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- PDB-2n5h: PltL-holo -

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Basic information

Entry
Database: PDB / ID: 2n5h
TitlePltL-holo
ComponentsPeptidyl carrier protein PltL
KeywordsTRANSPORT PROTEIN / peptidyl carrier protein / pyoluteorin / PltL / pyrrole
Function / homologyACP-like superfamily / Phosphopantetheine binding ACP domain / Phosphopantetheine attachment site / peptide transport / Peptidyl carrier protein PltL
Function and homology information
Biological speciesPseudomonas protegens (bacteria)
MethodSOLUTION NMR / molecular dynamics
Model detailslowest energy, model1
AuthorsJaremko, M.J. / Lee, D.J. / Burkart, M.D.
CitationJournal: J.Am.Chem.Soc. / Year: 2015
Title: Structure and Substrate Sequestration in the Pyoluteorin Type II Peptidyl Carrier Protein PltL.
Authors: Jaremko, M.J. / Lee, D.J. / Opella, S.J. / Burkart, M.D.
Validation Report
SummaryFull reportAbout validation report
History
DepositionJul 17, 2015Deposition site: BMRB / Processing site: RCSB
Revision 1.0Sep 16, 2015Provider: repository / Type: Initial release
Revision 1.1Sep 30, 2015Group: Database references

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Peptidyl carrier protein PltL
hetero molecules


Theoretical massNumber of molelcules
Total (without water)10,6712
Polymers10,3131
Non-polymers3581
Water0
1


TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 20structures with the lowest energy
RepresentativeModel #1lowest energy

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Components

#1: Protein/peptide Peptidyl carrier protein PltL


Mass: 10312.802 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas protegens (bacteria) / Strain: Pf-5 / ATCC BAA-477 / Gene: pltL, PFL_2786 / Production host: Escherichia coli (E. coli) / References: UniProt: Q4KCZ1
#2: Chemical ChemComp-PNS / 4'-PHOSPHOPANTETHEINE


Mass: 358.348 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C11H23N2O7PS / Phosphopantetheine

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment

Conditions-ID: 1 / Solution-ID: 1

Experiment-IDType
12D 1H-15N HSQC
22D 1H-13C HSQC
33D CBCA(CO)NH
43D HNCO
53D HN(CA)CB
63D (H)CCH-TOCSY
73D 1H-15N NOESY
83D 1H-13C NOESY aliphatic
93D 1H-13C NOESY aromatic
103D (H)CCH-COSY

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Sample preparation

DetailsContents: 50 mM potassium phosphate, 5 mM TCEP, 0.1 % sodium azide, 90% H2O/10% D2O
Solvent system: 90% H2O/10% D2O
Sample
Conc. (mg/ml)ComponentSolution-ID
50 mMpotassium phosphate-11
5 mMTCEP-21
0.1 %sodium azide-31
Sample conditionspH: 7.4 / Pressure: ambient / Temperature: 298.15 K

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Varian VS 500VarianVS 5005001
Bruker Avance 600BrukerAvance 6006002
Varian VS 800VarianVS 8008003

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Processing

NMR software
NameDeveloperClassification
CYANAGuntert, Mumenthaler and Wuthrichstructure solution
CNSBrunger, Adams, Clore, Gros, Nilges and Readrefinement
RefinementMethod: molecular dynamics / Software ordinal: 1
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 20 / Conformers submitted total number: 20

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