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Open data
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Basic information
Entry | Database: PDB / ID: 1af0 | ||||||
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Title | SERRATIA PROTEASE IN COMPLEX WITH INHIBITOR | ||||||
![]() | SERRATIA PROTEASE | ||||||
![]() | HYDROLASE/HYDROLASE INHIBITOR / METALLOPROTEASE / SERRALYSIN / HYDROLASE-HYDROLASE INHIBITOR complex | ||||||
Function / homology | ![]() serralysin / symbiont-mediated killing of host cell / collagen catabolic process / extracellular matrix organization / extracellular matrix / metalloendopeptidase activity / toxin activity / calcium ion binding / proteolysis / extracellular space ...serralysin / symbiont-mediated killing of host cell / collagen catabolic process / extracellular matrix organization / extracellular matrix / metalloendopeptidase activity / toxin activity / calcium ion binding / proteolysis / extracellular space / zinc ion binding / extracellular region Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() | ||||||
![]() | Baumann, U. | ||||||
![]() | ![]() Title: Crystal Structure of the 50 kDa Metallo Protease from S. Marcescens in Complex with the Synthetic Inhibitor Cbz-Leu-Ala-Nhoh Authors: Baumann, U. #1: ![]() Title: Crystal Structure of a Complex between Serratia Marcescens Metallo-Protease and an Inhibitor from Erwinia Chrysanthemi Authors: Baumann, U. / Bauer, M. / Letoffe, S. / Delepelaire, P. / Wandersman, C. #2: ![]() Title: Crystal Structure of the 50 kDa Metallo Protease from Serratia Marcescens Authors: Baumann, U. #3: ![]() Title: Three-Dimensional Structure of the Alkaline Protease of Pseudomonas Aeruginosa: A Two-Domain Protein with a Calcium Binding Parallel Beta Roll Motif Authors: Baumann, U. / Wu, S. / Flaherty, K.M. / Mckay, D.B. #4: Journal: Biochemistry / Year: 1997 Title: Kinetic characterization of the serralysins: a divergent catalytic mechanism pertaining to astacin-type metalloproteases. Authors: Mock, W.L. / Yao, J. | ||||||
History |
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Remark 650 | HELIX DETERMINATION METHOD: TAKEN FROM PDB ENTRY 1SAT | ||||||
Remark 700 | SHEET DETERMINATION METHOD: TAKEN FROM PDB ENTRY 1SAT |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 157.8 KB | Display | ![]() |
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PDB format | ![]() | 117 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 428.8 KB | Display | ![]() |
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Full document | ![]() | 430.4 KB | Display | |
Data in XML | ![]() | 10.3 KB | Display | |
Data in CIF | ![]() | 16.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1satS S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 50413.156 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: PURCHASED FROM SIGMA / Source: (natural) ![]() | ||||||
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#2: Chemical | ChemComp-ZN / | ||||||
#3: Chemical | ChemComp-CA / #4: Chemical | ChemComp-0Z9 / | #5: Water | ChemComp-HOH / | Nonpolymer details | THERE IS A DISORDERED N-CARBO-BENZYLOXY GROUP IN THIS STRUCTURE THAT IS ATTACHED TO LEU B 674. NO ...THERE IS A DISORDERED | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.53 Å3/Da / Density % sol: 62 % |
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Crystal grow | pH: 6.5 / Details: 0.2 M AMMONIUM SULFATE, 20%PEG 4K, PH 6.5 |
-Data collection
Diffraction | Mean temperature: 290 K |
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Diffraction source | Source: ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Oct 1, 1995 / Details: MIRRORS |
Radiation | Monochromator: NI FILTER / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→25 Å / Num. obs: 61944 / % possible obs: 93.7 % / Observed criterion σ(I): 0 / Redundancy: 3.5 % / Rmerge(I) obs: 0.058 / Rsym value: 0.058 / Net I/σ(I): 15.6 |
Reflection shell | Resolution: 1.8→1.85 Å / Redundancy: 2.4 % / Rmerge(I) obs: 0.251 / Mean I/σ(I) obs: 3.4 / Rsym value: 0.251 / % possible all: 81.7 |
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Processing
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Refinement | Method to determine structure: DIFFERENCE FOURIER Starting model: PDB ENTRY 1SAT Resolution: 1.8→30 Å / Num. parameters: 15163 / Num. restraintsaints: 14700 / Cross valid method: FREE R / σ(F): 0 / Stereochemistry target values: ENGH AND HUBER Details: ZN++ AND CA++ IONS REFINED ANISOTROPICALLY. THE N-CARBOBENZYLOXY GROUP OF THE INHIBITOR IS INVISIBLE.
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Solvent computation | Solvent model: MOEWS & KRETSINGER | |||||||||||||||||||||||||||||||||
Refine analyze | Occupancy sum non hydrogen: 3780 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.8→30 Å
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Refine LS restraints |
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