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Open data
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Basic information
Entry | Database: PDB / ID: 1ajp | ||||||
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Title | PENICILLIN ACYLASE COMPLEXED WITH 2,5-DIHYDROXYPHENYLACETIC ACID | ||||||
![]() | (PENICILLIN AMIDOHYDROLASE![]() | ||||||
![]() | ![]() ![]() | ||||||
Function / homology | ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Done, S.H. | ||||||
![]() | ![]() Title: Ligand-induced conformational change in penicillin acylase. Authors: Done, S.H. / Brannigan, J.A. / Moody, P.C.E. / Hubbard, R.E. #2: ![]() Title: Penicillin acylase has a single-amino-acid catalytic centre. Authors: Duggleby, H.J. / Tolley, S.P. / Hill, C.P. / Dodson, E.J. / Dodson, G. / Moody, P.C. #3: Journal: Protein Eng. / Year: 1990 Title: Expression, purification and crystallization of penicillin G acylase from Escherichia coli ATCC 11105. Authors: Hunt, P.D. / Tolley, S.P. / Ward, R.J. / Hill, C.P. / Dodson, G.G. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 182 KB | Display | ![]() |
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PDB format | ![]() | 140 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1ai4C ![]() 1ai5C ![]() 1ai6C ![]() 1ai7C ![]() 1ajnC ![]() 1ajqC C: citing same article ( |
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Similar 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: 23838.824 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() ![]() ![]() |
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#2: Protein | ![]() Mass: 62428.512 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() ![]() ![]() |
#3: Chemical | ChemComp-OMD / ![]() |
#4: Chemical | ChemComp-CA / |
#5: Water | ChemComp-HOH / ![]() |
Nonpolymer details | THERE IS DISORDER IN THE LIGAND WHICH IS ONLY 50% OCCUPIED. |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.06 Å3/Da / Density % sol: 59.5 % | ||||||||||||||||||||||||||||||
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Crystal grow![]() | Method: streak seeded / pH: 7.2 Details: CRYSTALLIZED FROM 10% PEG 8000, 50MM MOPS, PH 7.2, STREAK SEEDED. SOAKED IN 10MM 2,5-DIHYDROXYPHENYLACETIC ACID, streak seeded | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 300 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Jul 1, 1995 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.31→26.81 Å / Num. obs: 33820 / % possible obs: 96.1 % / Redundancy: 2 % / Biso Wilson estimate: 19.46 Å2 / Rmerge(I) obs: 0.083 / Net I/σ(I): 7.2 |
Reflection shell | Resolution: 2.31→2.44 Å / Redundancy: 1.9 % / Rmerge(I) obs: 0.179 / Mean I/σ(I) obs: 3.7 / % possible all: 84.7 |
Reflection | *PLUS Num. measured all: 67021 |
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Processing
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Refinement | Method to determine structure![]() Details: ISOMORPHOUS TO NATIVE THERE IS DISORDER IN A 145 AND A 146, BOTH HAVING DUAL CONFORMATIONS AS A RESULT OF LIGAND BINDING.
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Displacement parameters | Biso mean: 30.45 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.31→26.81 Å
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Refine LS restraints |
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Software | *PLUS Name: REFMAC / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor all![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |