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- PDB-4nyk: Structure of a membrane protein -

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Basic information

Entry
Database: PDB / ID: 4nyk
TitleStructure of a membrane protein
ComponentsAcid-sensing ion channel 1
KeywordsTRANSPORT PROTEIN / ion channel
Function / homology
Function and homology information


: / Stimuli-sensing channels / ligand-gated sodium channel activity / cellular response to pH / protein homotrimerization / sodium ion transmembrane transport / identical protein binding / plasma membrane
Similarity search - Function
Acid-sensing ion channel domain / acid-sensing ion channel 1 fold / acid-sensing ion channel 1 domain / Acid-sensing ion channels like fold / Acid-sensing ion channels like domains / YojJ-like / Epithelial sodium channel, chordates / Epithelial sodium channel, conserved site / Amiloride-sensitive sodium channels signature. / Epithelial sodium channel ...Acid-sensing ion channel domain / acid-sensing ion channel 1 fold / acid-sensing ion channel 1 domain / Acid-sensing ion channels like fold / Acid-sensing ion channels like domains / YojJ-like / Epithelial sodium channel, chordates / Epithelial sodium channel, conserved site / Amiloride-sensitive sodium channels signature. / Epithelial sodium channel / Amiloride-sensitive sodium channel / Helix Hairpins / Sandwich / Orthogonal Bundle / Mainly Beta / Mainly Alpha
Similarity search - Domain/homology
Acid-sensing ion channel 1
Similarity search - Component
Biological speciesGallus gallus (chicken)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3 Å
AuthorsBaconguis, I. / Bohlen, C.J. / Goehring, A. / Julius, D. / Gouaux, E.
CitationJournal: Nature / Year: 2009
Title: Pore architecture and ion sites in acid-sensing ion channels and P2X receptors.
Authors: Gonzales, E.B. / Kawate, T. / Gouaux, E.
History
DepositionDec 10, 2013Deposition site: RCSB / Processing site: RCSB
SupersessionFeb 12, 2014ID: 3HGC
Revision 1.0Feb 12, 2014Provider: repository / Type: Initial release

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: Acid-sensing ion channel 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)53,5872
Polymers53,5521
Non-polymers351
Water90150
1
A: Acid-sensing ion channel 1
hetero molecules

A: Acid-sensing ion channel 1
hetero molecules

A: Acid-sensing ion channel 1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)160,7626
Polymers160,6553
Non-polymers1063
Water543
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_555-y,x-y,z1
crystal symmetry operation3_555-x+y,-x,z1
Buried area16070 Å2
ΔGint-109 kcal/mol
Surface area49050 Å2
MethodPISA
Unit cell
Length a, b, c (Å)131.787, 131.787, 119.107
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number146
Space group name H-MH3

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Components

#1: Protein Acid-sensing ion channel 1 / / ASIC1 / Amiloride-sensitive cation channel 2 / neuronal


Mass: 53551.789 Da / Num. of mol.: 1 / Fragment: UNP residues 2-466
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Gallus gallus (chicken) / Gene: ASIC1, ACCN2 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: Q1XA76
#2: Chemical ChemComp-CL / CHLORIDE ION / Chloride


Mass: 35.453 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: Cl
#3: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 50 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 3.72 Å3/Da / Density % sol: 66.91 %
Crystal growTemperature: 277 K / Method: vapor diffusion, hanging drop / pH: 6.5
Details: 0.15-0.35 M SODIUM CHLORIDE, 0.1 M HEPES, 23-28% PEG 400, 0.01 M TAURINE, PH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 5.0.2 / Wavelength: 1 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Nov 7, 2007
RadiationMonochromator: Double-crystal, Si(111) liquid N2 cooled / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1 Å / Relative weight: 1
ReflectionResolution: 3→80 Å / Num. all: 15481 / Num. obs: 15435 / % possible obs: 99.7 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Rmerge(I) obs: 0.108 / Net I/σ(I): 15.5

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Processing

Software
NameVersionClassification
ADSCQuantumdata collection
PHASERphasing
PHENIX(phenix.refine: dev_1402)refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3→41.203 Å / SU ML: 0.42 / σ(F): 1.96 / Phase error: 24.72 / Stereochemistry target values: ML
RfactorNum. reflection% reflectionSelection details
Rfree0.2461 793 5.14 %randon
Rwork0.2016 ---
obs0.204 15435 99.92 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3→41.203 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms3225 0 1 50 3276
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.0073309
X-RAY DIFFRACTIONf_angle_d1.0064489
X-RAY DIFFRACTIONf_dihedral_angle_d14.4371185
X-RAY DIFFRACTIONf_chiral_restr0.067491
X-RAY DIFFRACTIONf_plane_restr0.004590
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3-3.18830.33421360.2642447X-RAY DIFFRACTION100
3.1883-3.43430.27161500.23242439X-RAY DIFFRACTION100
3.4343-3.77970.26871390.1962419X-RAY DIFFRACTION100
3.7797-4.32620.2331320.17772437X-RAY DIFFRACTION100
4.3262-5.44850.20121230.17332461X-RAY DIFFRACTION100
5.4485-41.20670.23771130.21462447X-RAY DIFFRACTION100

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