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Open data
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Basic information
Entry | ![]() | |||||||||
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Title | HTT in complex with HAP40 and a small molecule. | |||||||||
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Function / homology | ![]() vesicle cytoskeletal trafficking / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() | |||||||||
![]() | Poweleit N / Boudet J / Doherty E | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Discovery of a Small Molecule Ligand to the Huntingtin/HAP40 complex Authors: Poweleit N / Boudet J / Doherty E | |||||||||
History |
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Structure visualization
Supplemental images |
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Downloads & links
-EMDB archive
Map data | ![]() | 62.8 MB | ![]() | |
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Header (meta data) | ![]() ![]() | 19.9 KB 19.9 KB | Display Display | ![]() |
FSC (resolution estimation) | ![]() | 10.5 KB | Display | ![]() |
Images | ![]() | 157.3 KB | ||
Filedesc metadata | ![]() | 8.1 KB | ||
Others | ![]() ![]() | 116.2 MB 116.2 MB | ||
Archive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8vlxMC ![]() 8w15C M: atomic model generated by this map C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
EMDB pages | ![]() ![]() |
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Related items in Molecule of the Month |
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Map
File | ![]() | ||||||||||||||||||||
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Voxel size | X=Y=Z: 0.83 Å | ||||||||||||||||||||
Density |
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Symmetry | Space group: 1 | ||||||||||||||||||||
Details | EMDB XML:
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-Supplemental data
-Half map: #2
File | emd_43347_half_map_1.map | ||||||||||||
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Projections & Slices |
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Density Histograms |
-Half map: #1
File | emd_43347_half_map_2.map | ||||||||||||
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Projections & Slices |
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Density Histograms |
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Sample components
-Entire : HTT and HAP40 complex
Entire | Name: HTT and HAP40 complex |
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Components |
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-Supramolecule #1: HTT and HAP40 complex
Supramolecule | Name: HTT and HAP40 complex / type: complex / ID: 1 / Parent: 0 / Macromolecule list: #1-#2 |
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Source (natural) | Organism: ![]() ![]() |
-Macromolecule #1: Huntingtin
Macromolecule | Name: Huntingtin / type: protein_or_peptide / ID: 1 / Number of copies: 1 / Enantiomer: LEVO |
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Source (natural) | Organism: ![]() ![]() |
Molecular weight | Theoretical: 353.493656 KDa |
Recombinant expression | Organism: ![]() ![]() |
Sequence | String: MATLEKLMKA FESLKSFQQQ QQQQQQQQQQ QQQQQQQQQQ QQQQQQQQQQ QQQQQQQQQQ QQQQQPPPPP PPPPPPQLPQ PPPQAQPLL PQPQPPPPPP PPPPGPAVAE EPLHRPKKEL SATKKDRVNH CLTICENIVA QSVRNSPEFQ KLLGIAMELF L LCSDDAES ...String: MATLEKLMKA FESLKSFQQQ QQQQQQQQQQ QQQQQQQQQQ QQQQQQQQQQ QQQQQQQQQQ QQQQQPPPPP PPPPPPQLPQ PPPQAQPLL PQPQPPPPPP PPPPGPAVAE EPLHRPKKEL SATKKDRVNH CLTICENIVA QSVRNSPEFQ KLLGIAMELF L LCSDDAES DVRMVADECL NKVIKALMDS NLPRLQLELY KEIKKNGAPR SLRAALWRFA ELAHLVRPQK CRPYLVNLLP CL TRTSKRP EESVQETLAA AVPKIMASFG NFANDNEIKV LLKAFIANLK SSSPTIRRTA AGSAVSICQH SRRTQYFYSW LLN VLLGLL VPVEDEHSTL LILGVLLTLR YLVPLLQQQV KDTSLKGSFG VTRKEMEVSP SAEQLVQVYE LTLHHTQHQD HNVV TGALE LLQQLFRTPP PELLQTLTAV GGIGQLTAAK EESGGRSRSG SIVELIAGGG SSCSPVLSRK QKGKVLLGEE EALED DSES RSDVSSSALT ASVKDEISGE LAASSGVSTP GSAGHDIITE QPRSQHTLQA DSVDLASCDL TSSATDGDEE DILSHS SSQ VSAVPSDPAM DLNDGTQASS PISDSSQTTT EGPDSAVTPS DSSEIVLDGT DNQYLGLQIG QPQDEDEEAT GILPDEA SE AFRNSSMALQ QAHLLKNMSH CRQPSDSSVD KFVLRDEATE PGDQENKPCR IKGDIGQSTD DDSAPLVHCV RLLSASFL L TGGKNVLVPD RDVRVSVKAL ALSCVGAAVA LHPESFFSKL YKVPLDTTEY PEEQYVSDIL NYIDHGDPQV RGATAILCG TLICSILSRS RFHVGDWMGT IRTLTGNTFS LADCIPLLRK TLKDESSVTC KLACTAVRNC VMSLCSSSYS ELGLQLIIDV LTLRNSSYW LVRTELLETL AEIDFRLVSF LEAKAENLHR GAHHYTGLLK LQERVLNNVV IHLLGDEDPR VRHVAAASLI R LVPKLFYK CDQGQADPVV AVARDQSSVY LKLLMHETQP PSHFSVSTIT RIYRGYNLLP SITDVTMENN LSRVIAAVSH EL ITSTTRA LTFGCCEALC LLSTAFPVCI WSLGWHCGVP PLSASDESRK SCTVGMATMI LTLLSSAWFP LDLSAHQDAL ILA GNLLAA SAPKSLRSSW ASEEEANPAA TKQEEVWPAL GDRALVPMVE QLFSHLLKVI NICAHVLDDV APGPAIKAAL PSLT NPPSL SPIRRKGKEK EPGEQASVPL SPKKGSEASA ASRQSDTSGP VTTSKSSSLG SFYHLPSYLK LHDVLKATHA NYKVT LDLQ NSTEKFGGFL RSALDVLSQI LELATLQDIG KCVEEILGYL KSCFSREPMM ATVCVQQLLK TLFGTNLASQ FDGLSS NPS KSQGRAQRLG SSSVRPGLYH YCFMAPYTHF TQALADASLR NMVQAEQEND TSGWFDVLQK VSTQLKTNLT SVTKNRA DK NAIHNHIRLF EPLVIKALKQ YTTTTCVQLQ KQVLDLLAQL VQLRVNYCLL DSDQVFIGFV LKQFEYIEVG QFRESEAI I PNIFFFLVLL SYERYHSKQI IGIPKIIQLC DGIMASGRKA VTHAIPALQP IVHDLFVLRG TNKADAGKEL ETQKEVVVS MLLRLIQYHQ VLEMFILVLQ QCHKENEDKW KRLSRQIADI ILPMLAKQQM HIDSHEALGV LNTLFEILAP SSLRPVDMLL RSMFVTPNT MASVSTVQLW ISGILAILRV LISQSTEDIV LSRIQELSFS PYLISCTVIN RLRDGDSTST LEEHSEGKQI K NLPEETFS RFLLQLVGIL LEDIVTKQLK VEMSEQQHTF YCQELGTLLM CLIHIFKSGM FRRITAAATR LFRSDGCGGS FY TLDSLNL RARSMITTHP ALVLLWCQIL LLVNHTDYRW WAEVQQTPKR HSLSSTKLLS PQMSGEEEDS DLAAKLGMCN REI VRRGAL ILFCDYVCQN LHDSEHLTWL IVNHIQDLIS LSHEPPVQDF ISAVHRNSAA SGLFIQAIQS RCENLSTPTM LKKT LQCLE GIHLSQSGAV LTLYVDRLLC TPFRVLARMV DILACRRVEM LLAANLQSSM AQLPMEELNR IQEYLQSSGL AQRHQ RLYS LLDRFRLSTM QDSLSPSPPV SSHPLDGDGH VSLETVSPDK DWYVHLVKSQ CWTRSDSALL EGAELVNRIP AEDMNA FMM NSEFNLSLLA PCLSLGMSEI SGGQKSALFE AAREVTLARV SGTVQQLPAV HHVFQPELPA EPAAYWSKLN DLFGDAA LY QSLPTLARAL AQYLVVVSKL PSHLHLPPEK EKDIVKFVVA TLEALSWHLI HEQIPLSLDL QAGLDCCCLA LQLPGLWS V VSSTEFVTHA CSLIYCVHFI LEAVAVQPGE QLLSPERRTN TPKAISEEEE EVDPNTQNPK YITAACEMVA EMVESLQSV LALGHKRNSG VPAFLTPLLR NIIISLARLP LVNSYTRVPP LVWKLGWSPK PGGDFGTAFP EIPVEFLQEK EVFKEFIYRI NTLGWTSRT QFEETWATLL GVLVTQPLVM EQEESPPEED TERTQINVLA VQAITSLVLS AMTVPVAGNP AVSCLEQQPR N KPLKALDT RFGRKLSIIR GIVEQEIQAM VSKRENIATH HLYQAWDPVP SLSPATTGAL ISHEKLLLQI NPERELGSMS YK LGQVSIH SVWLGNSITP LREEEWDEEE EEEADAPAPS SPPTSPVNSR KHRAGVDIHS CSQFLLELYS RWILPSSSAR RTP AILISE VVRSLLVVSD LFTERNQFEL MYVTLTELRR VHPSEDEILA QYLVPATCKA AAVLGMDKAV AEPVSRLLES TLRS SHLPS RVGALHGVLY VLECDLLDDT AKQLIPVISD YLLSNLKGIA HCVNIHSQQH VLVMCATAFY LIENYPLDVG PEFSA SIIQ MCGVMLSGSE ESTPSIIYHC ALRGLERLLL SEQLSRLDAE SLVKLSVDRV NVHSPHRAMA ALGLMLTCMY TGKEKV SPG RTSDPNPAAP DSESVIVAME RVSVLFDRIR KGFPCEARVV ARILPQFLDD FFPPQDIMNK VIGEFLSNQQ PYPQFMA TV VYKVFQTLHS TGQSSMVRDW VMLSLSNFTQ RAPVAMATWS LSCFFVSAST SPWVAAILPH VISRMGKLEQ VDVNLFCL V ATDFYRHQIE EELDRRAFQS VLEVVAAPGS PYHRLLTCLR NVHKVTTCAA AENLYFQGDY KDDDDK UniProtKB: ![]() |
-Macromolecule #2: 40-kDa huntingtin-associated protein
Macromolecule | Name: 40-kDa huntingtin-associated protein / type: protein_or_peptide / ID: 2 / Number of copies: 1 / Enantiomer: LEVO |
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Source (natural) | Organism: ![]() ![]() |
Molecular weight | Theoretical: 41.342254 KDa |
Recombinant expression | Organism: ![]() ![]() |
Sequence | String: MHHHHHHSSG RENLYFQGMA AAAAGLGGGG AGPGPEAGDF LARYRLVSNK LKKRFLRKPN VAEAGEQFGQ LGRELRAQEC LPYAAWCQL AVARCQQALF HGPGEALALT EAARLFLRQE RDARQRLVCP AAYGEPLQAA ASALGAAVRL HLELGQPAAA A ALCLELAA ...String: MHHHHHHSSG RENLYFQGMA AAAAGLGGGG AGPGPEAGDF LARYRLVSNK LKKRFLRKPN VAEAGEQFGQ LGRELRAQEC LPYAAWCQL AVARCQQALF HGPGEALALT EAARLFLRQE RDARQRLVCP AAYGEPLQAA ASALGAAVRL HLELGQPAAA A ALCLELAA ALRDLGQPAA AAGHFQRAAQ LQLPQLPLAA LQALGEAASC QLLARDYTGA LAVFTRMQRL AREHGSHPVQ SL PPPPPPA PQPGPGATPA LPAALLPPNS GSAAPSPAAL GAFSDVLVRC EVSRVLLLLL LQPPPAKLLP EHAQTLEKYS WEA FDSHGQ ESSGQLPEEL FLLLQSLVMA THEKDTEAIK SLQVEMWPLL TAEQNHLLHL VLQETISPSG QGV UniProtKB: 40-kDa huntingtin-associated protein |
-Macromolecule #3: N-[(1S,2R)-2-benzylcyclopentyl]-N'-{1-[(1S)-1-(pyridin-4-yl)ethyl...
Macromolecule | Name: N-[(1S,2R)-2-benzylcyclopentyl]-N'-{1-[(1S)-1-(pyridin-4-yl)ethyl]piperidin-4-yl}urea type: ligand / ID: 3 / Number of copies: 1 / Formula: A1ACS |
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Molecular weight | Theoretical: 406.564 Da |
-Experimental details
-Structure determination
Method | ![]() |
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Aggregation state | particle |
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Sample preparation
Buffer | pH: 7.4 Details: 25 mM Hepes, 300 mM NaCl, 0.025%CHAPS, 1mM DTT, 1mM Ligand, 1% DMSO |
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Grid | Model: UltrAuFoil R1.2/1.3 / Material: GRAPHENE OXIDE / Mesh: 300 / Support film - Material: GRAPHENE OXIDE / Support film - topology: CONTINUOUS |
Vitrification | Cryogen name: ETHANE / Chamber humidity: 95 % / Chamber temperature: 4 K / Instrument: FEI VITROBOT MARK IV |
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Electron microscopy
Microscope | FEI TITAN KRIOS |
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Electron beam | Acceleration voltage: 300 kV / Electron source: ![]() |
Electron optics | Illumination mode: FLOOD BEAM / Imaging mode: BRIGHT FIELD![]() |
Sample stage | Specimen holder model: FEI TITAN KRIOS AUTOGRID HOLDER / Cooling holder cryogen: NITROGEN |
Image recording | Film or detector model: GATAN K3 BIOQUANTUM (6k x 4k) / Number grids imaged: 1 / Number real images: 6788 / Average exposure time: 1.4 sec. / Average electron dose: 50.48 e/Å2 |
Experimental equipment | ![]() Model: Titan Krios / Image courtesy: FEI Company |
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Image processing
-Atomic model buiding 1
Initial model | Chain - Source name: AlphaFold / Chain - Initial model type: in silico model |
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Refinement | Space: REAL / Protocol: FLEXIBLE FIT |
Output model | ![]() PDB-8vlx: |