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- PDB-2vrg: Structure of human MCFD2 -

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Basic information

Entry
Database: PDB / ID: 2vrg
TitleStructure of human MCFD2
ComponentsMULTIPLE COAGULATION FACTOR DEFICIENCY PROTEIN 2
KeywordsTRANSPORT / ER-GOLGI TRANSPORT / GLYCOPROTEIN SORTING / DISEASE MUTATION / SECRETORY PATHWAY / PROTEIN TRANSPORT / ER / EF-HAND / CALCIUM / GOLGI APPARATUS / ENDOPLASMIC RETICULUM / COAGULATION FACTOR DEFICIENCY
Function / homology
Function and homology information


Transport to the Golgi and subsequent modification / Cargo concentration in the ER / COPII-mediated vesicle transport / vesicle-mediated transport / endoplasmic reticulum-Golgi intermediate compartment membrane / ER to Golgi transport vesicle membrane / protein transport / calcium ion binding / endoplasmic reticulum membrane / Golgi apparatus
Similarity search - Function
EF-hand / Recoverin; domain 1 / EF-hand domain pair / 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
Multiple coagulation factor deficiency protein 2
Similarity search - Component
Biological speciesHOMO SAPIENS (human)
MethodSOLUTION NMR / AB INITIO SIMULATED ANNEALING IN ARIA2
AuthorsGuy, J.E. / Wigren, E. / Svard, M. / Hard, T. / Lindqvist, Y.
CitationJournal: J. Mol. Biol. / Year: 2008
Title: New insights into multiple coagulation factor deficiency from the solution structure of human MCFD2.
Authors: Guy, J.E. / Wigren, E. / Svard, M. / Hard, T. / Lindqvist, Y.
History
DepositionApr 4, 2008Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jul 15, 2008Provider: repository / Type: Initial release
Revision 1.1May 8, 2011Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 7, 2018Group: Data collection / Database references ...Data collection / Database references / Experimental preparation / Source and taxonomy
Category: citation / entity_src_gen ...citation / entity_src_gen / pdbx_nmr_exptl_sample_conditions / pdbx_nmr_spectrometer
Item: _citation.journal_abbrev / _citation.journal_id_ISSN ..._citation.journal_abbrev / _citation.journal_id_ISSN / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.title / _entity_src_gen.pdbx_host_org_scientific_name / _entity_src_gen.pdbx_host_org_strain / _pdbx_nmr_exptl_sample_conditions.ionic_strength_units / _pdbx_nmr_exptl_sample_conditions.pressure / _pdbx_nmr_exptl_sample_conditions.pressure_units / _pdbx_nmr_exptl_sample_conditions.temperature / _pdbx_nmr_spectrometer.model
Revision 1.4May 15, 2024Group: Data collection / Database references / Other
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_nmr_software
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_mr / _pdbx_nmr_software.name

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: MULTIPLE COAGULATION FACTOR DEFICIENCY PROTEIN 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)14,0323
Polymers13,9521
Non-polymers802
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 / 100TOTAL ENERGY AND RESTRAINT VIOLATION STATISTICS
RepresentativeModel #2

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Components

#1: Protein MULTIPLE COAGULATION FACTOR DEFICIENCY PROTEIN 2 / NEURAL STEM CELL-DERIVED NEURONAL SURVIVAL PROTEIN / MCFD2


Mass: 13952.220 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) HOMO SAPIENS (human) / Production host: ESCHERICHIA COLI BL21(DE3) (bacteria) / References: UniProt: Q8NI22
#2: Chemical ChemComp-CA / CALCIUM ION


Mass: 40.078 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: Ca
Sequence detailsDEPOSITED SEQUENCE INCLUDES SIGNAL SEQUENCE, OUR CONSTRUCT CORRESPONDS TO MATURE MCFD2 (AND THE ...DEPOSITED SEQUENCE INCLUDES SIGNAL SEQUENCE, OUR CONSTRUCT CORRESPONDS TO MATURE MCFD2 (AND THE REMAINS OF AN N- TERMINAL THROMBIN CLEAVAGE SITE)

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
11115N HSQC
12113C HSQC
1313D HNCO
1413D CBCANH
1513D CBCA(CO)NH
1613D 15N-EDITED TOCSY- HSQC
1713D 15N-EDITED NOESY- HSQC
1813D (H)CCH-COSY
1913D 13C- EDITED NOESY
11012D (HB)CB(CGCDCE)HE
21113D 15N-EDITED NOESY-HSQC
21213D 13C-EDITED NOESY
NMR detailsText: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED MCFD2

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Sample preparation

DetailsContents: 90% WATER, 10% D2O
Sample conditions
Conditions-IDIonic strengthpHPressure (kPa)Temperature (K)
11 MM MES mM6.0 1 atm298.0 K
21 MM MES mM6.0 1 atm298.0 K

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Varian INOVAVarianINOVA8001
Varian INOVAVarianINOVA9002

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Processing

NMR software
NameVersionDeveloperClassification
ARIANILGES, RIEPING, HABECK, BARDIAUX, BERNARD, MALLIAVINrefinement
NMRPipestructure solution
CcpNmr AnalysisANALYSISstructure solution
TALOSstructure solution
ARIAstructure solution
RefinementMethod: AB INITIO SIMULATED ANNEALING IN ARIA2 / Software ordinal: 1
Details: REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE
NMR ensembleConformer selection criteria: TOTAL ENERGY AND RESTRAINT VIOLATION STATISTICS
Conformers calculated total number: 100 / Conformers submitted total number: 20

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