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Open data
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Basic information
Entry | Database: PDB / ID: 1d7a | ||||||
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Title | CRYSTAL STRUCTURE OF E. COLI PURE-MONONUCLEOTIDE COMPLEX. | ||||||
![]() | PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE | ||||||
![]() | LYASE / THREE-LAYER (ALPHA-BETA-ALPHA) SANDWICH N5-CAIR MUTASE (PURE) / AMINOIMIDAZOLE RIBONUCLEOTIDE (AIR) | ||||||
Function / homology | ![]() 5-(carboxyamino)imidazole ribonucleotide mutase / 5-(carboxyamino)imidazole ribonucleotide mutase activity / 'de novo' IMP biosynthetic process / identical protein binding / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Mathews, I.I. / Kappock, T.J. / Stubbe, J. / Ealick, S.E. | ||||||
![]() | ![]() Title: Crystal structure of Escherichia coli PurE, an unusual mutase in the purine biosynthetic pathway. Authors: Mathews, I.I. / Kappock, T.J. / Stubbe, J. / Ealick, S.E. #1: ![]() Title: Evidence for the Direct Transfer of the Carboxylate of N5-Carboxyaminoimidazole Ribonucleotide (N5-Cair) to Generate 4-Carboxy-5- Aminoimidazole Ribonucleotide Catalyzed by Escherichia Coli Pure, an N5-Cair Mutase Authors: Meyer, E. / Kappock, T.J. / Osuji, C. / Stubbe, J. #2: ![]() Title: Reactions Catalyzed by 5-Aminoimidazole Ribonucleotide Carboxylases from Escherichia Coli and Gallus Gallus: A Case for Divergent Catalytic Mechanisms Authors: Firestine, S.M. / Poon, S.W. / Mueller, E.J. / Stubbe, J. / Davisson, V.J. #3: ![]() Title: N5-Carboxyaminoimidazole Ribonucleotide: Evidence for a New Intermediate and Two New Enzymatic Activities in the De Novo Purine Biosynthetic Pathway of Escherichia Coli Authors: Mueller, E.J. / Meyer, E. / Rudolph, J. / Davisson, V.J. / Stubbe, J. #4: ![]() Title: Nucleotide Sequence Analysis of the Purek Operon Encoding 5'-Phosphoribosyl-5-Aminoimidazole Carboxylase of Escherichia Coli K-12 Authors: Tiedeman, A.A. / Keyhani, J. / Kamholz, J. / Daum III, H.A. / Gots, J.S. / Smith, J.M. #5: ![]() Title: Identification and Sequence Analysis of Escherichia Coli Pure and Purk Genes Encoding 5'-Phosphoribosyl-5-Amino-4-Imidazole Carboxylase for De Novo Purine Biosynthesis Authors: Watanabe, W. / Sampei, G. / Aiba, A. / Mizobuchi, K. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 237.3 KB | Display | ![]() |
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PDB format | ![]() | 202.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components
#1: Protein | Mass: 17113.875 Da / Num. of mol.: 8 / Fragment: CATALYTIC SUBUNIT / Mutation: M14(MSE), M23(MSE), M79(MSE), M110(MSE) Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: P09028, UniProt: P0AG18*PLUS, phosphoribosylaminoimidazole carboxylase #2: Chemical | ChemComp-AIR / #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.25 Å3/Da / Density % sol: 45.31 % | ||||||||||||||||||||
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Crystal grow | Temperature: 281 K / Method: vapor diffusion, hanging drop / pH: 8 Details: PEG4000, Ammonium Acetate, TRIS.HCl, 4-CARBOXY AMINOIMIDAZOLE RIBONUCLEOTIDE (CAIR), pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 281K | ||||||||||||||||||||
Crystal grow | *PLUS | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Dec 9, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.918 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→40 Å / Num. all: 37498 / Num. obs: 37498 / % possible obs: 87.7 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 1 / Redundancy: 2.7 % / Biso Wilson estimate: 14.9 Å2 / Rmerge(I) obs: 0.087 / Net I/σ(I): 7.2 |
Reflection shell | Resolution: 2.5→2.64 Å / Redundancy: 2.2 % / Rmerge(I) obs: 0.277 / Num. unique all: 5182 / % possible all: 83.6 |
Reflection | *PLUS Num. measured all: 99859 |
Reflection shell | *PLUS % possible obs: 83.6 % |
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Processing
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Refinement | Resolution: 2.5→25 Å / σ(F): 2 / σ(I): 1 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 2.5→25 Å
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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