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- PDB-1h0i: Complex of a chitinase with the natural product cyclopentapeptide... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1h0i | ||||||||||||
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Title | Complex of a chitinase with the natural product cyclopentapeptide argifin from Gliocladium | ||||||||||||
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![]() | HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-INHIBITOR COMPLEX / HYDROLASE / CHITIN DEGRADATION / ARGIFIN / INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR COMPLEX | ||||||||||||
Function / homology | ![]() chitinase / chitinase activity / chitin catabolic process / chitin binding / polysaccharide catabolic process / carbohydrate binding / extracellular region Similarity search - Function | ||||||||||||
Biological species | ![]() ![]() | ||||||||||||
Method | ![]() ![]() ![]() | ||||||||||||
![]() | Houston, D.R. / Shiomi, K. / Arai, N. / Omura, S. / Peter, M.G. / Turberg, A. / Synstad, B. / Eijsink, V.G.H. / Aalten, D.M.F. | ||||||||||||
![]() | ![]() Title: High Resolution Inhibited Complexes of a Chitinase with Natural Product Cyclopentapeptides - Peptide Mimicry of a Carbohydrate Substrate Authors: Houston, D.R. / Shiomi, K. / Arai, N. / Omura, S. / Peter, M.G. / Turberg, A. / Synstad, B. / Eijsink, V.G.H. / Van Aalten, D.M.F. | ||||||||||||
History |
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Remark 700 | SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 10-STRANDED BARREL THIS IS REPRESENTED BY A 11-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. THE SHEETS PRESENTED AS "BA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 9-STRANDED BARREL THIS IS REPRESENTED BY A 10-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 232.7 KB | Display | ![]() |
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PDB format | ![]() | 186.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 487 KB | Display | ![]() |
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Full document | ![]() | 503.7 KB | Display | |
Data in XML | ![]() | 49.2 KB | Display | |
Data in CIF | ![]() | 73.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1h0gC ![]() 1e15S C: citing same article ( 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 55548.039 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() #2: Protein/peptide | #3: Chemical | ChemComp-GOL / #4: Chemical | ChemComp-SO4 / #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.4 Å3/Da / Density % sol: 47 % | ||||||||||||||||||||||||||||||
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Crystal grow | pH: 7 Details: 20% GLYCEROL, 0.1M HEPES PH 7 1.4M AMMONIUM SULPHATE | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 5.6 / Method: vapor diffusion, hanging dropDetails: van Aalten, D.M.F., (2000) Proc. Natl. Acad. Sci. U.S.A., 97, 5842. | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 113 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC / Detector: CCD / Date: Apr 15, 2001 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.953736 Å / Relative weight: 1 |
Reflection | Resolution: 2→35 Å / Num. obs: 72253 / % possible obs: 96.9 % / Redundancy: 3.2 % / Biso Wilson estimate: 16.4 Å2 / Rmerge(I) obs: 0.094 / Net I/σ(I): 6.3 |
Reflection shell | Resolution: 2→2.07 Å / Redundancy: 2.7 % / Rmerge(I) obs: 0.341 / Mean I/σ(I) obs: 3.1 / % possible all: 88 |
Reflection | *PLUS Lowest resolution: 35 Å / Num. measured all: 234279 |
Reflection shell | *PLUS % possible obs: 88 % / Num. unique obs: 6453 / Num. measured obs: 17389 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 53.94 Å2 / ksol: 0.34 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 31.3 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2→34.71 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.07 Å / Rfactor Rfree error: 0.045 / Total num. of bins used: 10
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Xplor file |
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Refinement | *PLUS Highest resolution: 2 Å / Lowest resolution: 35 Å / Rfactor Rfree: 0.231 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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