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- PDB-2ghf: Solution structure of the complete zinc-finger region of human zi... -

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Basic information

Entry
Database: PDB / ID: 2ghf
TitleSolution structure of the complete zinc-finger region of human zinc-fingers and homeoboxes 1 (ZHX1)
ComponentsZinc fingers and homeoboxes protein 1
KeywordsTRANSCRIPTION / METAL BINDING PROTEIN / C2H2 zinc fingers / 4-stranded parallel/anti-parallel beta-sheet / Structural Genomics / Structural Proteomics in Europe / SPINE
Function / homology
Function and homology information


cell differentiation / DNA-binding transcription factor activity, RNA polymerase II-specific / DNA-binding transcription factor activity / protein heterodimerization activity / negative regulation of DNA-templated transcription / chromatin / regulation of transcription by RNA polymerase II / negative regulation of transcription by RNA polymerase II / DNA binding / nucleoplasm ...cell differentiation / DNA-binding transcription factor activity, RNA polymerase II-specific / DNA-binding transcription factor activity / protein heterodimerization activity / negative regulation of DNA-templated transcription / chromatin / regulation of transcription by RNA polymerase II / negative regulation of transcription by RNA polymerase II / DNA binding / nucleoplasm / metal ion binding / nucleus
Similarity search - Function
Homez, homeobox domain / ZHX, C2H2 finger domain / Homeodomain leucine-zipper encoding, Homez / Zinc-fingers and homeoboxes C2H2 finger domain / Classic Zinc Finger / Homeodomain / 'Homeobox' domain profile. / Homeodomain / Homeobox domain / Double Stranded RNA Binding Domain ...Homez, homeobox domain / ZHX, C2H2 finger domain / Homeodomain leucine-zipper encoding, Homez / Zinc-fingers and homeoboxes C2H2 finger domain / Classic Zinc Finger / Homeodomain / 'Homeobox' domain profile. / Homeodomain / Homeobox domain / Double Stranded RNA Binding Domain / zinc finger / Zinc finger C2H2 type domain profile. / Zinc finger C2H2 superfamily / Zinc finger C2H2-type / Homeobox-like domain superfamily / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Zinc fingers and homeoboxes protein 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodSOLUTION NMR / Sparky ASSIGNMENT - CYANA structure calculations; run1: use 70% most intense peaks for initial fold, run2: refine initial fold using all peaks - water refinement with CNS
AuthorsWienk, H. / Structural Proteomics in Europe (SPINE)
CitationJournal: To be Published
Title: Solution structure of the zinc-finger region of human zinc-fingers and homeoboxes 1 (ZHX1)
Authors: Wienk, H. / Lammers, I. / Wu, J. / Hotze, A. / Wechselberger, R. / Kaptein, R. / Folkers, G.
History
DepositionMar 27, 2006Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 11, 2006Provider: repository / Type: Initial release
Revision 1.1May 1, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 9, 2022Group: Data collection / Database references / Derived calculations
Category: database_2 / pdbx_nmr_software ...database_2 / pdbx_nmr_software / pdbx_nmr_spectrometer / pdbx_struct_assembly / pdbx_struct_oper_list / struct_ref_seq_dif / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_nmr_software.name / _pdbx_nmr_spectrometer.model / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Zinc fingers and homeoboxes protein 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)12,2643
Polymers12,1341
Non-polymers1312
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 100structures with acceptable covalent geometry,structures with the lowest energy,target function
RepresentativeModel #1lowest energy

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Components

#1: Protein Zinc fingers and homeoboxes protein 1 / ZHX1


Mass: 12133.544 Da / Num. of mol.: 1 / Fragment: zinc-finger region
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: ZHX1 / Plasmid: pDEST-14 / Production host: Escherichia coli (E. coli) / Strain (production host): Rosetta (Novagen) / References: UniProt: Q9UKY1
#2: Chemical ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Zn

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1112D NOESY
1213D 15N-separated NOESY

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Sample preparation

DetailsContents: 0.3 mM ZHX1-ZNF; 50 mM NaPO4; 150 mM NaCl; 40 uM ZnCl2, 90% H2O, 10% D2O
Solvent system: 90% H2O/10% D2O
Sample conditionspH: 8.0 / Pressure: ambient / Temperature: 293 K

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NMR measurement

RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelengthRelative weight: 1
NMR spectrometerType: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 900 MHz

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Processing

NMR software
NameVersionDeveloperClassification
XwinNMR3.5BRUKERcollection
XwinNMR3.5BRUKERprocessing
Sparky3Goddard and Knellerdata analysis
CYANA2.1Guntertstructure solution
CNS1.1Brungerrefinement
RefinementMethod: Sparky ASSIGNMENT - CYANA structure calculations; run1: use 70% most intense peaks for initial fold, run2: refine initial fold using all peaks - water refinement with CNS
Software ordinal: 1
Details: Structures are based on 2034 distance restraints (including for each of the two zinc-fingers 4 C2H2-to-Zinc restraints and 6 C2H2 restraints to arrange their Zn-coordinating atoms in a ...Details: Structures are based on 2034 distance restraints (including for each of the two zinc-fingers 4 C2H2-to-Zinc restraints and 6 C2H2 restraints to arrange their Zn-coordinating atoms in a tetrahedron). In addition 192 dihedral restraints were used (100 from TALOS and 92 from CSI).
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: structures with acceptable covalent geometry,structures with the lowest energy,target function
Conformers calculated total number: 100 / Conformers submitted total number: 20

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