+Open data
-Basic information
Entry | Database: PDB / ID: 2bks | |||||||||
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Title | crystal structure of Renin-PF00074777 complex | |||||||||
Components | Renin | |||||||||
Keywords | HYDROLASE / ASPARTIC PROTEINASE / ASPARTYL PROTEASE / GLYCOPROTEIN / PLASMA / ZYMOGEN / POLYMORPHISM | |||||||||
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 / response to immobilization stress / angiotensin maturation / 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 / response to immobilization stress / angiotensin maturation / amyloid-beta metabolic process / Metabolism of Angiotensinogen to Angiotensins / cell maturation / response to cAMP / hormone-mediated signaling pathway / kidney development / insulin-like growth factor receptor binding / regulation of blood pressure / male gonad development / cellular response to xenobiotic stimulus / apical part of cell / peptidase activity / response to lipopolysaccharide / aspartic-type endopeptidase activity / 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: 2.2 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 | 2bks.cif.gz | 138.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2bks.ent.gz | 113.5 KB | Display | PDB format |
PDBx/mmJSON format | 2bks.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2bks_validation.pdf.gz | 369.8 KB | Display | wwPDB validaton report |
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Full document | 2bks_full_validation.pdf.gz | 391.7 KB | Display | |
Data in XML | 2bks_validation.xml.gz | 29.2 KB | Display | |
Data in CIF | 2bks_validation.cif.gz | 40.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bk/2bks ftp://data.pdbj.org/pub/pdb/validation_reports/bk/2bks | HTTPS FTP |
-Related structure data
Related structure data | 2bktC 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: (-0.78358, -0.35238, 0.5117), 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) / Gene: REN / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: P00797, renin #2: Chemical | ChemComp-PZ1 / ( | #3: Water | ChemComp-HOH / | Compound details | FUNCTION: HIGHLY SPECIFIC ENDOPEPTID | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.21 Å3/Da / Density % sol: 61.42 % |
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Crystal grow | pH: 6 / Details: pH 6.00 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 17-ID / Wavelength: 1 |
Detector | Type: ADSC CCD / Detector: CCD / Date: Jul 9, 2003 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→50 Å / Num. obs: 47471 / % possible obs: 98 % / Observed criterion σ(I): 0 / Redundancy: 13 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 39 |
Reflection shell | Resolution: 2.2→2.28 Å / Redundancy: 7.1 % / Rmerge(I) obs: 0.22 / Mean I/σ(I) obs: 6 / % possible all: 90 |
-Processing
Software | Name: CNS / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.2→25 Å / Data cutoff high absF: 10000 / Cross valid method: THROUGHOUT / σ(F): 0
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Solvent computation | Bsol: 34.6074 Å2 / ksol: 0.345346 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.2→25 Å
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Refine LS restraints |
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Xplor file |
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