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- PDB-2cg5: Structure of aminoadipate-semialdehyde dehydrogenase- phosphopant... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2cg5 | ||||||
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Title | Structure of aminoadipate-semialdehyde dehydrogenase- phosphopantetheinyl transferase in complex with cytosolic acyl carrier protein and coenzyme A | ||||||
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![]() | TRANSFERASE/HYDROLASE / TRANSFERASE-HYDROLASE COMPLEX / TRANSFERASE-HYDROLASE (COMPLEX) / FATTY ACID BIOSYNTHESIS / PHOSPHOPANTETHEINE TRANSFERASE / FASN / ACP / COENZYME A / TRANSFERASE / HYDROLASE / LIPID SYNTHESIS / LYASE / COMPLEX | ||||||
Function / homology | ![]() pantothenate metabolic process / fatty-acid synthase system / : / 10-formyltetrahydrofolate catabolic process / ether lipid biosynthetic process / : / holo-[acyl-carrier-protein] synthase / Vitamin B5 (pantothenate) metabolism / : / neutrophil differentiation ...pantothenate metabolic process / fatty-acid synthase system / : / 10-formyltetrahydrofolate catabolic process / ether lipid biosynthetic process / : / holo-[acyl-carrier-protein] synthase / Vitamin B5 (pantothenate) metabolism / : / neutrophil differentiation / enoyl-[acyl-carrier-protein] reductase (NADPH, Re-specific) / : / glandular epithelial cell development / lysine biosynthetic process via aminoadipic acid / : / establishment of endothelial intestinal barrier / glycogen granule / [acyl-carrier-protein] S-acetyltransferase / [acyl-carrier-protein] S-acetyltransferase activity / Fatty acyl-CoA biosynthesis / fatty acyl-[ACP] hydrolase activity / oleoyl-[acyl-carrier-protein] hydrolase / : / modulation by host of viral process / holo-[acyl-carrier-protein] synthase activity / ChREBP activates metabolic gene expression / [acyl-carrier-protein] S-malonyltransferase / [acyl-carrier-protein] S-malonyltransferase activity / 3-hydroxyacyl-[acyl-carrier-protein] dehydratase / beta-ketoacyl-[acyl-carrier-protein] synthase I / NR1H2 & NR1H3 regulate gene expression linked to lipogenesis / mammary gland development / 3-oxoacyl-[acyl-carrier-protein] reductase / 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) activity / fatty acid synthase activity / phosphopantetheine binding / monocyte differentiation / protein maturation / 3-oxoacyl-[acyl-carrier-protein] synthase activity / cellular response to interleukin-4 / Activation of gene expression by SREBF (SREBP) / fatty acid metabolic process / fatty acid biosynthetic process / osteoblast differentiation / melanosome / cadherin binding / inflammatory response / Golgi apparatus / magnesium ion binding / RNA binding / extracellular exosome / membrane / plasma membrane / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Bunkoczi, G. / Joshi, A. / Papagrigoriu, E. / Arrowsmith, C. / Edwards, A. / Sundstrom, M. / Weigelt, J. / von Delft, F. / Smith, S. / Oppermann, U. | ||||||
![]() | ![]() Title: Mechanism and Substrate Recognition of Human Holo Acp Synthase. Authors: Bunkoczi, G. / Pasta, S. / Joshi, A. / Wu, X. / Kavanagh, K.L. / Smith, S. / Oppermann, U. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 85.3 KB | Display | ![]() |
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PDB format | ![]() | 61.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 15.7 KB | Display | |
Data in CIF | ![]() | 20.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2bydSC ![]() 2c43C S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
-Protein , 2 types, 2 molecules AB
#1: Protein | Mass: 37051.910 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: Q9NRN7, L-aminoadipate-semialdehyde dehydrogenase |
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#2: Protein | Mass: 10065.395 Da / Num. of mol.: 1 / Fragment: ACP DOMAIN, RESIDUES 2119-2207 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
-Non-polymers , 5 types, 29 molecules ![](data/chem/img/COA.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/NI.gif)
![](data/chem/img/PO4.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/NI.gif)
![](data/chem/img/PO4.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | ChemComp-COA / | ||||||
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#4: Chemical | #5: Chemical | ChemComp-NI / | #6: Chemical | ChemComp-PO4 / | #7: Water | ChemComp-HOH / | |
-Details
Compound details | ENGINEERED |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.8 Å3/Da / Density % sol: 56 % |
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Crystal grow | Details: 0.4 M (NH4)H2PO4 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU IMAGE PLATE / Detector: IMAGE PLATE / Date: Feb 12, 2006 / Details: MIRRORS |
Radiation | Monochromator: OSMIC HR MULTILAYER OPTICS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.7→34.7 Å / Num. obs: 14864 / % possible obs: 99.9 % / Observed criterion σ(I): 0 / Redundancy: 10.4 % / Rmerge(I) obs: 0.09 / Net I/σ(I): 17.9 |
Reflection shell | Resolution: 2.7→2.8 Å / Redundancy: 10.6 % / Rmerge(I) obs: 0.58 / Mean I/σ(I) obs: 3.4 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2BYD Resolution: 2.7→50 Å / Cor.coef. Fo:Fc: 0.943 / Cor.coef. Fo:Fc free: 0.921 / SU B: 22.568 / SU ML: 0.229 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.481 / ESU R Free: 0.298 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 50.37 Å2
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Refinement step | Cycle: LAST / Resolution: 2.7→50 Å
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