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- PDB-1j5i: Solution Structure of a Novel Chromoprotein Derived from Apo-Neoc... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1j5i | ||||||
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Title | Solution Structure of a Novel Chromoprotein Derived from Apo-Neocarzinostatin and a Synthetic Chromophore | ||||||
![]() | PROTEIN (Apo-Neocarzinostatin) | ||||||
![]() | ANTIBIOTIC / Beta sandwich / IgG fold / Chromophore / ligand | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / Simulated annealing with torsion angle dynamics | ||||||
![]() | Urbaniak, M.D. / Muskett, F.W. / Finucane, M.D. / Caddick, S. / Woolfson, D.N. | ||||||
![]() | ![]() Title: Solution Structure of a Novel Chromoprotein Derived from Apo-Neocarzinostatin and a Synthetic Chromophore Authors: Urbaniak, M.D. / Muskett, F.W. / Finucane, M.D. / Caddick, S. / Woolfson, D.N. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 1.3 MB | Display | ![]() |
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PDB format | ![]() | 1.1 MB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 448.6 KB | Display | ![]() |
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Full document | ![]() | 902.2 KB | Display | |
Data in XML | ![]() | 187.1 KB | Display | |
Data in CIF | ![]() | 213.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1j5hC C: citing same article ( |
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Similar structure data | |
Other databases |
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein | Mass: 12227.273 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Plasmid: pCANTABB5 / Production host: ![]() ![]() |
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#2: Chemical | ChemComp-NCZ / |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||
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NMR experiment |
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Sample preparation
Details | Contents: 1.0 mM u-15N 1, 1.0 mM 2, 25 mM phosphate pH 5.0, 0.1 mM TSP, 0.005% sodium azide w/v Solvent system: 80% H2O 10% D2O 10% d4-MeOH |
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Sample conditions | Ionic strength: 25 mM sodium phosphate / pH: 5.0 / Pressure: ambient / Temperature: 308 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer |
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Processing
NMR software |
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Refinement | Method: Simulated annealing with torsion angle dynamics / Software ordinal: 1 Details: RESTRAINTS FOR STRUCTURE CALCULATION: INTERMOLECULAR NOES 20, INTRARESIDUE NOES 173, SEQUENTIAL NOES (I, I + 1) 227, MEDIUM-RANGE NOES (I, I+2 - I+4) 115, LONG-RANGE NOES (I, I>5) 295, PSI ...Details: RESTRAINTS FOR STRUCTURE CALCULATION: INTERMOLECULAR NOES 20, INTRARESIDUE NOES 173, SEQUENTIAL NOES (I, I + 1) 227, MEDIUM-RANGE NOES (I, I+2 - I+4) 115, LONG-RANGE NOES (I, I>5) 295, PSI ANGLE RESTRAINTS 39, HYDROGEN BONDS 74, DISULPHIDE BONDS 12. | ||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with favorable non-bond energy Conformers calculated total number: 100 / Conformers submitted total number: 44 |