+Open data
-Basic information
Entry | Database: PDB / ID: 2bkt | ||||||
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Title | crystal structure of renin-pf00257567 complex | ||||||
Components | RENIN | ||||||
Keywords | HYDROLASE / RENIN / ASPARTYL PROTEASE | ||||||
Function / homology | Function and homology information renin / juxtaglomerular apparatus development / mesonephros development / response to cGMP / renin-angiotensin regulation of aldosterone production / drinking behavior / regulation of MAPK cascade / cell maturation / response to immobilization stress / amyloid-beta metabolic process ...renin / juxtaglomerular apparatus development / mesonephros development / response to cGMP / renin-angiotensin regulation of aldosterone production / drinking behavior / regulation of MAPK cascade / cell maturation / response to immobilization stress / amyloid-beta metabolic process / hormone-mediated signaling pathway / angiotensin maturation / Metabolism of Angiotensinogen to Angiotensins / response to cAMP / insulin-like growth factor receptor binding / kidney development / regulation of blood pressure / cellular response to xenobiotic stimulus / male gonad development / apical part of cell / peptidase activity / aspartic-type endopeptidase activity / response to lipopolysaccharide / signaling receptor binding / proteolysis / extracellular space / extracellular region / plasma membrane Similarity search - Function | ||||||
Biological species | HOMO SAPIENS (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å | ||||||
Authors | Powell, N.A. / Clay, E.H. / Holsworth, D.D. / Edmunds, J.J. / Bryant, J.W. / Ryan, J.M. / Jalaie, M. / Zhang, E. | ||||||
Citation | Journal: Bioorg.Med.Chem.Lett. / Year: 2005 Title: Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors Authors: Powell, N.A. / Clay, E.H. / Holsworth, D.D. / Bryant, J.W. / Ryan, J.M. / Jalaie, M. / Zhang, E. / Edmunds, J.J. | ||||||
History |
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Remark 700 | SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2bkt.cif.gz | 136.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2bkt.ent.gz | 113.4 KB | Display | PDB format |
PDBx/mmJSON format | 2bkt.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2bkt_validation.pdf.gz | 1 MB | Display | wwPDB validaton report |
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Full document | 2bkt_full_validation.pdf.gz | 1.1 MB | Display | |
Data in XML | 2bkt_validation.xml.gz | 30.8 KB | Display | |
Data in CIF | 2bkt_validation.cif.gz | 41.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bk/2bkt ftp://data.pdbj.org/pub/pdb/validation_reports/bk/2bkt | HTTPS FTP |
-Related structure data
Related structure data | 2bksC 1pr7 1pr8 1uhq C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (-0.76008, -0.26579, 0.50103), Vector: |
-Components
#1: Protein | Mass: 37267.008 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) HOMO SAPIENS (human) / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P00797, renin #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 3.02 Å3/Da / Density % sol: 58.98 % |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 22-ID / Wavelength: 1 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→50 Å / Num. obs: 38613 / % possible obs: 97 % / Observed criterion σ(I): 0 / Redundancy: 2.8 % / Rmerge(I) obs: 0.05 / Net I/σ(I): 22 |
-Processing
Software | Name: CNS / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.3→50 Å / Data cutoff high absF: 10000 / Cross valid method: THROUGHOUT / σ(F): 0
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Solvent computation | Bsol: 34.3883 Å2 / ksol: 0.332333 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 2.3→50 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.3→2.38 Å / Total num. of bins used: 38 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Xplor file |
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