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- PDB-1gm7: Crystal structures of penicillin acylase enzyme-substrate complex... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1gm7 | ||||||
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Title | Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism | ||||||
![]() | (PENICILLIN G ACYLASE ...) x 2 | ||||||
![]() | HYDROLASE / ANTIBIOTIC RESISTANCE | ||||||
Function / homology | ![]() penicillin amidase / penicillin amidase activity / antibiotic biosynthetic process / periplasmic space / response to antibiotic / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | McVey, C.E. / Walsh, M.A. / Dodson, G.G. / Wilson, K.S. / Brannigan, J.A. | ||||||
![]() | ![]() Title: Crystal Structures of Penicillin Acylase Enzyme- Substrate Complexes: Structural Insights Into the Catalytic Mechanism Authors: Mcvey, C.E. / Walsh, M.A. / Dodson, G.G. / Wilson, K.S. / Brannigan, J.A. #1: Journal: Protein Eng. / Year: 1990 Title: Expression, Purification and Crystallisation 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. #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.E. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 190.8 KB | Display | ![]() |
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PDB format | ![]() | 156 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 765.6 KB | Display | ![]() |
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Full document | ![]() | 779.4 KB | Display | |
Data in XML | ![]() | 40.6 KB | Display | |
Data in CIF | ![]() | 63.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-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
-PENICILLIN G ACYLASE ... , 2 types, 2 molecules AB
#1: Protein | Mass: 23854.824 Da / Num. of mol.: 1 / Fragment: RESIDUES 27-235 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Protein | Mass: 62386.473 Da / Num. of mol.: 1 / Fragment: RESIDUES 290-846 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
-Non-polymers , 4 types, 952 molecules ![](data/chem/img/EDO.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/PNN.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/PNN.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | ChemComp-EDO / #4: Chemical | ChemComp-CA / | #5: Chemical | ChemComp-PNN / | #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.43 Å3/Da / Density % sol: 42.7 % |
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Crystal grow | pH: 7.5 / Details: pH 7.50 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MAR scanner 300 mm plate / Detector: IMAGE PLATE |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.89 Å / Relative weight: 1 |
Reflection | Resolution: 1.45→30 Å / Num. obs: 144035 / % possible obs: 99.6 % / Redundancy: 3.4 % / Biso Wilson estimate: 13.4 Å2 / Rmerge(I) obs: 0.061 / Net I/σ(I): 18.7 |
Reflection shell | Resolution: 1.45→1.47 Å / Rmerge(I) obs: 0.339 / Mean I/σ(I) obs: 3.3 / % possible all: 99.9 |
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Processing
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Refinement | Method to determine structure: OTHER / Resolution: 1.45→30 Å / SU B: 0.96 / SU ML: 0.036 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.055 / ESU R Free: 0.058
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Displacement parameters | Biso mean: 14.8 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.45→30 Å
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Refine LS restraints |
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