — Carbamoyl-phosphate synthetase, large subunit oligomerisation domain

Domain ID domain_id	1ce8C05
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	20 —

Domain ID domain_id	1ce8C06
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	470 — D-amino Acid Aminotransferase; Chain A, domain 1
Homologous superfamily homologous superfamily	20 — ATP-grasp fold, B domain

Domain ID domain_id	1ce8C07
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1490 — Dna Ligase; domain 1
Homologous superfamily homologous superfamily	20 — ATP-grasp fold, A domain

Domain ID domain_id	1ce8C08
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1380 — Methylglyoxal synthase-like domain

Domain ID domain_id	1ce8D01
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	30 — Glucose Oxidase; domain 1
Homologous superfamily homologous superfamily	20 — Carbamoyl-phosphate synthase small subunit, N-terminal domain

Domain ID domain_id	1ce8D02
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	880 — Class I glutamine amidotransferase (GATase) domain

Domain ID domain_id	1ce8E01
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	20 —

Domain ID domain_id	1ce8E02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	470 — D-amino Acid Aminotransferase; Chain A, domain 1
Homologous superfamily homologous superfamily	20 — ATP-grasp fold, B domain

Domain ID domain_id	1ce8E03
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1490 — Dna Ligase; domain 1
Homologous superfamily homologous superfamily	20 — ATP-grasp fold, A domain

Domain ID domain_id	1ce8E04
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	1030 — Carbamoyl Phosphate Synthetase; Chain A, domain 4
Homologous superfamily homologous superfamily	10 — Carbamoyl-phosphate synthetase, large subunit oligomerisation domain

Domain ID domain_id	1ce8E05
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	20 —

Domain ID domain_id	1ce8E06
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	470 — D-amino Acid Aminotransferase; Chain A, domain 1
Homologous superfamily homologous superfamily	20 — ATP-grasp fold, B domain

Domain ID domain_id	1ce8E07
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1490 — Dna Ligase; domain 1
Homologous superfamily homologous superfamily	20 — ATP-grasp fold, A domain

Domain ID domain_id	1ce8E08
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1380 — Methylglyoxal synthase-like domain

Domain ID domain_id	1ce8F01
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	30 — Glucose Oxidase; domain 1
Homologous superfamily homologous superfamily	20 — Carbamoyl-phosphate synthase small subunit, N-terminal domain

Domain ID domain_id	1ce8F02
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	880 — Class I glutamine amidotransferase (GATase) domain

Domain ID domain_id	1ce8G01
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	20 —

Domain ID domain_id	1ce8G02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	470 — D-amino Acid Aminotransferase; Chain A, domain 1
Homologous superfamily homologous superfamily	20 — ATP-grasp fold, B domain

Domain ID domain_id	1ce8G03
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1490 — Dna Ligase; domain 1
Homologous superfamily homologous superfamily	20 — ATP-grasp fold, A domain

Domain ID domain_id	1ce8G04
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	1030 — Carbamoyl Phosphate Synthetase; Chain A, domain 4
Homologous superfamily homologous superfamily	10 — Carbamoyl-phosphate synthetase, large subunit oligomerisation domain

Domain ID domain_id	1ce8G05
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	20 —

Domain ID domain_id	1ce8G06
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	470 — D-amino Acid Aminotransferase; Chain A, domain 1
Homologous superfamily homologous superfamily	20 — ATP-grasp fold, B domain

Domain ID domain_id	1ce8G07
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	1490 — Dna Ligase; domain 1
Homologous superfamily homologous superfamily	20 — ATP-grasp fold, A domain

Domain ID domain_id	1ce8G08
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	1380 — Methylglyoxal synthase-like domain

Domain ID domain_id	1ce8H01
Class class	3 — Alpha Beta
Architecture architecture	50 — 3-Layer(bba) Sandwich
Topology topology	30 — Glucose Oxidase; domain 1
Homologous superfamily homologous superfamily	20 — Carbamoyl-phosphate synthase small subunit, N-terminal domain

Domain ID domain_id	1ce8H02
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	880 — Class I glutamine amidotransferase (GATase) domain

▶

8. Citations (1)

▶

Unit-cell length a length_a	152.100 Å
Unit-cell length b length_b	163.900 Å
Unit-cell length c length_c	331.200 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	16

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	2.100 Å
Low-resolution limit resolution_low	30.000 Å
R factor r_factor	0.1920
R_work r_work	0.1930
R_free r_free	0.2500

fit	/app/data/saxs_computation/ce/1ce8/1ce8.fit
pddf	/app/data/pr_computation/ce/1ce8/1ce8.pr.out
profile	/app/data/saxs_computation/ce/1ce8/1ce8.dat

CARBAMOYL PHOSPHATE SYNTHETASE FROM ESCHERICHIS COLI WITH COMPLEXED WITH THE ALLOSTERIC LIGAND IMP

1. Protein Identity and Related Structures Protein Identity & Related Structures

PROTEIN (CARBAMOYL-PHOSPHATE SYNTHASE)

State in the Current Structure

Other States of the Same Protein in the Database

PROTEIN (CARBAMOYL-PHOSPHATE SYNTHASE)

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (11)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 non-polymer

Entity 8 Entity 8 non-polymer

Entity 9 Entity 9 non-polymer

Entity 10 Entity 10 non-polymer

Entity 11 Entity 11 water

7. Fold Classification (SCOP + CATH) 72 domains

SCOP 2.08 (32 domains)

CATH v4.4 (40 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)