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    <admin>
        <current_status>
            <date>2024-05-22</date>
            <code>REL</code>
            <processing_site>PDBe</processing_site>
        </current_status>
        <sites>
            <deposition>PDBe</deposition>
            <last_processing>PDBe</last_processing>
        </sites>
        <key_dates>
            <deposition>2019-06-07</deposition>
            <header_release>2019-10-16</header_release>
            <map_release>2019-11-20</map_release>
            <update>2024-05-22</update>
        </key_dates>
        <grant_support>
            <grant_reference>
                <funding_body>German Research Foundation</funding_body>
                <country>Germany</country>
            </grant_reference>
        </grant_support>
        <title>THE STRUCTURE OF BD OXIDASE FROM ESCHERICHIA COLI</title>
        <authors_list>
            <author>Rasmussen T</author>
            <author>Boettcher B</author>
        </authors_list>
        <keywords>BD OXIDASE, TERMINAL OXIDASE, OXIDOREDUCTASE</keywords>
    </admin>
    <crossreferences>
        <citation_list>
            <primary_citation>
                <journal_citation published="true">
                    <author order="1">Thesseling A</author>
                    <author order="2">Rasmussen T</author>
                    <author order="3">Burschel S</author>
                    <author order="4">Wohlwend D</author>
                    <author order="5">Kagi J</author>
                    <author order="6">Muller R</author>
                    <author order="7">Bottcher B</author>
                    <author order="8">Friedrich T</author>
                    <title>Homologous bd oxidases share the same architecture but differ in mechanism.</title>
                    <journal_abbreviation>Nat Commun</journal_abbreviation>
                    <country>UK</country>
                    <volume>10</volume>
                    <first_page>5138</first_page>
                    <last_page>5138</last_page>
                    <year>2019</year>
                    <external_references type="PUBMED">31723136</external_references>
                    <external_references type="DOI">doi:10.1038/s41467-019-13122-4</external_references>
                    <external_references type="ISSN">2041-1723</external_references>
                </journal_citation>
            </primary_citation>
        </citation_list>
        <pdb_list>
            <pdb_reference>
                <pdb_id>6rx4</pdb_id>
                <relationship>
                    <in_frame>FULLOVERLAP</in_frame>
                </relationship>
            </pdb_reference>
        </pdb_list>
    </crossreferences>
    <sample>
        <name>bd-oxidase from Escherichia coli</name>
        <supramolecule_list>
            <complex_supramolecule supramolecule_id="1">
                <name>bd-oxidase from Escherichia coli</name>
                <parent>0</parent>
                <macromolecule_list>
                    <macromolecule>
                        <macromolecule_id>1</macromolecule_id>
                    </macromolecule>
                    <macromolecule>
                        <macromolecule_id>2</macromolecule_id>
                    </macromolecule>
                    <macromolecule>
                        <macromolecule_id>3</macromolecule_id>
                    </macromolecule>
                    <macromolecule>
                        <macromolecule_id>4</macromolecule_id>
                    </macromolecule>
                </macromolecule_list>
                <details>Reconstruction into Amphipole A8-35 in the presence of the inhibitor aurachin C.</details>
                <natural_source database="NCBI">
                    <organism ncbi="83333">Escherichia coli K-12</organism>
                </natural_source>
            </complex_supramolecule>
        </supramolecule_list>
        <macromolecule_list>
            <protein_or_peptide macromolecule_id="1">
                <name>Cytochrome bd-I ubiquinol oxidase subunit 1</name>
                <natural_source database="NCBI">
                    <organism ncbi="83333">Escherichia coli (strain K12)</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.058251723</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>MLDIVELSRLQFALTAMYHFLFVPLTLGMAFLLAIMETVYVLSGKQIYKDMTKFWGKLFGINFALGVATGLTMEFQFGTN
WSYYSHYVGDIFGAPLAIEGLMAFFLESTFVGLFFFGWDRLGKVQHMCVTWLVALGSNLSALWILVANGWMQNPIASDFN
FETMRMEMVSFSELVLNPVAQVKFVHTVASGYVTGAMFILGISAWYMLKGRDFAFAKRSFAIAASFGMAAVLSVIVLGDE
SGYEMGDVQKTKLAAIEAEWETQPAPAAFTLFGIPDQEEETNKFAIQIPYALGIIATRSVDTPVIGLKELMVQHEERIRN
GMKAYSLLEQLRSGSTDQAVRDQFNSMKKDLGYGLLLKRYTPNVADATEAQIQQATKDSIPRVAPLYFAFRIMVACGFLL
LAIIALSFWSVIRNRIGEKKWLLRAALYGIPLPWIAVEAGWFVAEYGRQPWAIGEVLPTAVANSSLTAGDLIFSMVLICG
LYTLFLVAELFLMFKFARLGPSSLKTGRYHFEQSSTTTQPAR</string>
                    <external_references type="UNIPROTKB">P0ABJ9</external_references>
                </sequence>
                <ec_number>7.1.1.7</ec_number>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="2">
                <name>Cytochrome bd-I ubiquinol oxidase subunit 2</name>
                <natural_source database="NCBI">
                    <organism ncbi="83333">Escherichia coli (strain K12)</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.042479828</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>MIDYEVLRFIWWLLVGVLLIGFAVTDGFDMGVGMLTRFLGRNDTERRIMINSIAPHWDGNQVWLITAGGALFAAWPMVYA
AAFSGFYVAMILVLASLFFRPVGFDYRSKIEETRWRNMWDWGIFIGSFVPPLVIGVAFGNLLQGVPFNVDEYLRLYYTGN
FFQLLNPFGLLAGVVSVGMIITQGATYLQMRTVGELHLRTRATAQVAALVTLVCFALAGVWVMYGIDGYVVKSTMDHYAA
SNPLNKEVVREAGAWLVNFNNTPILWAIPALGVVLPLLTILTARMDKAAWAFVFSSLTLACIILTAGIAMFPFVMPSSTM
MNASLTMWDATSSQLTLNVMTWVAVVLVPIILLYTAWCYWKMFGRITKEDIERNTHSLY</string>
                    <external_references type="UNIPROTKB">P0ABK2</external_references>
                </sequence>
                <ec_number>7.1.1.7</ec_number>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="3">
                <name>Cytochrome bd-I ubiquinol oxidase subunit X</name>
                <natural_source database="NCBI">
                    <organism ncbi="83333">Escherichia coli (strain K12)</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.004043662999999999</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>MWYFAWILGTLLACSFGVITALALEHVESGKAGQEDI</string>
                    <external_references type="UNIPROTKB">P56100</external_references>
                </sequence>
                <ec_number>7.1.1.7</ec_number>
            </protein_or_peptide>
            <protein_or_peptide macromolecule_id="4">
                <name>Cytochrome bd-I ubiquinol oxidase subunit Y</name>
                <natural_source database="NCBI">
                    <organism ncbi="83333">Escherichia coli K-12</organism>
                </natural_source>
                <molecular_weight>
                    <theoretical units="MDa">0.002230741</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <enantiomer>LEVO</enantiomer>
                <sequence>
                    <string>(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)
(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)(UNK)</string>
                </sequence>
            </protein_or_peptide>
            <ligand macromolecule_id="5">
                <name>HEME B/C</name>
                <molecular_weight>
                    <theoretical units="MDa">0.0006185030000000001</theoretical>
                </molecular_weight>
                <number_of_copies>2</number_of_copies>
                <formula>HEB</formula>
            </ligand>
            <ligand macromolecule_id="6">
                <name>CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE</name>
                <molecular_weight>
                    <theoretical units="MDa">0.0006324869999999999</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <formula>HDD</formula>
            </ligand>
            <ligand macromolecule_id="7">
                <name>1,2-dioleoyl-sn-glycero-3-phosphoethanolamine</name>
                <molecular_weight>
                    <theoretical units="MDa">0.000744034</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <formula>PEE</formula>
            </ligand>
            <ligand macromolecule_id="8">
                <name>Ubiquinone-8</name>
                <molecular_weight>
                    <theoretical units="MDa">0.000727109</theoretical>
                </molecular_weight>
                <number_of_copies>1</number_of_copies>
                <formula>UQ8</formula>
            </ligand>
            <ligand macromolecule_id="9">
                <name>water</name>
                <molecular_weight>
                    <theoretical units="MDa">1.8015e-05</theoretical>
                </molecular_weight>
                <number_of_copies>7</number_of_copies>
                <formula>HOH</formula>
            </ligand>
        </macromolecule_list>
    </sample>
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        <structure_determination structure_determination_id="1">
            <method>singleParticle</method>
            <aggregation_state>particle</aggregation_state>
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                <single_particle_preparation preparation_id="1">
                    <concentration units="mg/mL">2</concentration>
                    <buffer>
                        <ph>7.5</ph>
                        <component>
                            <concentration units="mM">20.0</concentration>
                            <formula>C7H15NO4S</formula>
                            <name>MOPS</name>
                        </component>
                        <component>
                            <concentration units="mM">20.0</concentration>
                            <formula>NaCl</formula>
                            <name>sodium chloride</name>
                        </component>
                    </buffer>
                    <grid>
                        <model>Quantifoil R1.2/1.3</model>
                        <material>COPPER</material>
                        <mesh>400</mesh>
                        <support_film film_type_id="1">
                            <film_material>CARBON</film_material>
                            <film_topology>HOLEY</film_topology>
                        </support_film>
                        <pretreatment>
                            <type>GLOW DISCHARGE</type>
                            <time units="s">120</time>
                            <atmosphere>AIR</atmosphere>
                            <pressure units="kPa">0.0029300000000000003</pressure>
                        </pretreatment>
                    </grid>
                    <vitrification>
                        <cryogen_name>ETHANE</cryogen_name>
                        <chamber_humidity units="percentage">100</chamber_humidity>
                        <chamber_temperature units="K">277</chamber_temperature>
                        <instrument>FEI VITROBOT MARK IV</instrument>
                        <details>blot time 3.5 sec,
blot force 5. </details>
                    </vitrification>
                </single_particle_preparation>
            </specimen_preparation_list>
            <microscopy_list>
                <single_particle_microscopy microscopy_id="1">
                    <microscope>FEI TITAN KRIOS</microscope>
                    <illumination_mode>FLOOD BEAM</illumination_mode>
                    <imaging_mode>BRIGHT FIELD</imaging_mode>
                    <electron_source>FIELD EMISSION GUN</electron_source>
                    <acceleration_voltage units="kV">300</acceleration_voltage>
                    <c2_aperture_diameter units="µm">70.0</c2_aperture_diameter>
                    <nominal_cs units="mm">2.7</nominal_cs>
                    <nominal_defocus_min units="µm">1.4000000000000001</nominal_defocus_min>
                    <nominal_defocus_max units="µm">2.2</nominal_defocus_max>
                    <nominal_magnification>75000.0</nominal_magnification>
                    <specimen_holder_model>FEI TITAN KRIOS AUTOGRID HOLDER</specimen_holder_model>
                    <cooling_holder_cryogen>NITROGEN</cooling_holder_cryogen>
                    <alignment_procedure>
                        <coma_free/>
                    </alignment_procedure>
                    <image_recording_list>
                        <image_recording image_recording_id="1">
                            <film_or_detector_model>FEI FALCON III (4k x 4k)</film_or_detector_model>
                            <detector_mode>COUNTING</detector_mode>
                            <number_grids_imaged>1</number_grids_imaged>
                            <number_real_images>8663</number_real_images>
                            <average_exposure_time units="s">75.0</average_exposure_time>
                            <average_electron_dose_per_image units="e/Å^2">59.0</average_electron_dose_per_image>
                            <details>Images were collected in movie mode with 47 frames.</details>
                        </image_recording>
                    </image_recording_list>
                </single_particle_microscopy>
            </microscopy_list>
            <singleparticle_processing image_processing_id="1">
                <image_recording_id>1</image_recording_id>
                <details>Movies were motion corrected and dose weighted with the program Motioncorr2.</details>
                <startup_model type_of_model="NONE"/>
                <final_reconstruction>
                    <applied_symmetry>
                        <point_group>C1</point_group>
                    </applied_symmetry>
                    <algorithm>FOURIER SPACE</algorithm>
                    <resolution units="Å" res_type="BY AUTHOR">3.3</resolution>
                    <resolution_method>FSC 0.143 CUT-OFF</resolution_method>
                    <software_list>
                        <software>
                            <name>RELION</name>
                            <version>3.0</version>
                        </software>
                    </software_list>
                    <number_images_used>197805</number_images_used>
                </final_reconstruction>
                <initial_angle_assignment>
                    <type>MAXIMUM LIKELIHOOD</type>
                    <software_list>
                        <software>
                            <name>RELION</name>
                            <version>3.0</version>
                        </software>
                    </software_list>
                </initial_angle_assignment>
                <final_angle_assignment>
                    <type>MAXIMUM LIKELIHOOD</type>
                    <software_list>
                        <software>
                            <name>RELION</name>
                            <version>3.0</version>
                        </software>
                    </software_list>
                </final_angle_assignment>
                <final_three_d_classification>
                    <number_classes>3</number_classes>
                    <software_list>
                        <software>
                            <name>RELION</name>
                            <version>3.0</version>
                        </software>
                    </software_list>
                </final_three_d_classification>
            </singleparticle_processing>
        </structure_determination>
    </structure_determination_list>
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                <initial_model>
                    <access_code>5DOQ</access_code>
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                        <initial_model_type>experimental model</initial_model_type>
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                </initial_model>
                <refinement_protocol>AB INITIO MODEL</refinement_protocol>
                <refinement_space>REAL</refinement_space>
                <overall_bvalue>88.0</overall_bvalue>
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