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- PDB-9igq: Crystal structure of PPK2 class III from Erysipelotrichaceae bact... -
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Open data
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Basic information
Entry | Database: PDB / ID: 9igq | ||||||
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Title | Crystal structure of PPK2 class III from Erysipelotrichaceae bacterium in complex with AppCH2p and polyphosphate | ||||||
![]() | Polyphosphate--nucleotide phosphotransferase | ||||||
![]() | TRANSFERASE / Polyphosphate Kinase / PPK2-III / NTP / EbPPK | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Rasche, R. / Lawrence-Doerner, A.-M. / Cornelissen, N.V. / Kuemmel, D. | ||||||
Funding support | 1items
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![]() | ![]() Title: Structure-guided engineering of a polyphosphate kinase 2 class III from an Erysipelotrichaceae bacterium to produce base-modified purine nucleotides Authors: Mitton-Fry, R.M. / Rasche, R. / Lawrence-Dorner, A.M. / Eschenbach, J. / Tekath, A. / Rentmeister, A. / Kummel, D. / Cornelissen, N.V. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 1.2 MB | Display | ![]() |
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PDB format | ![]() | Display | ![]() | |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 2.7 MB | Display | ![]() |
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Full document | ![]() | 2.8 MB | Display | |
Data in XML | ![]() | 65.8 KB | Display | |
Data in CIF | ![]() | 88.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 9igrC C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments:
NCS ensembles :
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Components
-Protein , 1 types, 4 molecules ABCD
#1: Protein | Mass: 36625.246 Da / Num. of mol.: 4 / Mutation: I2A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: UBA9076 / Gene: DHS57_05705 Production host: ![]() ![]() References: UniProt: A0A3D5XRJ5 |
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-Non-polymers , 8 types, 1032 molecules 












#2: Chemical | ChemComp-ACP / #3: Chemical | #4: Chemical | ChemComp-GOL / | #5: Chemical | #6: Chemical | ChemComp-MG / #7: Chemical | #8: Chemical | Mass: 577.875 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: H9O22P7 / Feature type: SUBJECT OF INVESTIGATION #9: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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Has protein modification | N |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.32 Å3/Da / Density % sol: 46.97 % |
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Crystal grow | Temperature: 285 K / Method: vapor diffusion, sitting drop / pH: 4.6 Details: MPD 20%, sodium acetate 0.1 M, sodium chloride 0.2 M |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Sep 15, 2024 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.976 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→48.9 Å / Num. obs: 145127 / % possible obs: 98.4 % / Redundancy: 13.7 % / Biso Wilson estimate: 18.53 Å2 / CC1/2: 0.998 / CC star: 0.999 / Rpim(I) all: 0.0533 / Rrim(I) all: 0.193 / Net I/σ(I): 10.76 |
Reflection shell | Resolution: 1.7→1.8 Å / Redundancy: 12.5 % / Mean I/σ(I) obs: 1.51 / Num. unique obs: 23262 / CC1/2: 0.635 / CC star: 0.878 / Rpim(I) all: 0.593 / Rrim(I) all: 2.15 / % possible all: 99.8 |
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Processing
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Refinement | Method to determine structure: ![]() Details: Hydrogens have been added in their 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 BULK SOLVENT | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 30.49 Å2
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Refinement step | Cycle: LAST / Resolution: 1.7→48.9 Å
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Refine LS restraints |
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