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Yorodumi- PDB-8f7l: Human NAMPT in complex with substrate NAM and small molecule acti... -
+Open data
-Basic information
Entry | Database: PDB / ID: 8f7l | ||||||
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Title | Human NAMPT in complex with substrate NAM and small molecule activator ZN-29-S | ||||||
Components | Nicotinamide phosphoribosyltransferase | ||||||
Keywords | TRANSFERASE / NAD biosynthesis / enzyme activator | ||||||
Function / homology | Function and homology information nicotinamide phosphoribosyltransferase / nicotinamide phosphoribosyltransferase activity / NAD biosynthesis via nicotinamide riboside salvage pathway / Nicotinamide salvaging / NAD biosynthetic process / positive regulation of nitric-oxide synthase biosynthetic process / NPAS4 regulates expression of target genes / BMAL1:CLOCK,NPAS2 activates circadian gene expression / cytokine activity / circadian regulation of gene expression ...nicotinamide phosphoribosyltransferase / nicotinamide phosphoribosyltransferase activity / NAD biosynthesis via nicotinamide riboside salvage pathway / Nicotinamide salvaging / NAD biosynthetic process / positive regulation of nitric-oxide synthase biosynthetic process / NPAS4 regulates expression of target genes / BMAL1:CLOCK,NPAS2 activates circadian gene expression / cytokine activity / circadian regulation of gene expression / cell junction / cell-cell signaling / nuclear speck / positive regulation of cell population proliferation / signal transduction / positive regulation of transcription by RNA polymerase II / extracellular exosome / identical protein binding / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 Å | ||||||
Authors | Ratia, K. / Xiong, R. / Shen, Z. / Thatcher, G.R. | ||||||
Funding support | United States, 1items
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Citation | Journal: To Be Published Title: Human NAMPT in complex with substrate NAM and small molecule activator ZN-29-S Authors: Ratia, K. / Xiong, R. / Shen, Z. / Thatcher, G.R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8f7l.cif.gz | 203.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8f7l.ent.gz | 159.5 KB | Display | PDB format |
PDBx/mmJSON format | 8f7l.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 8f7l_validation.pdf.gz | 1.2 MB | Display | wwPDB validaton report |
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Full document | 8f7l_full_validation.pdf.gz | 1.2 MB | Display | |
Data in XML | 8f7l_validation.xml.gz | 37.8 KB | Display | |
Data in CIF | 8f7l_validation.cif.gz | 52.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/f7/8f7l ftp://data.pdbj.org/pub/pdb/validation_reports/f7/8f7l | HTTPS FTP |
-Related structure data
Similar structure data | Similarity search - Function & homologyF&H Search |
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-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 56666.078 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: NAMPT, PBEF, PBEF1 / Production host: Escherichia coli (E. coli) References: UniProt: P43490, nicotinamide phosphoribosyltransferase |
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-Non-polymers , 5 types, 254 molecules
#2: Chemical | #3: Chemical | #4: Chemical | #5: Chemical | ChemComp-CL / | #6: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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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: 2.39 Å3/Da / Density % sol: 48.44 % |
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Crystal grow | Temperature: 290 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 0.1 M Tris-HCl, pH 8.5, 0.2M NaCl, 20% glycerol and 13-18% PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-F / Wavelength: 0.97872 Å |
Detector | Type: RAYONIX MX-300 / Detector: CCD / Date: Dec 1, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97872 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→65.58 Å / Num. obs: 53951 / % possible obs: 99.9 % / Redundancy: 3.7 % / CC1/2: 0.989 / Rmerge(I) obs: 0.113 / Rpim(I) all: 0.068 / Rrim(I) all: 0.132 / Χ2: 0.96 / Net I/σ(I): 6.8 / Num. measured all: 200876 |
Reflection shell | Resolution: 2.2→2.27 Å / % possible obs: 98.7 % / Redundancy: 3.1 % / Rmerge(I) obs: 0.396 / Num. measured all: 14322 / Num. unique obs: 4609 / CC1/2: 0.867 / Rpim(I) all: 0.263 / Rrim(I) all: 0.478 / Χ2: 1.01 / Net I/σ(I) obs: 2.7 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.2→65.58 Å / SU ML: 0.26 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 27.5 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.2→65.58 Å
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Refine LS restraints |
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LS refinement shell |
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