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Open data
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Basic information
Entry | Database: PDB / ID: 1md9 | ||||||
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Title | CRYSTAL STRUCTURE OF DhbE IN COMPLEX WITH DHB AND AMP | ||||||
![]() | 2,3-dihydroxybenzoate-AMP ligase | ||||||
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Function / homology | ![]() 2,3-dihydroxybenzoate-[aryl-carrier protein] ligase / 2,3-dihydroxybenzoate--[aryl-carrier protein] ligase / siderophore biosynthetic process / ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | May, J.J. / Kessler, N. / Marahiel, M.A. / Stubbs, M.T. | ||||||
![]() | ![]() Title: Crystal structure of DhbE, an archetype for aryl acid activating domains of modular nonribosomal peptide synthetases. Authors: May, J.J. / Kessler, N. / Marahiel, M.A. / Stubbs, M.T. | ||||||
History |
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Remark 999 | SEQUENCE Author states the sequence has recently been deposited at NCBI with the acquisition number ...SEQUENCE Author states the sequence has recently been deposited at NCBI with the acquisition number bankit484943. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 111.5 KB | Display | ![]() |
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PDB format | ![]() | 91.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components
#1: Protein | Mass: 60363.301 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() References: UniProt: P40871, ![]() |
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#2: Chemical | ChemComp-AMP / ![]() |
#3: Chemical | ChemComp-DBH / ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.46 Å3/Da / Density % sol: 49.92 % | |||||||||||||||||||||||||||||||||||
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Crystal grow![]() | *PLUS Temperature: 18 ℃ / pH: 8.6 / Method: vapor diffusion, sitting drop | |||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Detector | Date: Mar 23, 2001 |
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Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 2.8→100 Å / Num. obs: 13234 / Observed criterion σ(I): 0 |
Reflection | *PLUS Highest resolution: 2.8 Å / Num. obs: 14081 / % possible obs: 95 % / Num. measured all: 38167 / Rmerge(I) obs: 0.039 |
Reflection shell | *PLUS % possible obs: 90.9 % / Rmerge(I) obs: 0.102 / Mean I/σ(I) obs: 12.3 |
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Processing
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Refinement | Method to determine structure![]() ![]()
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Refinement step | Cycle: LAST / Resolution: 2.8→100 Å
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Refinement | *PLUS Highest resolution: 2.8 Å / Rfactor Rfree![]() ![]() | ||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||
Refine LS restraints | *PLUS
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