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- PDB-7kq8: Structure of iron bound MEMO1 -

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Basic information

Entry
Database: PDB / ID: 7kq8
TitleStructure of iron bound MEMO1
ComponentsProtein MEMO1
KeywordsMETAL BINDING PROTEIN / Breast Cancer / Metastasis / Cell motility / iron binding protein
Function / homology
Function and homology information


regulation of microtubule-based process / ERBB2 Regulates Cell Motility / nucleus / cytosol
Similarity search - Function
MEMO1 family / Memo-like protein
Similarity search - Domain/homology
: / GLUTATHIONE / DI(HYDROXYETHYL)ETHER / Protein MEMO1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.15 Å
AuthorsBoniecki, M.T. / Uhlemann, E.E. / Dmitriev, O.Y.
Funding support Canada, 1items
OrganizationGrant numberCountry
Natural Sciences and Engineering Research Council (NSERC, Canada)RGPIN-2017-06822 Canada
CitationJournal: Elife / Year: 2024
Title: MEMO1 binds iron and modulates iron homeostasis in cancer cells.
Authors: Dolgova, N. / Uhlemann, E.E. / Boniecki, M.T. / Vizeacoumar, F.S. / Ara, A. / Nouri, P. / Ralle, M. / Tonelli, M. / Abbas, S.A. / Patry, J. / Elhasasna, H. / Freywald, A. / Vizeacoumar, F.J. / Dmitriev, O.Y.
History
DepositionNov 13, 2020Deposition site: RCSB / Processing site: RCSB
Revision 1.0Nov 17, 2021Provider: repository / Type: Initial release
Revision 1.1Oct 18, 2023Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model / struct_ncs_dom_lim
Item: _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id ..._struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id
Revision 1.2May 22, 2024Group: Database references / Category: citation / citation_author
Item: _citation.country / _citation.journal_abbrev ..._citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Protein MEMO1
B: Protein MEMO1
C: Protein MEMO1
D: Protein MEMO1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)138,42160
Polymers133,7674
Non-polymers4,65456
Water10,755597
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A: Protein MEMO1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)34,73618
Polymers33,4421
Non-polymers1,29417
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
2
B: Protein MEMO1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)34,74817
Polymers33,4421
Non-polymers1,30616
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
3
C: Protein MEMO1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)34,48212
Polymers33,4421
Non-polymers1,04011
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
4
D: Protein MEMO1
hetero molecules


Theoretical massNumber of molelcules
Total (without water)34,45613
Polymers33,4421
Non-polymers1,01412
Water181
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
MethodPISA
Unit cell
Length a, b, c (Å)139.643, 88.861, 97.360
Angle α, β, γ (deg.)90.000, 90.000, 90.000
Int Tables number18
Space group name H-MP21212
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11(chain A and ((resid 4 and (name N or name...
21(chain B and (resid 4 through 14 or resid 16...
31(chain C and (resid 4 through 5 or (resid 6...
41(chain D and ((resid 4 and (name N or name...

NCS domain segments:

Ens-ID: 1

Dom-IDComponent-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11ARGARGARGARG(chain A and ((resid 4 and (name N or name...AA41
12ARGARGGSHGSH(chain A and ((resid 4 and (name N or name...AA - E4 - 3011
13ARGARGGSHGSH(chain A and ((resid 4 and (name N or name...AA - E4 - 3011
14ARGARGGSHGSH(chain A and ((resid 4 and (name N or name...AA - E4 - 3011
15ARGARGGSHGSH(chain A and ((resid 4 and (name N or name...AA - E4 - 3011
21ARGARGGLYGLY(chain B and (resid 4 through 14 or resid 16...BB4 - 141 - 11
22TRPTRPPROPRO(chain B and (resid 4 through 14 or resid 16...BB16 - 2213 - 19
23LEULEULEULEU(chain B and (resid 4 through 14 or resid 16...BB24 - 2821 - 25
24ARGARGGSHGSH(chain B and (resid 4 through 14 or resid 16...BB - V4 - 3011
25ARGARGGSHGSH(chain B and (resid 4 through 14 or resid 16...BB - V4 - 3011
26ARGARGGSHGSH(chain B and (resid 4 through 14 or resid 16...BB - V4 - 3011
27ARGARGGSHGSH(chain B and (resid 4 through 14 or resid 16...BB - V4 - 3011
28ARGARGGSHGSH(chain B and (resid 4 through 14 or resid 16...BB - V4 - 3011
29ARGARGGSHGSH(chain B and (resid 4 through 14 or resid 16...BB - V4 - 3011
210ARGARGGSHGSH(chain B and (resid 4 through 14 or resid 16...BB - V4 - 3011
31ARGARGVALVAL(chain C and (resid 4 through 5 or (resid 6...CC4 - 51 - 2
32VALVALVALVAL(chain C and (resid 4 through 5 or (resid 6...CC63
33ARGARGHISHIS(chain C and (resid 4 through 5 or (resid 6...CC4 - 2971 - 294
34ARGARGHISHIS(chain C and (resid 4 through 5 or (resid 6...CC4 - 2971 - 294
35ARGARGHISHIS(chain C and (resid 4 through 5 or (resid 6...CC4 - 2971 - 294
41ARGARGARGARG(chain D and ((resid 4 and (name N or name...DD41
42ARGARGHISHIS(chain D and ((resid 4 and (name N or name...DD4 - 2971 - 294
43ARGARGHISHIS(chain D and ((resid 4 and (name N or name...DD4 - 2971 - 294
44ARGARGHISHIS(chain D and ((resid 4 and (name N or name...DD4 - 2971 - 294
45ARGARGHISHIS(chain D and ((resid 4 and (name N or name...DD4 - 2971 - 294

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Components

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Protein , 1 types, 4 molecules ABCD

#1: Protein
Protein MEMO1 / C21orf19-like protein / Hepatitis C virus NS5A-transactivated protein 7 / HCV NS5A-transactivated ...C21orf19-like protein / Hepatitis C virus NS5A-transactivated protein 7 / HCV NS5A-transactivated protein 7 / Mediator of ErbB2-driven cell motility 1 / Memo-1


Mass: 33441.770 Da / Num. of mol.: 4
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: MEMO1, C2orf4, MEMO, NS5ATP7, CGI-27 / Production host: Escherichia coli (E. coli) / References: UniProt: Q9Y316

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Non-polymers , 6 types, 653 molecules

#2: Chemical
ChemComp-GSH / GLUTATHIONE


Mass: 307.323 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C10H17N3O6S
#3: Chemical...
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 42 / Source method: obtained synthetically / Formula: C2H6O2
#4: Chemical
ChemComp-FE2 / FE (II) ION


Mass: 55.845 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: Fe / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL


Mass: 92.094 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C3H8O3
#6: Chemical ChemComp-PEG / DI(HYDROXYETHYL)ETHER


Mass: 106.120 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C4H10O3
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 597 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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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: 2.26 Å3/Da / Density % sol: 45.52 %
Crystal growTemperature: 301 K / Method: vapor diffusion, hanging drop
Details: 0.1 M MES pH 5.5-7.0 22% PEG3350 crystallization under anaerobic conditions
PH range: 5.5-7.0

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: CLSI / Beamline: 08ID-1 / Wavelength: 0.978 Å
DetectorType: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Feb 2, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.978 Å / Relative weight: 1
ReflectionResolution: 2.15→48.68 Å / Num. obs: 127620 / % possible obs: 99.9 % / Redundancy: 6.909 % / Biso Wilson estimate: 28.363 Å2 / CC1/2: 0.997 / Rmerge(I) obs: 0.132 / Rrim(I) all: 0.143 / Χ2: 1.094 / Net I/σ(I): 13.6 / Num. measured all: 881674 / Scaling rejects: 22
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. measured obsNum. possibleNum. unique obsCC1/2Rrim(I) all% possible all
2.15-2.26.4990.5134.2461029945793910.9230.55899.3
2.2-2.266.8860.4335.2963829927392700.9520.469100
2.26-2.336.6760.376.259782896189550.9640.40199.9
2.33-2.46.9860.3596.7960890871787160.9670.388100
2.4-2.486.7410.3487.1556280835283490.9670.377100
2.48-2.577.150.3348.2958380816581650.9740.36100
2.57-2.667.0720.2779.4855750788578830.980.299100
2.66-2.776.8020.24810.3351381755675540.9830.268100
2.77-2.97.0730.21511.8751451727572740.9850.232100
2.9-3.046.8790.16613.9247653692769270.9910.179100
3.04-3.27.0620.13915.9946635660566040.9940.15100
3.2-3.47.0830.10919.3144103622762270.9950.118100
3.4-3.636.8090.08822.0839992587358730.9960.095100
3.63-3.927.0740.07625.0738474543954390.9970.082100
3.92-4.36.8840.06726.9434579502350230.9970.072100
4.3-4.87.0810.05929.4632339456845670.9980.064100
4.8-5.556.920.06326.6127583398639860.9980.068100
5.55-6.796.9430.06824.8123424337433740.9980.073100
6.79-9.616.9550.05428.1218242262326230.9980.059100
9.61-48.686.9560.04930.779878143114200.9980.05399.2

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Processing

Software
NameVersionClassification
PHENIX1.19rc3_4028refinement
XSCALEdata scaling
PDB_EXTRACT3.27data extraction
XDSdata reduction
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 3BCZ
Resolution: 2.15→48.68 Å / SU ML: 0.2 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 20.83 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.202 3810 2.99 %
Rwork0.1592 123745 -
obs0.1604 127555 99.83 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso max: 82.44 Å2 / Biso mean: 26.4591 Å2 / Biso min: 12.28 Å2
Refinement stepCycle: final / Resolution: 2.15→48.68 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9275 0 351 597 10223
Biso mean--37.46 32.52 -
Num. residues----1176
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRmsType
11A5156X-RAY DIFFRACTION10.171TORSIONAL
12B5156X-RAY DIFFRACTION10.171TORSIONAL
13C5156X-RAY DIFFRACTION10.171TORSIONAL
14D5156X-RAY DIFFRACTION10.171TORSIONAL
LS refinement shell

Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 27

Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkNum. reflection all% reflection obs (%)
2.15-2.170.26741390.2164529466898
2.17-2.20.23941420.203145574699100
2.2-2.230.23451450.193845984743100
2.23-2.270.29971400.193145834723100
2.27-2.30.23521420.179246124754100
2.3-2.340.27421410.183645604701100
2.34-2.370.23041420.182545894731100
2.37-2.410.22971420.181145914733100
2.41-2.460.23591340.183245884722100
2.46-2.510.20811430.182446044747100
2.51-2.560.22731430.174545754718100
2.56-2.610.26151430.176845804723100
2.61-2.670.25231410.161345684709100
2.67-2.740.2131420.172145824724100
2.74-2.810.29191430.1746034746100
2.81-2.90.22641460.172245844730100
2.9-2.990.19811380.16945684706100
2.99-3.10.18431400.170245734713100
3.1-3.220.21561390.161146034742100
3.22-3.370.18411460.148946114757100
3.37-3.550.19911410.142245834724100
3.55-3.770.18821400.134746104750100
3.77-4.060.16841390.127945854724100
4.06-4.470.14121420.121145774719100
4.47-5.110.12881440.125145954739100
5.11-6.440.19841300.171945774707100
6.44-48.680.17881430.16974560470399
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
10.81350.0610.27050.6484-0.07042.38720.0360.0384-0.0398-0.03720.0431-0.02230.0091-0.0501-0.06580.1159-0.00490.00430.0895-0.00260.165118.038523.871511.714
20.7719-0.10540.13380.4745-0.15792.224-0.03210.00070.0251-0.0475-0.0627-0.05950.00310.05940.08260.13050.00080.01490.08750.02860.1995-16.441222.512636.8309
31.1945-0.07460.51980.55750.03442.4223-0.0528-0.01530.0760.0515-0.0871-0.0716-0.02860.16850.11660.14480.0007-0.01810.13570.0280.1989-16.899418.0201-9.7296
41.16150.07940.06840.7917-0.14822.1414-0.00340.02640.05040.01640.0071-0.0104-0.00120.0464-0.00090.11460.0157-0.0140.096-0.00470.147318.496417.04458.5989
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1(chain 'A' and resid 4 through 297)A4 - 297
2X-RAY DIFFRACTION2(chain 'B' and resid 4 through 297)B4 - 297
3X-RAY DIFFRACTION3(chain 'C' and resid 4 through 297)C4 - 297
4X-RAY DIFFRACTION4(chain 'D' and resid 4 through 297)D4 - 297

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