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- PDB-4uei: Solution structure of the sterol carrier protein domain 2 of Heli... -

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Basic information

Entry
Database: PDB / ID: 4uei
TitleSolution structure of the sterol carrier protein domain 2 of Helicoverpa armigera
ComponentsSTEROL CARRIER PROTEIN 2/3-OXOACYL-COA THIOLASE
KeywordsTRANSFERASE / SCP-2 / INSECTICIDAL TARGET
Function / homology
Function and homology information


propanoyl-CoA C-acyltransferase activity / propionyl-CoA C2-trimethyltridecanoyltransferase activity / propanoyl-CoA C-acyltransferase / lipid transport / peroxisome / lipid binding / mitochondrion
Similarity search - Function
SCP2 sterol-binding domain / SCP-2 sterol transfer family / SCP2 sterol-binding domain / Nonspecific Lipid-transfer Protein; Chain A / SCP2 sterol-binding domain superfamily / Thiolase, acyl-enzyme intermediate active site / Thiolases acyl-enzyme intermediate signature. / Thiolase, conserved site / Thiolases signature 2. / Thiolase, C-terminal ...SCP2 sterol-binding domain / SCP-2 sterol transfer family / SCP2 sterol-binding domain / Nonspecific Lipid-transfer Protein; Chain A / SCP2 sterol-binding domain superfamily / Thiolase, acyl-enzyme intermediate active site / Thiolases acyl-enzyme intermediate signature. / Thiolase, conserved site / Thiolases signature 2. / Thiolase, C-terminal / Thiolase, C-terminal domain / Thiolase, N-terminal / Thiolase, N-terminal domain / Thiolase-like / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Non-specific lipid-transfer protein
Similarity search - Component
Biological speciesHELICOVERPA ARMIGERA (cotton bollworm)
MethodSOLUTION NMR / ARIA
AuthorsLiu, X. / Ma, H. / Yan, X. / Hong, H. / Peng, J. / Peng, R.
CitationJournal: Sci.Rep. / Year: 2015
Title: NMR Structure and Function of Helicoverpa Armigera Sterol Carrier Protein-2, an Important Insecticidal Target from the Cotton Bollworm.
Authors: Ma, H. / Ma, Y. / Liu, X. / Dyer, D.H. / Xu, P. / Liu, K. / Lan, Q. / Hong, H. / Peng, J. / Peng, R.
History
DepositionDec 18, 2014Deposition site: PDBE / Processing site: PDBE
Revision 1.0Dec 30, 2015Provider: repository / Type: Initial release
Revision 2.0Oct 23, 2019Group: Atomic model / Data collection / Other
Category: atom_site / pdbx_database_status / pdbx_nmr_software
Item: _atom_site.Cartn_x / _atom_site.Cartn_y ..._atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _pdbx_database_status.status_code_cs / _pdbx_database_status.status_code_mr / _pdbx_nmr_software.name
Revision 2.1May 15, 2024Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: STEROL CARRIER PROTEIN 2/3-OXOACYL-COA THIOLASE


Theoretical massNumber of molelcules
Total (without water)14,0521
Polymers14,0521
Non-polymers00
Water0
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 200LOWEST ENERGY
Representative

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Components

#1: Protein STEROL CARRIER PROTEIN 2/3-OXOACYL-COA THIOLASE / HASCP-2


Mass: 14051.941 Da / Num. of mol.: 1 / Fragment: DOMAIN 2, UNP RESIDUES 407-531
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) HELICOVERPA ARMIGERA (cotton bollworm) / Plasmid: PGEX-KG / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: K7NSY9

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111CFHSQC
121CHSQC A
131NHSQC
141ALPHTIC-HSQC
151CBCA(CO)NH
161FOLD-C13
171GCCCONH
181HBHA(CO)NH
191HCCHTOCSY
1101HN(CA)CB
1111HNCO
1121HSQC NH
1131NOESYAROM
1141NOESYCHSQC
1151NOESYNHSQC
NMR detailsText: NONE

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Sample preparation

DetailsContents: 90% H2O / 10% D2O
Sample conditionsIonic strength: 120 mM / pH: 6.5 / Pressure: 1.0 atm / Temperature: 298.0 K

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NMR measurement

NMR spectrometerType: Varian DD2 / Manufacturer: Varian / Model: DD2 / Field strength: 600 MHz

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Processing

NMR software
NameVersionDeveloperClassification
CNS/ARIAA.T.BRUNGER, P.D.ADAMS, G.M.CLORE, W.L. DELANO, P.GROS, R.W.GROSSE-KUNSTLEVE, J.-S. JIANG, J.M.KRAHN, J.KUSZEWSKI, M.NILGES, N.S. PANNU, R.J.READ, L.M.RICE, G.F.SCHROEDER, T. SIMONSON, G.L.WARRENrefinement
CcpNmr Analysis2.3structure solution
PyRPF0.4structure solution
CcpNmr Analysis2.4structure solution
DANGLE1.1structure solution
RefinementMethod: ARIA / Software ordinal: 1
NMR ensembleConformer selection criteria: LOWEST ENERGY / Conformers calculated total number: 200 / Conformers submitted total number: 20

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