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- PDB-1lcm: NMR minimized average structure of microcystin-LR -

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Basic information

Entry
Database: PDB / ID: 1lcm
TitleNMR minimized average structure of microcystin-LR
Componentsmicrocystin LR
KeywordsTOXIN / HYDROLASE INHIBITOR
Function / homologyMicrocystin LR / :
Function and homology information
Biological speciesMicrocystis aeruginosa (bacteria)
MethodSOLUTION NMR
AuthorsTrogen, G. / Zdunek, J.
Citation
Journal: Biochemistry / Year: 1996
Title: Conformational studies of microcystin-LR using NMR spectroscopy and molecular dynamics calculations.
Authors: Trogen, G.B. / Annila, A. / Eriksson, J. / Kontteli, M. / Meriluoto, J. / Sethson, I. / Zdunek, J. / Edlund, U.
#1: Journal: Nat.Struct.Biol. / Year: 1995
Title: Comparison of the Solution Structures of Microcystin-Lr and Motuporin
Authors: Bagu, J.R. / Sonnichsen, F.D. / Williams, D. / Andersen, R.J. / Sykes, B.D. / Holmes, C.F.
#2: Journal: Nature / Year: 1995
Title: Three-Dimensional Structure of the Catalytic Subunit of Protein Serine/Threonine Phosphatase-1
Authors: Goldberg, J. / Huang, H.B. / Kwon, Y.G. / Greengard, P. / Nairn, A.C. / Kuriyan, J.
History
DepositionDec 30, 1995Processing site: BNL
Revision 1.0Dec 7, 1996Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Database references / Derived calculations ...Database references / Derived calculations / Non-polymer description / Version format compliance
Revision 1.3Dec 12, 2012Group: Other
Revision 1.4Feb 6, 2013Group: Derived calculations
Revision 2.0Nov 15, 2023Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Database references / Derived calculations / Other
Category: atom_site / chem_comp_atom ...atom_site / chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_validate_main_chain_plane / pdbx_validate_peptide_omega / pdbx_validate_polymer_linkage / struct_conn / struct_site
Item: _atom_site.Cartn_x / _atom_site.Cartn_y ..._atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site.auth_atom_id / _atom_site.label_atom_id / _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.process_site / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_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_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

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Assembly

Deposited unit
A: microcystin LR


Theoretical massNumber of molelcules
Total (without water)1,0141
Polymers1,0141
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)1 / -MINIMIZED AVERAGE
Representative

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Components

#1: Protein/peptide microcystin LR / MICROCYSTIN-LR


Type: Oligopeptide / Class: Toxin / Mass: 1014.195 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Microcystis aeruginosa (bacteria) / Strain: FROM A NATURAL BLOOM IN LAKE AKERSVATN, NORWAY / References: NOR: NOR00109, Microcystin LR

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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

Software
NameVersionClassification
X-PLOR3model building
X-PLOR3refinement
X-PLOR3phasing
NMR softwareName: X-PLOR / Version: 3 / Developer: BRUNGER / Classification: refinement
NMR ensembleConformer selection criteria: MINIMIZED AVERAGE / Conformers submitted total number: 1

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