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- PDB-1mux: SOLUTION NMR STRUCTURE OF CALMODULIN/W-7 COMPLEX: THE BASIS OF DI... -

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Basic information

Entry
Database: PDB / ID: 1mux
TitleSOLUTION NMR STRUCTURE OF CALMODULIN/W-7 COMPLEX: THE BASIS OF DIVERSITY IN MOLECULAR RECOGNITION, 30 STRUCTURES
ComponentsCALMODULIN
KeywordsCALCIUM-BINDING / COMPLEX (CALMODULIN-INHIBITOR) / CALMODULIN / W-7 / NAPHTHALENESULFONAMIDE
Function / homology
Function and homology information


signaling receptor binding / calcium ion binding
Similarity search - Function
EF-hand / Recoverin; domain 1 / EF-hand domain pair / EF-hand, calcium binding motif / EF-Hand 1, calcium-binding site / EF-hand calcium-binding domain. / EF-hand calcium-binding domain profile. / EF-hand domain / EF-hand domain pair / Orthogonal Bundle / Mainly Alpha
Similarity search - Domain/homology
Chem-WW7 / Calmodulin-1 / Calmodulin-2 B
Similarity search - Component
Biological speciesXenopus laevis (African clawed frog)
MethodSOLUTION NMR / simulated annealing
AuthorsOsawa, M. / Swindells, M.B. / Tanikawa, J. / Tanaka, T. / Mase, T. / Furuya, T. / Ikura, M.
CitationJournal: J.Mol.Biol. / Year: 1998
Title: Solution structure of calmodulin-W-7 complex: the basis of diversity in molecular recognition.
Authors: Osawa, M. / Swindells, M.B. / Tanikawa, J. / Tanaka, T. / Mase, T. / Furuya, T. / Ikura, M.
History
DepositionSep 6, 1997Processing site: BNL
Revision 1.0Oct 14, 1998Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 23, 2022Group: Database references / Derived calculations / Other
Category: database_2 / pdbx_database_status ...database_2 / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_conn_angle / pdbx_struct_oper_list / struct_conn / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.process_site / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.value / _struct_conn.pdbx_dist_value / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id / _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

Downloads & links

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Assembly

Deposited unit
A: CALMODULIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)17,5637
Polymers16,7211
Non-polymers8426
Water0
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)30 / 100
Representative

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Components

#1: Protein CALMODULIN /


Mass: 16721.350 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Xenopus laevis (African clawed frog) / Plasmid: PAS / Production host: Escherichia coli (E. coli) / References: UniProt: P62155, UniProt: P0DP33*PLUS
#2: Chemical
ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Ca
#3: Chemical ChemComp-WW7 / N-(6-AMINOHEXYL)-5-CHLORO-1-NAPHTHALENESULFONAMIDE


Mass: 340.868 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C16H21ClN2O2S

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR detailsText: DUE TO THE LACK OF NOE'S BETWEEN THE N- AND C- TERMINAL DOMAINS, IT IS IMPOSSIBLE TO SUPERIMPOSE BOTH DOMAINS OF THE 30 NMR-DERIVED STRUCTURES SIMULTANEOOUSLY. HENCE, THE BACKBONE ATOMS OF THE ...Text: DUE TO THE LACK OF NOE'S BETWEEN THE N- AND C- TERMINAL DOMAINS, IT IS IMPOSSIBLE TO SUPERIMPOSE BOTH DOMAINS OF THE 30 NMR-DERIVED STRUCTURES SIMULTANEOOUSLY. HENCE, THE BACKBONE ATOMS OF THE C-TERMINAL DOMAIN HAVE HAVE BEEN SUPERIMPOSED.

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Sample preparation

Sample conditionsIonic strength: KCL, 100mM / pH: 6.8 / Pressure: 1 atm / Temperature: 308 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker AMX 600 / Manufacturer: Bruker / Model: AMX 600 / Field strength: 600 MHz

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Processing

Software
NameVersionClassification
X-PLOR3.1model building
X-PLOR3.1refinement
X-PLOR3.1phasing
NMR software
NameVersionDeveloperClassification
X-PLOR3.1BRUNGERrefinement
X-PLOR3.1structure solution
RefinementMethod: simulated annealing / Software ordinal: 1
NMR ensembleConformers calculated total number: 100 / Conformers submitted total number: 30

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