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- PDB-1ure: NMR STRUCTURE OF INTESTINAL FATTY ACID-BINDING PROTEIN COMPLEXED ... -

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Basic information

Entry
Database: PDB / ID: 1ure
TitleNMR STRUCTURE OF INTESTINAL FATTY ACID-BINDING PROTEIN COMPLEXED WITH PALMITATE, 20 STRUCTURES
ComponentsINTESTINAL FATTY ACID-BINDING PROTEIN
KeywordsLIPID BINDING PROTEIN / LIPID-BINDING / LIPID TRANSPORT
Function / homology
Function and homology information


Triglyceride catabolism / intestinal lipid absorption / apical cortex / intestinal absorption / long-chain fatty acid transmembrane transporter activity / long-chain fatty acid binding / microvillus / long-chain fatty acid transport / fatty acid transport / fatty acid binding ...Triglyceride catabolism / intestinal lipid absorption / apical cortex / intestinal absorption / long-chain fatty acid transmembrane transporter activity / long-chain fatty acid binding / microvillus / long-chain fatty acid transport / fatty acid transport / fatty acid binding / fatty acid metabolic process / nucleus / cytosol
Similarity search - Function
Fatty acid-binding protein, intestinal / Cytosolic fatty-acid binding proteins signature. / Intracellular lipid binding protein / Cytosolic fatty-acid binding / Lipocalin / cytosolic fatty-acid binding protein family / Lipocalin/cytosolic fatty-acid binding domain / Calycin beta-barrel core domain / Calycin / Lipocalin / Beta Barrel / Mainly Beta
Similarity search - Domain/homology
PALMITIC ACID / Fatty acid-binding protein, intestinal
Similarity search - Component
Biological speciesRattus norvegicus (Norway rat)
MethodSOLUTION NMR / DISTANCE GEOMETRY WITH SIMULATED ANNEALING REFINEMENT
AuthorsHodsdon, M.E. / Ponder, J.W. / Cistola, D.P.
Citation
Journal: J.Mol.Biol. / Year: 1996
Title: The NMR solution structure of intestinal fatty acid-binding protein complexed with palmitate: application of a novel distance geometry algorithm.
Authors: Hodsdon, M.E. / Ponder, J.W. / Cistola, D.P.
#1: Journal: J.Biomol.NMR / Year: 1995
Title: 1H, 13C and 15N Assignments and Chemical Shift-Derived Secondary Structure of Intestinal Fatty Acid-Binding Protein
Authors: Hodsdon, M.E. / Toner, J.J. / Cistola, D.P.
#2: Journal: Adv.Protein Chem. / Year: 1994
Title: Lipid-Binding Proteins: A Family of Fatty Acid and Retinoid Transport Proteins
Authors: Banaszak, L. / Winter, N. / Xu, Z. / Bernlohr, D.A. / Cowan, S. / Jones, T.A.
#3: Journal: J.Biol.Chem. / Year: 1993
Title: Rat Intestinal Fatty Acid Binding Protein. A Model System for Analyzing the Forces that Can Bind Fatty Acids to Protein
Authors: Sacchettini, J.C. / Gordon, J.I.
#4: Journal: J.Mol.Biol. / Year: 1989
Title: Crystal Structure of Rat Intestinal Fatty-Acid-Binding Protein. Refinement and Analysis of the Escherichia Coli-Derived Protein with Bound Palmitate
Authors: Sacchettini, J.C. / Gordon, J.I. / Banaszak, L.J.
History
DepositionJun 17, 1996Processing site: BNL
Revision 1.0Mar 12, 1997Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Mar 2, 2022Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other
Category: database_2 / pdbx_database_status ...database_2 / pdbx_database_status / pdbx_nmr_software / pdbx_struct_assembly / pdbx_struct_oper_list / 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_nmr_software.name / _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:
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Assembly

Deposited unit
A: INTESTINAL FATTY ACID-BINDING PROTEIN
hetero molecules


Theoretical massNumber of molelcules
Total (without water)15,2712
Polymers15,0151
Non-polymers2561
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 26FINAL PENALTY FUNCTION VALUES LESS THAN 10.0
Representative

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Components

#1: Protein INTESTINAL FATTY ACID-BINDING PROTEIN / IFABP / I-FABP


Mass: 15015.015 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Details: COMPLEXED WITH PALMITATE / Source: (gene. exp.) Rattus norvegicus (Norway rat) / Description: SEE REMARK 1, REFERENCE 1 / Cell: SMALL INTESTINAL ENTEROCYTE / Gene: POTENTIAL / Plasmid: PMON5840-I-FABP / Species (production host): Escherichia coli
Production host: Escherichia coli str. K-12 substr. MG1655 (bacteria)
Strain (production host): MG1655 / References: UniProt: P02693
#2: Chemical ChemComp-PLM / PALMITIC ACID


Mass: 256.424 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C16H32O2

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
1113-D 13C-RESOLVED NOESY
1213-D 15N-RESOLVED NOESY
1312-D 1H-HOMONUCLEAR NOESY
1412-D 13C-EDITED NOESY
NMR detailsText: LIMITS ON SECONDARY STRUCTURE ELEMENTS WERE DEFINED BY THE PROTON-CARBON CONSENSUS CHEMICAL SHIFT INDEX.

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Sample preparation

Sample conditionspH: 7.2 / Temperature: 310 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Varian UNITY / Manufacturer: Varian / Model: UNITY / Field strength: 500 MHz

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Processing

NMR software
NameDeveloperClassification
TinkerPONDERrefinement
Tinkerstructure solution
RefinementMethod: DISTANCE GEOMETRY WITH SIMULATED ANNEALING REFINEMENT
Software ordinal: 1
NMR ensembleConformer selection criteria: FINAL PENALTY FUNCTION VALUES LESS THAN 10.0
Conformers calculated total number: 26 / Conformers submitted total number: 20

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