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- PDB-2ow0: MMP-9 active site mutant with iodine-labeled carboxylate inhibitor -
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Open data
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Basic information
Entry | Database: PDB / ID: 2ow0 | ||||||
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Title | MMP-9 active site mutant with iodine-labeled carboxylate inhibitor | ||||||
![]() | Matrix metalloproteinase-9 (MMP-9) (92 kDa type IV collagenase) (92 kDa gelatinase) (Gelatinase B) (GELB) | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Tochowicz, A. / Bode, W. / Maskos, K. / Goettig, P. | ||||||
![]() | ![]() Title: Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity. Authors: Tochowicz, A. / Maskos, K. / Huber, R. / Oltenfreiter, R. / Dive, V. / Yiotakis, A. / Zanda, M. / Bode, W. / Goettig, P. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 86.5 KB | Display | ![]() |
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PDB format | ![]() | 64.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 2ovxC ![]() 2ovzC ![]() 2ow1C ![]() 2ow2C ![]() 1gkdS S: Starting model for refinement 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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Unit cell |
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Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 17875.818 Da / Num. of mol.: 2 / Fragment: CATALYTIC DOMAIN RESIDUES: 110-215, 391-443 / Mutation: E402Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() |
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-Non-polymers , 5 types, 236 molecules ![](data/chem/img/ZN.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/6MR.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/6MR.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-ZN / #3: Chemical | ChemComp-CA / #4: Chemical | ChemComp-CL / ![]() #5: Chemical | #6: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.77 Å3/Da / Density % sol: 55.61 % |
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Crystal grow![]() | Temperature: 293 K / pH: 8 Details: 4.0 M NaCl, 0.1 M Hepes,VAPOR DIFFUSION, SITTING DROP, temperature 293.0K, pH 8.0, pH 8.00 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() |
Detector | Type: MAR CCD 165 mm / Detector: CCD / Date: Jan 11, 2005 / Details: MIRRORS |
Radiation | Monochromator: SI 111 DOUBLE CHANNEL / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.95→99 Å / Num. obs: 29623 / % possible obs: 96.5 % / Observed criterion σ(I): 1 / Biso Wilson estimate: 14.4 Å2 / Rmerge(I) obs: 0.089 / Net I/σ(I): 21.7 |
Reflection shell | Resolution: 1.95→1.98 Å / Rmerge(I) obs: 0.26 / Mean I/σ(I) obs: 5.2 / % possible all: 92.7 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 1GKD Resolution: 2→19.97 Å / Rfactor Rfree error: 0.007 / Data cutoff high absF: 1513913.12 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 54.94 Å2 / ksol: 0.4 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 23.1 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2→19.97 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.13 Å / Rfactor Rfree error: 0.02 / Total num. of bins used: 6
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Xplor file |
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