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- PDB-1dmd: THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF CALLINECTES SAPIDUS M... -

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Entry
Database: PDB / ID: 1dmd
TitleTHE THREE-DIMENSIONAL SOLUTION STRUCTURE OF CALLINECTES SAPIDUS METALLOTHIONEIN-I DETERMINED BY HOMONUCLEAR AND HETERONUCLEAR MAGNETIC RESONANCE SPECTOSCOPY
ComponentsCD6 METALLOTHIONEIN-1
KeywordsMETALLOTHIONEIN
Function / homologyMetallothionein, crustacean / Metallothionein domain superfamily / metal ion binding / : / Metallothionein-1B
Function and homology information
Biological speciesCallinectes sapidus (blue crab)
MethodSOLUTION NMR
AuthorsNarula, S.S. / Brouwer, M. / Hua, Y. / Armitage, I.M.
Citation
Journal: Biochemistry / Year: 1995
Title: Three-dimensional solution structure of Callinectes sapidus metallothionein-1 determined by homonuclear and heteronuclear magnetic resonance spectroscopy.
Authors: Narula, S.S. / Brouwer, M. / Hua, Y. / Armitage, I.M.
#1: Journal: Magn.Reson.Chem. / Year: 1993
Title: Establishment of Two Distinct Protein Domains in Blue Crab Callinectes Sapidus Metallothionein-I Through Heteronuclear (1H-113Cd) and Homonuclear (1H-1H) Correlation NMR Experiment
Authors: Narula, S.S. / Brouwer, M. / Armitage, I.M.
#2: Journal: J.Mol.Biol. / Year: 1990
Title: Three-Dimensional Structure of Human [113Cd-7] Metallothionein-2 in Solution Determined by Nuclear Magnetic Resonance Spectroscopy
Authors: Messerle, B.A. / Schaeffer, A. / Vasak, M. / Kaegi, J.H.R. / Wuthrich, K.
History
DepositionNov 22, 1994Processing site: BNL
Revision 1.0Feb 7, 1995Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 16, 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_seq_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_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
Revision 1.4May 22, 2024Group: Data collection / Category: chem_comp_atom / chem_comp_bond

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: CD6 METALLOTHIONEIN-1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)3,6174
Polymers3,2801
Non-polymers3373
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)18 / -
Representative

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Components

#1: Protein/peptide CD6 METALLOTHIONEIN-1


Mass: 3279.936 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Callinectes sapidus (blue crab) / References: UniProt: P55949
#2: Chemical ChemComp-CD / CADMIUM ION


Mass: 112.411 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Cd

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR

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Sample preparation

Crystal grow
*PLUS
Method: other / Details: NMR

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Processing

NMR softwareName: X-PLOR / Developer: BRUNGER / Classification: refinement
NMR ensembleConformers submitted total number: 18

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