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- PDB-6e98: Solution NMR Structure of a Class I Hydrophobin from Phanerochaet... -

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Basic information

Entry
Database: PDB / ID: 6.0E+98
TitleSolution NMR Structure of a Class I Hydrophobin from Phanerochaete carnosa
ComponentsHydrophobin
KeywordsSTRUCTURAL PROTEIN / Hydrophobin
Function / homologyFungal hydrophobin / Hydrophobin / Hydrophobins / structural constituent of cell wall / fungal-type cell wall / extracellular region / Hydrophobin
Function and homology information
Biological speciesPhanerochaete carnosa
MethodSOLUTION NMR / torsion angle dynamics
AuthorsKenward, C. / Langelaan, D.N.
Funding support Canada, 1items
OrganizationGrant numberCountry
Natural Sciences and Engineering Research Council (NSERC, Canada)RGPIN-2017-05338 Canada
CitationJournal: To Be Published
Title: Solution NMR Structure of a Class I Hydrophobin from Phanerochaete carnosa
Authors: Kenward, C. / Langelaan, D.N.
History
DepositionJul 31, 2018Deposition site: RCSB / Processing site: RCSB
Revision 1.0Aug 7, 2019Provider: repository / Type: Initial release
Revision 1.1Jan 8, 2020Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization
Revision 1.2Jun 14, 2023Group: Database references / Other / Category: database_2 / pdbx_database_status
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_nmr_data

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Structure visualization

Structure viewerMolecule:
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Assembly

Deposited unit
A: Hydrophobin


Theoretical massNumber of molelcules
Total (without water)8,2861
Polymers8,2861
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_5551
Buried area0 Å2
ΔGint0 kcal/mol
Surface area5120 Å2
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)20 / 100structures with the lowest energy
RepresentativeModel #1lowest energy

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Components

#1: Protein Hydrophobin


Mass: 8286.277 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Phanerochaete carnosa (strain HHB-10118-sp) (fungus)
Strain: HHB-10118-sp / Gene: PHACADRAFT_78259 / Production host: Escherichia coli DH1 (bacteria) / Strain (production host): Shuffle / References: UniProt: K5VRK4

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDSample stateSpectrometer-IDType
111isotropic12D 1H-15N HSQC
121isotropic13D HNCO
131isotropic13D HN(CA)CB
141isotropic13D HN(CA)CO
151isotropic13D CBCA(CO)NH
191isotropic13D (H)CCH-TOCSY
1141isotropic13D (H)CCH-COSY
1131isotropic12D 1H-13C HSQC
181isotropic13D 1H-13C NOESY
1121isotropic13D 1H-15N NOESY
1112isotropic22D 1H-15N HSQC

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Sample preparation

Details
TypeSolution-IDContentsLabelSolvent system
solution1800 uM [U-13C; U-15N] PC1, 20 mM MES, 50 mM sodium chloride, 1 mM sodium azide, 90% H2O/10% D2OPC190% H2O/10% D2O
solution2110 uM [U-15N] PC1, 20 mM MES, 50 mM sodium chloride, 100% D2OPC1100% D2O
Sample
Conc. (mg/ml)ComponentIsotopic labelingSolution-ID
800 uMPC1[U-13C; U-15N]1
20 mMMESnatural abundance1
50 mMsodium chloridenatural abundance1
1 mMsodium azidenatural abundance1
110 uMPC1[U-15N]2
20 mMMESnatural abundance2
50 mMsodium chloridenatural abundance2
Sample conditionsIonic strength: 70 mM / Label: Condition 1 / pH: 6.5 / Pressure: 1 atm / Temperature: 303.15 K

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker AVANCE IIIBrukerAVANCE III8001
Bruker AVANCE IIIBrukerAVANCE III7002

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Processing

NMR software
NameVersionDeveloperClassification
TopSpinBruker Biospincollection
ARIA2.3.1Linge, O'Donoghue and Nilgesrefinement
NMRDrawDelaglio, Grzesiek, Vuister, Zhu, Pfeifer and Baxprocessing
AnalysisCCPNchemical shift assignment
ARIA2.3.1Linge, O'Donoghue and Nilgesstructure calculation
AnalysisCCPNdata analysis
RefinementMethod: torsion angle dynamics / Software ordinal: 2
NMR representativeSelection criteria: lowest energy
NMR ensembleConformer selection criteria: structures with the lowest energy
Conformers calculated total number: 100 / Conformers submitted total number: 20

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