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- PDB-6dj3: Crystal structure of CNNM2 cyclic nucleotide-binding homology domain -

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Basic information

Entry
Database: PDB / ID: 6dj3
TitleCrystal structure of CNNM2 cyclic nucleotide-binding homology domain
ComponentsMetal transporter CNNM2
KeywordsTRANSPORT PROTEIN / CNNM2 / cyclic nucleotide-binding homology domain / Mg2+ transporter
Function / homology
Function and homology information


magnesium ion homeostasis / magnesium ion transmembrane transporter activity / basolateral plasma membrane / ATP binding / plasma membrane
Similarity search - Function
Ancient conserved domain protein family / Ion transporter-like, CBS domain / Cyclin M transmembrane N-terminal domain / CNNM, transmembrane domain / CNNM transmembrane domain profile. / CBS domain superfamily / CBS domain / CBS domain / CBS domain profile. / RmlC-like jelly roll fold
Similarity search - Domain/homology
Metal transporter CNNM2
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.6 Å
AuthorsChen, Y.S. / Gehring, K.
CitationJournal: J. Biol. Chem. / Year: 2018
Title: The cyclic nucleotide-binding homology domain of the integral membrane protein CNNM mediates dimerization and is required for Mg2+efflux activity.
Authors: Chen, Y.S. / Kozlov, G. / Fakih, R. / Funato, Y. / Miki, H. / Gehring, K.
History
DepositionMay 24, 2018Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 31, 2018Provider: repository / Type: Initial release
Revision 1.1Jan 16, 2019Group: Data collection / Database references / Category: citation
Item: _citation.journal_volume / _citation.page_first / _citation.page_last
Revision 1.2Oct 11, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
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: Metal transporter CNNM2
B: Metal transporter CNNM2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,6405
Polymers45,4542
Non-polymers1863
Water41423
1
B: Metal transporter CNNM2
hetero molecules

A: Metal transporter CNNM2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)45,6405
Polymers45,4542
Non-polymers1863
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
crystal symmetry operation2_564-y,x-y+1,z-1/31
Buried area1840 Å2
ΔGint-7 kcal/mol
Surface area16270 Å2
MethodPISA
Unit cell
Length a, b, c (Å)110.582, 110.582, 84.604
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number154
Space group name H-MP3221
Components on special symmetry positions
IDModelComponents
11A-1005-

HOH

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Components

#1: Protein Metal transporter CNNM2 / Ancient conserved domain-containing protein 2 / Cyclin-M2


Mass: 22727.084 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CNNM2, ACDP2 / Plasmid: pGEX-6P-1 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: Q9H8M5
#2: Chemical ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL / Ethylene glycol


Mass: 62.068 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C2H6O2
#3: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 23 / 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: 3.29 Å3/Da / Density % sol: 62.56 %
Crystal growTemperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6 / Details: 0.1 M Bis-Tris pH 6.0, 0.5 M Na Citrate pH 7.0

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: CLSI / Beamline: 08ID-1 / Wavelength: 1.0332 Å
DetectorType: RAYONIX MX-300 / Detector: CCD / Date: Jan 22, 2018
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.0332 Å / Relative weight: 1
ReflectionResolution: 2.6→50 Å / Num. obs: 14399 / % possible obs: 96.5 % / Redundancy: 8.7 % / Rsym value: 0.093 / Net I/σ(I): 19.8
Reflection shellResolution: 2.6→2.69 Å / Redundancy: 5.4 % / Mean I/σ(I) obs: 0.8 / Num. unique obs: 318 / CC1/2: 0.609 / % possible all: 70.9

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Processing

Software
NameVersionClassification
PHENIX1.12-2829refinement
HKL-2000data reduction
HKL-2000data scaling
PHENIX1.12-2829phasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 6DFD
Resolution: 2.6→47.9 Å / Cross valid method: THROUGHOUT
RfactorNum. reflection% reflection
Rfree0.251 -5 %
Rwork0.219 --
obs-14399 63.29 %
Refinement stepCycle: LAST / Resolution: 2.6→47.9 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms2332 0 12 23 2367

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