data_940
#######################
# Entry information #
#######################
save_entry_information
_Saveframe_category entry_information
_Entry_title
;
Comparative Structural Analysis of the Calcium Free and Bound States of the
Calcium Regulatory Protein Calbindin D9K
;
_BMRB_accession_number 940
_BMRB_flat_file_name bmr940.str
_Entry_type update
_Submission_date 1995-07-31
_Accession_date 1996-04-13
_Entry_origination BMRB
_NMR_STAR_version 2.1.1
_Experimental_method NMR
_Details .
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Skelton Nicholas J. .
2 Kordel Johan . .
3 Forsen Sture . .
4 Chazin Walter J. .
stop_
loop_
_Saveframe_category_type
_Saveframe_category_type_count
assigned_chemical_shifts 1
stop_
loop_
_Data_type
_Data_type_count
"1H chemical shifts" 25
stop_
loop_
_Revision_date
_Revision_keyword
_Revision_author
_Revision_detail
2010-06-11 revision BMRB 'Complete natural source information'
1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format'
1996-04-13 revision BMRB 'Link to the Protein Data Bank added'
1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format'
1995-07-31 original BMRB 'Last release in original BMRB flat-file format'
stop_
save_
#############################
# Citation for this entry #
#############################
save_entry_citation
_Saveframe_category entry_citation
_Citation_full
;
Skelton, Nicholas J., Kordel, Johan, Forsen, Sture, Chazin, Walter J.,
"Comparative Structural Analysis of the Calcium Free and Bound States of
the Calcium Regulatory Protein Calbindin D9K,"
J. Mol. Biol. 213, 593-598 (1990).
;
_Citation_title
;
Comparative Structural Analysis of the Calcium Free and Bound States of the
Calcium Regulatory Protein Calbindin D9K
;
_Citation_status published
_Citation_type journal
_CAS_abstract_code .
_MEDLINE_UI_code .
_PubMed_ID ?
loop_
_Author_ordinal
_Author_family_name
_Author_given_name
_Author_middle_initials
_Author_family_title
1 Skelton Nicholas J. .
2 Kordel Johan . .
3 Forsen Sture . .
4 Chazin Walter J. .
stop_
_Journal_abbreviation 'J. Mol. Biol.'
_Journal_volume 213
_Journal_issue .
_Journal_CSD .
_Book_chapter_title .
_Book_volume .
_Book_series .
_Book_ISBN .
_Conference_state_province .
_Conference_abstract_number .
_Page_first 593
_Page_last 598
_Year 1990
_Details .
save_
##################################
# Molecular system description #
##################################
save_system_calbindin
_Saveframe_category molecular_system
_Mol_system_name calbindin
_Enzyme_commission_number .
loop_
_Mol_system_component_name
_Mol_label
calbindin $calbindin
stop_
_System_molecular_weight .
_System_oligomer_state ?
_System_paramagnetic ?
_System_thiol_state .
_Database_query_date .
_Details .
save_
########################
# Monomeric polymers #
########################
save_calbindin
_Saveframe_category monomeric_polymer
_Mol_type polymer
_Mol_polymer_class protein
_Name_common calbindin
_Name_variant 'calbindin D9k P43G, with leading methionine'
_Molecular_mass .
_Mol_thiol_state .
_Details .
##############################
# Polymer residue sequence #
##############################
_Residue_count 76
_Mol_residue_sequence
;
MKSPEELKGIFEKYAAKEGD
PNQLSKEELKLLLQTEFPSL
LKGGSTLDELFEELDKNGDG
EVSFEEFQVLVKKISQ
;
loop_
_Residue_seq_code
_Residue_label
1 MET 2 LYS 3 SER 4 PRO 5 GLU
6 GLU 7 LEU 8 LYS 9 GLY 10 ILE
11 PHE 12 GLU 13 LYS 14 TYR 15 ALA
16 ALA 17 LYS 18 GLU 19 GLY 20 ASP
21 PRO 22 ASN 23 GLN 24 LEU 25 SER
26 LYS 27 GLU 28 GLU 29 LEU 30 LYS
31 LEU 32 LEU 33 LEU 34 GLN 35 THR
36 GLU 37 PHE 38 PRO 39 SER 40 LEU
41 LEU 42 LYS 43 GLY 44 GLY 45 SER
46 THR 47 LEU 48 ASP 49 GLU 50 LEU
51 PHE 52 GLU 53 GLU 54 LEU 55 ASP
56 LYS 57 ASN 58 GLY 59 ASP 60 GLY
61 GLU 62 VAL 63 SER 64 PHE 65 GLU
66 GLU 67 PHE 68 GLN 69 VAL 70 LEU
71 VAL 72 LYS 73 LYS 74 ILE 75 SER
76 GLN
stop_
_Sequence_homology_query_date .
_Sequence_homology_query_revised_last_date 2014-10-25
loop_
_Database_name
_Database_accession_code
_Database_entry_mol_name
_Sequence_query_to_submitted_percentage
_Sequence_subject_length
_Sequence_identity
_Sequence_positive
_Sequence_homology_expectation_value
BMRB 15594 calbindin_in_presence_of_Yb3+ 98.68 75 98.67 98.67 7.28e-41
BMRB 16340 Calbindin_D9K 100.00 76 100.00 100.00 5.92e-43
BMRB 16758 calbindin 98.68 75 97.33 97.33 1.10e-39
BMRB 247 calbindin 100.00 76 98.68 98.68 1.00e-41
BMRB 325 calbindin 100.00 76 98.68 98.68 1.00e-41
BMRB 326 calbindin 100.00 76 100.00 100.00 5.92e-43
BMRB 327 calbindin 100.00 76 100.00 100.00 5.92e-43
BMRB 4581 calbindin_N56A 98.68 75 97.33 97.33 7.62e-40
BMRB 5207 F36G 100.00 76 97.37 97.37 2.47e-40
BMRB 6697 Calbindin_D9k 98.68 75 98.67 98.67 7.28e-41
BMRB 6699 Calbindin_D9k 98.68 75 98.67 98.67 7.28e-41
BMRB 753 calbindin 100.00 76 100.00 100.00 5.92e-43
BMRB 939 calbindin 100.00 76 100.00 100.00 5.92e-43
PDB 1B1G "Solvated Refinement Of Ca-Loaded Calbindin D9k" 98.68 75 100.00 100.00 6.59e-42
PDB 1CDN "Solution Structure Of (Cd2+)1-Calbindin D9k Reveals Details Of The Stepwise Structural Changes Along The Apo--> (Ca2+) Ii1--> (" 100.00 76 100.00 100.00 5.92e-43
PDB 1CLB "Determination Of The Solution Structure Of Apo Calbindin D9k By Nmr Spectroscopy" 100.00 76 100.00 100.00 5.92e-43
PDB 1D1O "Cooperativity In Ef-Hand Ca2+-Binding Proteins: Evidence Of Site-Site Communication From Binding-Induced Changes In Structure A" 98.68 75 97.33 97.33 7.62e-40
PDB 1HT9 "Domain Swapping Ef-Hands" 100.00 76 97.37 97.37 4.34e-41
PDB 1IG5 "Bovine Calbindin D9k Binding Mg2+" 98.68 75 98.67 98.67 1.02e-40
PDB 1IGV "Bovine Calbindin D9k Binding Mn2+" 98.68 75 98.67 98.67 1.02e-40
PDB 1KCY "Nmr Solution Structure Of Apo Calbindin D9k (F36g + P43m Mutant)" 98.68 75 97.33 97.33 2.24e-39
PDB 1KQV "Family Of Nmr Solution Structures Of Ca Ln Calbindin D9k" 98.68 79 98.67 98.67 4.42e-41
PDB 1KSM "Average Nmr Solution Structure Of Ca Ln Calbindin D9k" 98.68 79 98.67 98.67 4.42e-41
PDB 1N65 "Family Of Nmr Solution Structures Of Ca Ce Calbindin D9k In Denaturating Conditions" 98.68 75 98.67 98.67 7.28e-41
PDB 2BCA "High-Resolution Solution Structure Of Calcium-Loaded Calbindin D9k" 100.00 76 100.00 100.00 5.92e-43
PDB 2BCB "High-Resolution Solution Structure Of Calcium-Loaded Calbindin D9k" 98.68 75 100.00 100.00 6.59e-42
PDB 2MAZ "Backbone 1h, 13c, And 15n Chemical Shift Assignments For Bovine Apo Calbindin" 98.68 75 98.67 98.67 7.28e-41
PDB 3ICB "The Refined Structure Of Vitamin D-Dependent Calcium- Binding Protein From Bovine Intestine. Molecular Details, Ion Binding, An" 98.68 75 98.67 98.67 1.02e-40
PDB 4ICB "Proline Cis-trans Isomers In Calbindin D9k Observed By X-ray Crystallography" 100.00 76 98.68 98.68 1.00e-41
GB AAA30420 "calcium-binding protein [Bos taurus]" 98.68 79 98.67 98.67 6.19e-41
GB AAA72542 "intestinal calcium binding protein (ICaBP), minor A form [synthetic construct]" 100.00 76 98.68 98.68 1.00e-41
GB AAI18481 "S100 calcium binding protein G [Bos taurus]" 98.68 79 98.67 98.67 6.19e-41
GB ADO85633 "calbindin D9K [Ovis aries]" 52.63 40 97.50 97.50 3.53e-08
PRF 0707237A:PDB=3ICB "protein,Ca binding" 98.68 75 98.67 98.67 1.02e-40
REF NP_776682 "protein S100-G [Bos taurus]" 98.68 79 98.67 98.67 6.19e-41
REF XP_004021986 "PREDICTED: protein S100-G [Ovis aries]" 98.68 79 98.67 98.67 6.19e-41
REF XP_005701114 "PREDICTED: protein S100-G [Capra hircus]" 98.68 79 98.67 98.67 6.19e-41
REF XP_005888771 "PREDICTED: protein S100-G [Bos mutus]" 98.68 79 98.67 98.67 6.19e-41
REF XP_005982038 "PREDICTED: protein S100-G [Pantholops hodgsonii]" 98.68 79 98.67 98.67 6.19e-41
SP P02633 "RecName: Full=Protein S100-G; AltName: Full=Calbindin-D9k; AltName: Full=S100 calcium-binding protein G; AltName: Full=Vitamin " 98.68 79 98.67 98.67 6.19e-41
TPG DAA12577 "TPA: protein S100-G [Bos taurus]" 98.68 79 98.67 98.67 6.19e-41
stop_
save_
####################
# Natural source #
####################
save_natural_source
_Saveframe_category natural_source
loop_
_Mol_label
_Organism_name_common
_NCBI_taxonomy_ID
_Superkingdom
_Kingdom
_Genus
_Species
$calbindin cow 9913 Eukaryota Metazoa Bos taurus
stop_
save_
#########################
# Experimental source #
#########################
save_experimental_source
_Saveframe_category experimental_source
loop_
_Mol_label
_Production_method
_Host_organism_name_common
_Genus
_Species
_Strain
_Vector_name
$calbindin 'not available' . . . . .
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_one
_Saveframe_category sample
_Sample_type solution
_Details .
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_list
_Saveframe_category NMR_spectrometer
_Manufacturer unknown
_Model unknown
_Field_strength 0
_Details 'spectrometer information not available'
save_
#############################
# NMR applied experiments #
#############################
save__1
_Saveframe_category NMR_applied_experiment
_Sample_label $sample_one
save_
#######################
# Sample conditions #
#######################
save_sample_condition_set_one
_Saveframe_category sample_conditions
_Details .
loop_
_Variable_type
_Variable_value
_Variable_value_error
_Variable_value_units
pH 6 . na
temperature 300 . K
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chem_shift_reference_par_set_one
_Saveframe_category chemical_shift_reference
_Details .
loop_
_Mol_common_name
_Atom_type
_Atom_isotope_number
_Atom_group
_Chem_shift_units
_Chem_shift_value
_Reference_method
_Reference_type
_External_reference_sample_geometry
_External_reference_location
_External_reference_axis
_Indirect_shift_ratio_citation_label
_Correction_value_citation_label
H2O/HDO H . . ppm 4.75 . . . . . $entry_citation $entry_citation
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_chemical_shift_assignment_data_set_one
_Saveframe_category assigned_chemical_shifts
_Details .
loop_
_Sample_label
$sample_one
stop_
_Sample_conditions_label $sample_condition_set_one
_Chem_shift_reference_set_label $chem_shift_reference_par_set_one
_Mol_system_component_name calbindin
_Text_data_format .
_Text_data .
loop_
_Atom_shift_assign_ID
_Residue_author_seq_code
_Residue_seq_code
_Residue_label
_Atom_name
_Atom_type
_Chem_shift_value
_Chem_shift_value_error
_Chem_shift_ambiguity_code
1 . 15 ALA H H 8.33 . 1
2 . 15 ALA HA H 3.8 . 1
3 . 16 ALA H H 6.89 . 1
4 . 16 ALA HA H 4.3 . 1
5 . 18 GLU H H 9.71 . 1
6 . 18 GLU HA H 4.72 . 1
7 . 19 GLY H H 9 . 1
8 . 19 GLY HA2 H 3.95 . 2
9 . 19 GLY HA3 H 3.64 . 2
10 . 20 ASP H H 8.29 . 1
11 . 20 ASP HA H 4.69 . 1
12 . 23 GLN H H 7.23 . 1
13 . 23 GLN HA H 5.12 . 1
14 . 24 LEU H H 9.54 . 1
15 . 24 LEU HA H 5.48 . 1
16 . 25 SER H H 10.08 . 1
17 . 25 SER HA H 4.84 . 1
18 . 61 GLU H H 7.77 . 1
19 . 61 GLU HA H 5.13 . 1
20 . 62 VAL H H 10.33 . 1
21 . 62 VAL HA H 5.1 . 1
22 . 63 SER H H 9.55 . 1
23 . 63 SER HA H 4.88 . 1
24 . 64 PHE H H 9.6 . 1
25 . 64 PHE HA H 3.28 . 1
stop_
save_