+Open data
-Basic information
Entry | Database: PDB / ID: 2ml8 | ||||||
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Title | NMR structure of Saccharomyces cerevisiae Acyl Carrier Protein. | ||||||
Components | Fatty acid synthase subunit alpha | ||||||
Keywords | TRANSFERASE / ACP / Fatty acid Synthase | ||||||
Function / homology | Function and homology information fatty-acyl-CoA synthase system / fatty-acyl-CoA synthase activity / fatty acid synthase complex / holo-[acyl-carrier-protein] synthase activity / beta-ketoacyl-[acyl-carrier-protein] synthase I / 3-oxoacyl-[acyl-carrier-protein] reductase / 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity / long-chain fatty acid biosynthetic process / fatty acid synthase activity / 3-oxoacyl-[acyl-carrier-protein] synthase activity ...fatty-acyl-CoA synthase system / fatty-acyl-CoA synthase activity / fatty acid synthase complex / holo-[acyl-carrier-protein] synthase activity / beta-ketoacyl-[acyl-carrier-protein] synthase I / 3-oxoacyl-[acyl-carrier-protein] reductase / 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity / long-chain fatty acid biosynthetic process / fatty acid synthase activity / 3-oxoacyl-[acyl-carrier-protein] synthase activity / magnesium ion binding / mitochondrion / cytosol Similarity search - Function | ||||||
Biological species | Saccharomyces cerevisiae (brewer's yeast) | ||||||
Method | SOLUTION NMR / torsion angle dynamics, molecular dynamics | ||||||
Model details | lowest energy, model1 | ||||||
Authors | Wider, G. / Perez, D.R. / Leibundgut, M. | ||||||
Citation | Journal: To be published Title: NMR structure of Saccharomyces cerevisiae Acyl Carrier Protein Authors: Perez, D.R. / Wider, G. #1: Journal: Biomol.Nmr Assign. / Year: 2009 Title: 1H, 15N, 13C resonance assignment of the acyl carrier protein subunit of the Saccharomyces cerevisiae fatty acid synthase. Authors: Perez, D.R. / Wider, G. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2ml8.cif.gz | 1.1 MB | Display | PDBx/mmCIF format |
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PDB format | pdb2ml8.ent.gz | 923.5 KB | Display | PDB format |
PDBx/mmJSON format | 2ml8.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2ml8_validation.pdf.gz | 402.3 KB | Display | wwPDB validaton report |
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Full document | 2ml8_full_validation.pdf.gz | 493.1 KB | Display | |
Data in XML | 2ml8_validation.xml.gz | 65.1 KB | Display | |
Data in CIF | 2ml8_validation.cif.gz | 86.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ml/2ml8 ftp://data.pdbj.org/pub/pdb/validation_reports/ml/2ml8 | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein | Mass: 19819.492 Da / Num. of mol.: 1 / Fragment: Acyl Carrier, UNP RESIDUES 138-302 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Saccharomyces cerevisiae (brewer's yeast) Strain: ATCC 204508 / S288c / Gene: FAS2, YPL231W, P1409 / Production host: Escherichia coli (E. coli) / References: UniProt: P19097, fatty-acyl-CoA synthase system |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR Details: 1H, 13C, 15N Resonances Structure of Acyl Carrier Protein of Saccharomyces cerevisiae Fatty acid Synthase | ||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 1 mM [U-13C; U-15N] Acyl Carrier Protein-1, 52 mM KH2PO4 : K2HPO4 (0.685 : 0.315) buffer-2, 90% H2O/10% D2O Solvent system: 90% H2O/10% D2O | ||||||||||||
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Sample |
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Sample conditions | Ionic strength: 0.052 / pH: 6.5 / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 750 MHz |
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-Processing
NMR software |
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Refinement | Method: torsion angle dynamics, molecular dynamics / Software ordinal: 1 | ||||||||||||
NMR constraints | NOE constraints total: 3713 / NOE intraresidue total count: 876 / NOE long range total count: 911 / NOE medium range total count: 931 / NOE sequential total count: 995 | ||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||
NMR ensemble | Conformer selection criteria: all calculated structures submitted Conformers calculated total number: 20 / Conformers submitted total number: 20 / Maximum upper distance constraint violation: 0.28 Å / Representative conformer: 1 |