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Yorodumi- PDB-1d1f: SOLUTION STRUCTURE OF LACTAM-BRIDGED C-TERMINAL ANALOGUE-III OF N... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1d1f | ||||||
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Title | SOLUTION STRUCTURE OF LACTAM-BRIDGED C-TERMINAL ANALOGUE-III OF NEUROPEPTIDE Y | ||||||
Components | C-TERMINAL ANALOGUE OF NEUROPEPTIDE Y, A POTENT Y2 RECEPTOR AGONIST | ||||||
Keywords | NEUROPEPTIDE / LACTAM-BRIDGED / HELIX | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Yao, S. / Norton, R.S. | ||||||
Citation | Journal: J.Med.Chem. / Year: 2002 Title: Stabilization of the helical structure of Y2-selective analogues of neuropeptide Y by lactam bridges. Authors: Yao, S. / Smith-White, M.A. / Potter, E.K. / Norton, R.S. #1: Journal: To be Published Title: Helical structure and self-association in a 13-residue neuropeptide Y Y2 receptor agonist: relationship to biological activity Authors: Barnham, K.J. / Catalfamo, F. / Pallaghy, P.K. / Howlett, G.J. / Norton, R.S. #2: Journal: J.Biomol.NMR / Year: 1996 Title: Solution structure of human neuropeptide Y Authors: Monks, S.A. / Karagianis, G. / Howlett, G.J. / Norton, R.S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1d1f.cif.gz | 91.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1d1f.ent.gz | 70.6 KB | Display | PDB format |
PDBx/mmJSON format | 1d1f.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1d1f_validation.pdf.gz | 344.4 KB | Display | wwPDB validaton report |
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Full document | 1d1f_full_validation.pdf.gz | 441.1 KB | Display | |
Data in XML | 1d1f_validation.xml.gz | 6.7 KB | Display | |
Data in CIF | 1d1f_validation.cif.gz | 10.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/d1/1d1f ftp://data.pdbj.org/pub/pdb/validation_reports/d1/1d1f | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 1776.055 Da / Num. of mol.: 1 / Fragment: C-TERMINAL ANALOGUE / Mutation: L24A, I28K, T32E / Source method: obtained synthetically / Details: CHEMICALLY SYNTHESIZED |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
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NMR experiment |
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NMR details | Text: THE STRUCTURE WAS DETERMINED USING STANDARD 2D HOMONUCLEAR TECHNIQUES |
-Sample preparation
Details | Contents: 4.0 MG IN 0.6ML H2O CONTAINING 30% TFE-D3 (BY VOLUME) |
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Sample conditions | pH: 5 / Pressure: 1 atm / 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 / Software ordinal: 1 Details: THE STRUCTURE WAS CALCULATED USING A TOTAL OF 114 UPPER BOUND DISTANCE RESTRAINTS AND 9 BACKBONE DIHEDRAL ANGLE CONSTRAINTS | ||||||||||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |