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Crystal Structure of the C47A/A241C disulfide-linked C6 Aspartate Transcarbamoylase enzyme

Method: X-RAY DIFFRACTION Dmax: 62.2 Å Quality: EXCELLENT
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Aspartate carbamoyltransferase catalytic chain

Escherichia coli

UniProt P0A786

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 homooligomer Homooligomer Protein × 6 PDB declaration: hexameric（6） Consistent with protein copy count Chain A； UniProt 2–311 Mutation：A48C; C242A PO4 PHOSPHATE ION × 12 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；10 mg/mL of C47A/A241C c6 in 100 mM tris-acetate pH 8.3, in a 1:1 ratio (v/v), with reservoir. Crystallization buffer consisted of 40% PEG 1000, 100 mM NH4H2PO4, and 100 mM HEPES, VAPOR DIFFUSION, HANGING DROP, temperature 293K Resolution 2.10 Å R-free 0.205

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 3NPM Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1ACM ARGININE 54 IN THE ACTIVE SITE OF ESCHERICHIA COLI ASPARTATE TRANSCARBAMOYLASE IS CRITICAL FOR CATALYSIS: A SITE-SPECIFIC MUTAGENESIS, NMR AND X-RAY CRYSTALLOGRAPHY STUDY Deposited 1992-07-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Not recorded PAL N-(PHOSPHONACETYL)-L-ASPARTIC ACID × 6 ZN ZINC ION × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å
1AT1 CRYSTAL STRUCTURES OF PHOSPHONOACETAMIDE LIGATED T AND PHOSPHONOACETAMIDE AND MALONATE LIGATED R STATES OF ASPARTATE CARBAMOYLTRANSFERASE AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL P*H Deposited 1989-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Not recorded MLI MALONATE ION × 6 PCT PHOSPHONOACETAMIDE × 6 ZN ZINC ION × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å
1D09 ASPARTATE TRANSCARBAMOYLASE COMPLEXED WITH N-PHOSPHONACETYL-L-ASPARTATE (PALA) Deposited 1999-09-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded PAL N-(PHOSPHONACETYL)-L-ASPARTIC ACID × 6 ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions LIQUID DIFFUSION；pH 5.9；ENZYME: 12 MG/ML; BUFFER: 50 MM MALEIC ACID, 3 MM SOLDIUM AZIDE 1 MM N- PHOSPHONACETYL-L-ASPARTATE, pH 5.9, LIQUID DIFFUSION
Resolution 2.10 Å R-free 0.234
1EKX THE ISOLATED, UNREGULATED CATALYTIC TRIMER OF ASPARTATE TRANSCARBAMOYLASE COMPLEXED WITH BISUBSTRATE ANALOG PALA (N-(PHOSPHONACETYL)-L-ASPARTATE) Deposited 2000-03-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–311（311 aa） Fragment：CATALYTIC SUBUNIT
Chain B 1–311（311 aa） Fragment：CATALYTIC SUBUNIT
Chain C 1–311（311 aa） Fragment：CATALYTIC SUBUNIT
Not recorded PAL N-(PHOSPHONACETYL)-L-ASPARTIC ACID × 3 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；Calcium Acetate, PEG 8000, tris-HCL, 2-mercaptoethanol, PALA, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.95 Å R-free 0.214
1EZZ CRYSTAL STRUCTURE OF E. COLI ASPARTATE TRANSCARBAMOYLASE P268A MUTANT IN THE T-STATE Deposited 2000-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Mutation：P268A Mutation：P268A ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；ENZYME: 24 mg/ml; 1:1 enzyme to-buffer ratio, BUFFER: 20 mm HEPES, 14% (w/v) PEG 1450, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.70 Å R-free 0.242
1F1B CRYSTAL STRUCTURE OF E. COLI ASPARTATE TRANSCARBAMOYLASE P268A MUTANT IN THE R-STATE IN THE PRESENCE OF N-PHOSPHONACETYL-L-ASPARTATE Deposited 2000-05-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Mutation：P268A Mutation：P268A PAL N-(PHOSPHONACETYL)-L-ASPARTIC ACID × 6 ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.75；293 K；ENZYME: 7.5 mg/ml in 50 uL microdialysis button. BUFFER: 20 mm maleic acid, 3 mM sodium azide, 1 mM N-phosphonacetyl-L-aspartate, pH 5.75, MICRODIALYSIS, temperature 293K
Resolution 2.30 Å R-free 0.232
1I5O CRYSTAL STRUCTURE OF MUTANT R105A OF E. COLI ASPARTATE TRANSCARBAMOYLASE Deposited 2001-02-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Mutation：R105A Mutation：R105A ZN ZINC ION × 6 PAL N-(PHOSPHONACETYL)-L-ASPARTIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.7；293 K；Tris buffer, maleic acid, pH 5.7, MICRODIALYSIS, temperature 293K
Resolution 2.80 Å R-free 0.212
1NBE ASPARTATE TRANSCARBAMOYLASE REGULATORY CHAIN MUTANT (T82A) Deposited 1998-04-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Mutation：T82A Mutation：T82A MLT D-MALATE × 12 ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.85；7.5 MG/ML PROTEIN DIALYZED AGAINST 100MM MALIC ACID AT PH 5.85,
Resolution 2.60 Å R-free 0.237
1Q95 Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R State Bound to PALA, or to Product Analogues Phosphate and Citrate Deposited 2003-08-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain B 1–310（310 aa）
Chain C 1–310（310 aa）
Chain D 1–310（310 aa）
Chain E 1–310（310 aa）
Chain F 1–310（310 aa）
Not recorded PAL N-(PHOSPHONACETYL)-L-ASPARTIC ACID × 6 ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；294 K；PEG-mmes 2000, lithium sulfate, sodium azide, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.46 Å R-free 0.270
1R0B Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R State Bound to PALA, or to Product Analogues Phosphate and Citrate Deposited 2003-09-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain B 1–310（310 aa）
Chain C 1–310（310 aa）
Chain D 1–310（310 aa）
Chain E 1–310（310 aa）
Chain F 1–310（310 aa）
Not recorded FLC CITRATE ANION × 6 PO4 PHOSPHATE ION × 6 ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.8；294 K；sodium citrate, sodium phosphate, N-ethylmorpholine, pH 5.8, MICRODIALYSIS, temperature 294K
Resolution 2.90 Å R-free 0.300
1R0C Products in the T State of Aspartate Transcarbamylase: Crystal Structure of the Phosphate and N-carbamyl-L-aspartate Ligated Enzyme Deposited 2003-09-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain G 1–310（310 aa）
Not recorded PO4 PHOSPHATE ION × 6 NCD N-CARBAMOYL-L-ASPARTATE × 6 ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；294 K；PEG 4000, Hepes-Na, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.37 Å R-free 0.274
1RAA CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY Deposited 1992-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded ZN ZINC ION × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1RAB CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY Deposited 1992-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded ZN ZINC ION × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1RAC CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY Deposited 1992-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded ZN ZINC ION × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1RAD CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY Deposited 1992-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded ZN ZINC ION × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1RAE CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY Deposited 1992-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded ZN ZINC ION × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1RAF CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY Deposited 1992-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded ZN ZINC ION × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1RAG CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY Deposited 1992-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded ZN ZINC ION × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1RAH CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY Deposited 1992-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded ZN ZINC ION × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1RAI CRYSTAL STRUCTURE OF CTP-LIGATED T STATE ASPARTATE TRANSCARBAMOYLASE AT 2.5 ANGSTROMS RESOLUTION: IMPLICATIONS FOR ATCASE MUTANTS AND THE MECHANISM OF NEGATIVE COOPERATIVITY Deposited 1992-08-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded ZN ZINC ION × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
1SKU E. coli Aspartate Transcarbamylase 240's Loop Mutant (K244N) Deposited 2004-03-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Mutation：K244N Mutation：K244N MLI MALONATE ION × 6 ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；Prior to crystallization the enzyme was dialyzed into 40 mM KH2PO4, 2.0 mM 2-mercaptoethanol, 0.2 mM EDTA, pH 7.0 for 24 hours. Single crystals of the K244N mutant were obtained by mixing a 20 mg/ml filtered solution (0.22 m) of the K244N enzyme with a solution of 17% (w/v) PEG 1450, 50 mM malonate, 0.2 mM EDTA, 1 mM sodium azide and 20 mM Bis-Tris buffer pH 7.0 in a 1:1 ratio (v/v), VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.60 Å R-free 0.231
1TTH Aspartate Transcarbamoylase Catalytic Chain Mutant Glu50Ala Complexed with N-(Phosphonacetyl-L-Aspartate) (PALA) Deposited 2004-06-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Mutation：E50A Mutation：E50A PAL N-(PHOSPHONACETYL)-L-ASPARTIC ACID × 6 ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.9；295 K；50 mM maleic-acid-N-ethyl-morpholine buffer (pH 5.84) containing 3 mM sodium azide and 1 mM PALA, pH 5.90, MICRODIALYSIS, temperature 295K
Resolution 2.80 Å R-free 0.264
1TU0 Aspartate Transcarbamoylase Catalytic Chain Mutant E50A Complex with Phosphonoacetamide Deposited 2004-06-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Mutation：E50A Mutation：E50A PCT PHOSPHONOACETAMIDE × 6 ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；295 K；The Glu50Ala mutant was crystallized in 100 mM sodium citrate, 1 mM 2-mercaptoethanol, and 15% PEG 8000 pH 7.0. Before mounting, 50 mM PAM was added and the crystal soaked, pH 6.0, MICRODIALYSIS, temperature 295K, pH 6.00
Resolution 2.55 Å R-free 0.279
1TUG Aspartate Transcarbamoylase Catalytic Chain Mutant E50A Complex with Phosphonoacetamide, Malonate, and Cytidine-5-Prime-Triphosphate (CTP) Deposited 2004-06-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Mutation：E50A Mutation：E50A MLI MALONATE ION × 6 PCT PHOSPHONOACETAMIDE × 6 ZN ZINC ION × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；295 K；100 mM sodium citrate, 1 mM 2-mercaptoethanol, 0.2 mM EDTA and 1.0 mM CTP pH 6.0 then soaked for 24 hours in 100 mM malonate, 2 mM CTP, 3 mM sodium azide, 2 mM 2-mercaptoethanol, and 15% PEG 8000 pH 7.0. Before mounting, 50 mM PAM was added and the crystal allowed to soak until data collected., MICRODIALYSIS, temperature 295K, pH 6.00
Resolution 2.10 Å R-free 0.272
1XJW The Structure of E. coli Aspartate Transcarbamoylase Q137A Mutant in The R-State Deposited 2004-09-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Mutation：Q137A Mutation：Q137A PAL N-(PHOSPHONACETYL)-L-ASPARTIC ACID × 6 ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.9；295 K；12 mg/ml Buffer 50 mM Maleic Acid, 3 mM Sodium Azide 1 mM N-Phosphonacetyl-L-Aspartate, pH 5.9, MICRODIALYSIS, temperature 295K
Resolution 2.71 Å R-free 0.223
2A0F Structure of D236A mutant E. coli Aspartate Transcarbamoylase in presence of Phosphonoacetamide at 2.90 A resolution Deposited 2005-06-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Mutation：D236A Mutation：D236A PCT PHOSPHONOACETAMIDE × 3 ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.7；298 K；maleic acid, sodium azide, phosphonoacetamide, pH 5.7, MICRODIALYSIS, temperature 298K
Resolution 2.90 Å R-free 0.279
2AIR T-state Active Site of Aspartate Transcarbamylase:Crystal Structure of the Carbamyl Phosphate and L-alanosine Ligated Enzyme Deposited 2005-07-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain G 1–310（310 aa）
Not recorded CP PHOSPHORIC ACID MONO(FORMAMIDE)ESTER × 6 AL0 3-[HYDROXY(NITROSO)AMINO]-L-ALANINE × 6 ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；294 K；PEG-4000, iso-propranol, sodium azide, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.00 Å R-free 0.273
2AT1 CRYSTAL STRUCTURES OF PHOSPHONOACETAMIDE LIGATED T AND PHOSPHONOACETAMIDE AND MALONATE LIGATED R STATES OF ASPARTATE CARBAMOYLTRANSFERASE AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL PH Deposited 1989-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Not recorded PCT PHOSPHONOACETAMIDE × 6 ZN ZINC ION × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å
2ATC CRYSTAL AND MOLECULAR STRUCTURES OF NATIVE AND CTP-LIGANDED ASPARTATE CARBAMOYLTRANSFERASE FROM ESCHERICHIA COLI Deposited 1982-03-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Not recorded ZN ZINC ION × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.00 Å
2FZC The Structure of Wild-Type E. Coli Aspartate Transcarbamoylase in Complex with Novel T State Inhibitors at 2.10 Resolution Deposited 2006-02-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Not recorded EOP {ETHANE-1,2-DIYLBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID) × 6 ZN ZINC ION × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；298 K；ATCase holoenzyme was crystallized by microdialysis, using 50 L wells. The enzyme solution, at ~18 mg/mL, was dialyzed against a solution of 40 mM citric acid, 3 mM sodium azide, 1 mM 2-mercaptoethanol, 1 mM cytidine 5 -triphosphate, 0.2 mM EDTA (pH 5.7) , VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.10 Å R-free 0.250
2FZG The Structure of Wild-Type E. Coli Aspartate Transcarbamoylase in Complex with Novel T State Inhibitors at 2.25 Resolution Deposited 2006-02-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Not recorded EOB {1,3-PHENYLENEBIS[IMINO(2-OXOETHANE-2,1-DIYL)]}BIS(PHOSPHONIC ACID) × 6 ZN ZINC ION × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.7；298 K；ATCase holoenzyme was crystallized by microdialysis, using 50 L wells. The enzyme solution, at ~18 mg/mL, was dialyzed against a solution of 40 mM citric acid, 3 mM sodium azide, 1 mM 2-mercaptoethanol, 1 mM cytidine 5 -triphosphate, 0.2 mM EDTA (pH 5.7), MICRODIALYSIS, temperature 298K
Resolution 2.25 Å R-free 0.237
2FZK The Structure of Wild-Type E. Coli Aspartate Transcarbamoylase in Complex with Novel T State Inhibitors at 2.50 Resolution Deposited 2006-02-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Not recorded EOZ 3,5-BIS[(PHOSPHONOACETYL)AMINO]BENZOIC ACID × 6 ZN ZINC ION × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.7；298 K；ATCase holoenzyme was crystallized by microdialysis, using 50 L wells. The enzyme solution, at ~18 mg/mL, was dialyzed against a solution of 40 mM citric acid, 3 mM sodium azide, 1 mM 2-mercaptoethanol, 1 mM cytidine 5 -triphosphate, 0.2 mM EDTA (pH 5.7), MICRODIALYSIS, temperature 298K
Resolution 2.50 Å R-free 0.239
2H3E Structure of wild-type E. coli Aspartate Transcarbamoylase in the presence of N-phosphonacetyl-L-isoasparagine at 2.3A resolution Deposited 2006-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Not recorded 6PR (S)-4-AMINO-4-OXO-3-(2-PHOSPHONOACETAMIDO)BUTANOIC ACID × 6 ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.7；293 K；50 mM Maleic acid, 3 mM sodium azide, 1 mM N-phosphonacetyl-L-isoasparagine, pH 5.7, MICRODIALYSIS, temperature 293K
Resolution 2.30 Å R-free 0.250
2HSE Structure of D236A E. coli Aspartate Transcarbamoylase in the presence of phosphonoacetamide and l-Aspartate at 2.60 A resolution Deposited 2006-07-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Not recorded PO4 PHOSPHATE ION × 3 PCT PHOSPHONOACETAMIDE × 6 ASP ASPARTIC ACID × 9 ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.8；293 K；50mM maleic acid, 3mM sodium azide, 10mM phosphonoacetamide, 20mM L-aspartate, pH 5.8, MICRODIALYSIS, temperature 293K
Resolution 2.60 Å R-free 0.254
2IPO E. coli Aspartate Transcarbamoylase complexed with N-phosphonacetyl-L-asparagine Deposited 2006-10-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Not recorded 1IP N~2~-(PHOSPHONOACETYL)-L-ASPARAGINE × 6 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 6 ZN ZINC ION × 6 MAE MALEIC ACID × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.7；295 K；50 mM Maleic acid, 1 mM N-phosphonacetyl-L-asparagine, 3 mM Sodium Azide, pH 5.7, MICRODIALYSIS, temperature 295K
Resolution 2.60 Å R-free 0.253
2QG9 Structure of a regulatory subunit mutant D19A of ATCase from E. coli Deposited 2007-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.7；298 K；0.1M citrate buffer, pH 5.7, MICRODIALYSIS, temperature 298.0K
Resolution 2.70 Å R-free 0.244
2QGF Structure of regulatory chain mutant H20A of asparate transcarbamoylase from E. coli Deposited 2007-06-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.7；298 K；0.1M citric acid, pH 5.7, MICRODIALYSIS, temperature 298.0K
Resolution 2.20 Å R-free 0.223
3AT1 CRYSTAL STRUCTURES OF PHOSPHONOACETAMIDE LIGATED T AND PHOSPHONOACETAMIDE AND MALONATE LIGATED R STATES OF ASPARTATE CARBAMOYLTRANSFERASE AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL PH Deposited 1989-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Not recorded PCT PHOSPHONOACETAMIDE × 6 ZN ZINC ION × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å
3CSU CATALYTIC TRIMER OF ESCHERICHIA COLI ASPARTATE TRANSCARBAMOYLASE Deposited 1999-04-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 1–310（310 aa） Fragment：CATALYTIC SUBUNIT
Chain B 1–310（310 aa） Fragment：CATALYTIC SUBUNIT
Chain C 1–310（310 aa） Fragment：CATALYTIC SUBUNIT
Not recorded CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.8；pH 7.8
Resolution 1.88 Å R-free 0.291
3D7S Crystal structure of Wild-Type E. Coli Asparate Transcarbamoylase at pH 8.5 at 2.80 A Resolution Deposited 2008-05-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；50 mM Tris 8K PEG, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.80 Å R-free 0.235
3MPU Crystal structure of the C47A/A241C disulfide-linked E. coli Aspartate Transcarbamoylase holoenzyme Deposited 2010-04-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Mutation：C47A, A241C Mutation：C47A, A241C PO4 PHOSPHATE ION × 12 ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.9；293 K；Protein at 10 mg/ml was dialyzed against solution containing 100 mM KH2PO4, 3mM NaN3, pH 5.9, MICRODIALYSIS, temperature 293K
Resolution 2.85 Å R-free 0.240
3MPU Crystal structure of the C47A/A241C disulfide-linked E. coli Aspartate Transcarbamoylase holoenzyme Deposited 2010-04-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain E 2–311（310 aa）
Mutation：C47A, A241C PO4 PHOSPHATE ION × 12 ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.9；293 K；Protein at 10 mg/ml was dialyzed against solution containing 100 mM KH2PO4, 3mM NaN3, pH 5.9, MICRODIALYSIS, temperature 293K
Resolution 2.85 Å R-free 0.240
4AT1 STRUCTURAL CONSEQUENCES OF EFFECTOR BINDING TO THE T STATE OF ASPARTATE CARBAMOYLTRANSFERASE. CRYSTAL STRUCTURES OF THE UNLIGATED AND ATP-, AND CTP-COMPLEXED ENZYMES AT 2.6-ANGSTROMS RESOLUTION Deposited 1990-04-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Not recorded ZN ZINC ION × 6 ATP ADENOSINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.60 Å
4E2F Crystal Structure of E. coli Aspartate Transcarbamoylase K164E/E239K Mutant in an intermediate state Deposited 2012-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Chain E 2–311（310 aa）
Chain G 2–311（310 aa）
Chain I 2–311（310 aa）
Chain K 2–311（310 aa）
Mutation：K164E, E239K Mutation：K164E, E239K Mutation：K164E, E239K Mutation：K164E, E239K Mutation：K164E, E239K Mutation：K164E, E239K ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.75；293 K；16% (w/v) PEG 4000, 0.04 M Na2MoO4, 0.04 M N-cyclohexyl-3-aminopropanesulfonic acid, 30 mM Tris-acetate, pH 8.75, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.80 Å R-free 0.274
4F04 A Second Allosteric site in E. coli Aspartate Transcarbamoylase: R-state ATCase with UTP bound Deposited 2012-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded PAL N-(PHOSPHONACETYL)-L-ASPARTIC ACID × 6 ZN ZINC ION × 6 UTP URIDINE 5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.95；298 K；50 mM maleic acid, 3 mM sodium azide, 1 mM PALA, adjusted to pH=5.95 with N-ethylmorpholine, MICRODIALYSIS, temperature 298K
Resolution 2.30 Å R-free 0.207
4FYV Aspartate Transcarbamoylase Complexed with dCTP Deposited 2012-07-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded PO4 PHOSPHATE ION × 3 ZN ZINC ION × 6 DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.7；298 K；40 mM sodium citrate, 1 mM 2-mercaptoethanol, 0.2 mM EDTA, 1.0 mM dCTP, pH 5.7, MICRODIALYSIS, temperature 298K
Resolution 2.10 Å R-free 0.215
4FYW E. coli Aspartate Transcarbamoylase complexed with CTP Deposited 2012-07-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded ZN ZINC ION × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.7；298 K；40 mM sodium citrate, 1 mM 2-mercaptoethanol, 0.2 mM EDTA, 1.0 mM CTP, pH 5.7, MICRODIALYSIS, temperature 298K
Resolution 2.10 Å R-free 0.229
4FYX E. coli Aspartate Transcarbamoylase complexed with dCTP, UTP, and Mg2+ Deposited 2012-07-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded ZN ZINC ION × 6 UTP URIDINE 5'-TRIPHOSPHATE × 6 DCP 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE × 6 MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.7；298 K；40 mM sodium citrate, 1 mM 2-mercaptoethanol, 0.2 mM EDTA, 1.0 mM dCTP, pH 5.7 (crystals soaked in 5 mM UTP and 5 mM Mg2+), MICRODIALYSIS, temperature 298K
Resolution 2.09 Å R-free 0.212
4FYY E. coli Aspartate Transcarbamoylase Complexed with CTP, UTP, and Mg2+ Deposited 2012-07-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Not recorded ZN ZINC ION × 6 UTP URIDINE 5'-TRIPHOSPHATE × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 MG MAGNESIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；pH 5.7；298 K；40 mM sodium citrate, 1 mM 2-mercaptoethanol, 0.2 mM EDTA, 1.0 mM CTP, pH 5.7 (crystals soaked in 5 mM UTP and 5 mM Mg2+), MICRODIALYSIS, temperature 298K
Resolution 1.94 Å R-free 0.236
5AT1 STRUCTURAL CONSEQUENCES OF EFFECTOR BINDING TO THE T STATE OF ASPARTATE CARBAMOYLTRANSFERASE. CRYSTAL STRUCTURES OF THE UNLIGATED AND ATP-, AND CTP-COMPLEXED ENZYMES AT 2.6-ANGSTROMS RESOLUTION Deposited 1990-04-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Not recorded ZN ZINC ION × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.60 Å
6AT1 STRUCTURAL CONSEQUENCES OF EFFECTOR BINDING TO THE T STATE OF ASPARTATE CARBAMOYLTRANSFERASE. CRYSTAL STRUCTURES OF THE UNLIGATED AND ATP-, AND CTP-COMPLEXED ENZYMES AT 2.6-ANGSTROMS RESOLUTION Deposited 1990-04-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Not recorded ZN ZINC ION × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.60 Å
6KJ7 E. coli ATCase catalytic subunit mutant - G166P Deposited 2019-07-21 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 2–311（310 aa）
Mutation：G166P No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2M NH4Ac, 0.1 M Tris pH 8.5, 20% PEG3350, and 10% glycerol
Resolution 2.84 Å R-free 0.260
6KJ8 E. coli ATCase holoenzyme mutant - G166P (catalytic chain) Deposited 2019-07-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Chain E 2–311（310 aa）
Not recorded ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M HEPES pH 7.0, 30% Jeffamine M-600 pH 7.0, and 10% glycerol
Resolution 3.01 Å R-free 0.247
6KJ9 E. coli ATCase catalytic subunit mutant - G128/130A Deposited 2019-07-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 2–311（310 aa）
Chain B 2–311（310 aa）
Chain E 2–311（310 aa）
Mutation：G128A, G130A Mutation：G128A, G130A Mutation：G128A, G130A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2M NH4Ac, 0.1M Tris pH 8.5, 20% PEG3350, and 10% glycerol
Resolution 2.50 Å R-free 0.228
6KJ9 E. coli ATCase catalytic subunit mutant - G128/130A Deposited 2019-07-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain C 2–311（310 aa）
Chain D 2–311（310 aa）
Chain F 2–311（310 aa）
Mutation：G128A, G130A Mutation：G128A, G130A Mutation：G128A, G130A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.2M NH4Ac, 0.1M Tris pH 8.5, 20% PEG3350, and 10% glycerol
Resolution 2.50 Å R-free 0.228
6KJA E. coli ATCase holoenzyme mutant - G128/130A (catalytic chain) Deposited 2019-07-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Chain C 2–311（310 aa）
Chain E 2–311（310 aa）
Mutation：G128A, G130A Mutation：G128A, G130A Mutation：G128A, G130A ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M HEPES pH 7.0, 30% Jeffamine M-600 pH 7.0, and 10% glycerol
Resolution 3.06 Å R-free 0.283
6KJB wild-type apo-form E. coli ATCase holoenzyme with an unusual open conformation of R167 Deposited 2019-07-22 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 2–311（310 aa）
Not recorded ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M MES pH 6.0 10% Glycerol and 10% PEG 8000
Resolution 2.06 Å R-free 0.223
7AT1 CRYSTAL STRUCTURES OF ASPARTATE CARBAMOYLTRANSFERASE LIGATED WITH PHOSPHONOACETAMIDE, MALONATE, AND CTP OR ATP AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL P*H Deposited 1989-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Not recorded PCT PHOSPHONOACETAMIDE × 6 ZN ZINC ION × 6 ATP ADENOSINE-5'-TRIPHOSPHATE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions THE CRYSTALS WERE GROWN IN A SOLUTION OF PHOSPHONACETAMIDE (PAM) AND MALONATE (MAL) AT PH 5.8. THEY WERE THEN SOAKED IN A SOLUTION CONTAINING PAM, MAL, AND ATP AT PH 7.0.
Resolution 2.80 Å
8AT1 CRYSTAL STRUCTURES OF ASPARTATE CARBAMOYLTRANSFERASE LIGATED WITH PHOSPHONOACETAMIDE, MALONATE, AND CTP OR ATP AT 2.8-ANGSTROMS RESOLUTION AND NEUTRAL P*H Deposited 1989-09-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Not recorded PCT PHOSPHONOACETAMIDE × 6 ZN ZINC ION × 6 CTP CYTIDINE-5'-TRIPHOSPHATE × 6 X-RAY DIFFRACTION
X-ray crystallization conditions THE CRYSTALS WERE GROWN IN A SOLUTION OF PHOSPHONACETAMIDE (PAM) AND MALONATE (MAL) AT PH 5.8. THEY WERE THEN SOAKED IN A SOLUTION CONTAINING PAM, MAL, AND CTP AT PH 7.0.
Resolution 2.80 Å
8ATC COMPLEX OF N-PHOSPHONACETYL-L-ASPARTATE WITH ASPARTATE CARBAMOYLTRANSFERASE. X-RAY REFINEMENT, ANALYSIS OF CONFORMATIONAL CHANGES AND CATALYTIC AND ALLOSTERIC MECHANISMS Deposited 1989-08-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Chain C 1–310（310 aa）
Not recorded PAL N-(PHOSPHONACETYL)-L-ASPARTIC ACID × 6 ZN ZINC ION × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å
9ATC ATCASE Y165F MUTANT Deposited 1998-06-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric
Chain A 1–310（310 aa）
Mutation：CHAIN A, Y165F ZN ZINC ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.3；pH 6.3
Resolution 2.40 Å R-free 0.344

59 other PDB entries and 61 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PYRB_ECOLI
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–310； UniProt 2–311

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

SAXS profile for 3npm

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3npm
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3npm
Deposition date deposition_date2010-06-28
Structure title titleCrystal Structure of the C47A/A241C disulfide-linked C6 Aspartate Transcarbamoylase enzyme
Keywords keywordsaspartate transcarbamoylase, disulfide bond, phosphate, catalysis, product release, cooperativity, allostery, TRANSFERASE; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier20.07 Å
Radius of gyration Rg (electron density) rg_electron19.07 Å
Forward intensity I(0) i020521000.00
Molecular weight molecular_weight34181.0 kDa
Excluded volume excluded_volume42690 ų
Envelope volume envelope_volume47776 ų
Hydration-shell volume shell_volume20712 ų
Envelope diameter envelope_diameter63.8 Å
Shell Rg shell_rg25.65 Å
Envelope Rg envelope_rg19.37 Å
Shape Rg shape_rg19.08 Å
Total Rg total_rg19.91 Å
Total atoms total_atoms2404
Residues n_residues307
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax62.2 Å
Rg (real space) rg_real19.99 Å
Rg uncertainty (real space) rg_real_error0.25 Å
I(0) (real space) i0_real2.0520e+07
I(0) uncertainty (real space) i0_real_error2.2710e+05
Rg (reciprocal space) rg_reciprocal20.01 Å
I(0) (reciprocal space) i0_reciprocal20520000.0000
Solution quality estimate total_estimate0.9019
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary24.9 Å
Skewness Skewness skewness0.239
Kurtosis Kurtosis kurtosis-0.392
Angular range angular_range— – 0.3950 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha4430000.0000
Real-space data points n_real_points71
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.910; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.999
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd3npma1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.78 — ATC-like
Superfamily Superfamily superfamilyc.78.1 — Aspartate/ornithine carbamoyltransferase
Family Family familyc.78.1.1 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_idd3npma2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.78 — ATC-like
Superfamily Superfamily superfamilyc.78.1 — Aspartate/ornithine carbamoyltransferase
Family Family familyc.78.1.1 — Aspartate/ornithine carbamoyltransferase

CATH v4.4 (2 domains)

Domain ID domain_id3npmA01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1370 — Aspartate/ornithine carbamoyltransferase
Domain ID domain_id3npmA02
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily1370 — Aspartate/ornithine carbamoyltransferase
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8. Citations (1)

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9. Files and Curves (10)