Structure of PDB 7z8f Chain e Binding Site BS02

Receptor Information
>7z8f Chain e (length=4579) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVQNVADVSVLQKHLRKLVPLLLEDGGEAPAALEAALEEKSALEQMRKFL
SDPQVHTVLVERSTLKEDVGDEGEEEKEFISYNINIDIHYGVKSNSLAFI
KRTPVIDADKPVSSQLRVLTLSEDSPYETLHSFISNAVAPFFKSYIRESG
KADRDGDKMAPSVEKKIAELEMGLLHLQQNIEIPEISLPIHPMITNVAKQ
CYERGEKPKVTDFGDKVEDPTFLNQLQSGVNRWIREIQKVTKLDRDPASG
TALQEISFWLNLERALYRIQEKRESPEVLLTLDILKHGKRFHATVSFDTD
TGLKQALETVNDYNPLMKDFPLNDLLSATELDKIRQALVAIFTHLRKIRN
TKYPIQRALRLVEAISRDLSSQLLKVLGTRKLMHVAYEEFEKVMVACFEV
FQTWDDEYEKLQVLLRDIVKRKREENLKMVWRINPAHRKLQARLDQMRKF
RRQHEQLRAVIVRVLRPQVFDAADANAIEEVNLAYENVKEVDGLDVSKEG
TEAWEAAMKRYDERIDRVETRITARLRDQLGTAKNANEMFRIFSRFNALF
VRPHIRGAIREYQTQLIQRVKDDIESLHDKFKVQYPQSQACKMSHVRDLP
PVSGSIIWAKQIDRQLTAYMKRVEDVLGKGWENHVEGQKLKQDGDSFRMK
LNTQEIFDDWARKVQQRNLGVSGRIFTIESTRVRGRTGNVLKLKVNFLPE
IITLSKEVRNLKWLGFRVPLAIVNKAHQANQLYPFAISLIESVRTYERTC
EKVEERNTISLLVAGLKKEVQALIAEGIALVWESYKLDPYVQRLAETVFN
FQEKVDDLLIIEEKIDLEVRSLETCMYDHKTFSEILNRVQKAVDDLNLHS
YSNLPIWVNKLDMEIERILGVRLQAGLRAWTQVLLGQAEDKAEVDMDTDA
PQVSHKPGGEPKIKNVVHELRITNQVIYLNPPIEECRYKLYQEMFAWKMV
VLSLPRIQSQRYQVGVHYELTEEEKFYRNALTRMPDGPVALEESYSAVMG
IVSEVEQYVKVWLQYQCLWDMQAENIYNRLGEDLNKWQALLVQIRKARGT
FDNAETKKEFGPVVIDYGKVQSKVNLKYDSWHKEVLSKFGQMLGSNMTEF
HSQISKSRQELEQHSVDTASTSDAVTFITYVQSLKRKIKQFEKQVELYRN
GQRLLEKQRFQFPPSWLYIDNIEGEWGAFNDIMRRKDSAIQQQVANLQMK
IVQEDRAVESRTTDLLTDWEKTKPVTGNLRPEEALQALTIYEGKFGRLKD
DREKCAKAKEALELTDTGLLSGSEERVQVALEELQDLKGVWSELSKVWEQ
IDQMKEQPWVSVQPRKLRQNLDALLNQLKSFPARLRQYASYEFVQRLLKG
YMKINMLVIELKSEALKDRHWKQLMKRLHVNWVVSELTLGQIWDVDLQKN
EAIVKDVLLVAQGEMALEEFLKQIREVWNTYELDLVNYQNKCRLIRGWDD
LFNKVKEHINSVSAMKLSPYYKVFEEDALSWEDKLNRIMALFDVWIDVQR
RWVYLEGIFTGSADIKHLLPVETQEFQSISTEFLALMKKVSKSPLVMDVL
NIQGVQRSLERLADLLGEIQKALGEYLERERSSFPRFYFVGDEDLLEIIG
NSKNVAKLQKHFKKMFAGVSSIILNEDNSVVLGISSREGEEVMFKTPVSI
TEHPKINEWLTLVEKEMRVTLAKLLAESVTEVEIFGKATSIDPNTYITWI
DKYQAQLVVLSAQIAWSENVETALSSMGGGGDAAPLHSVLSNVEVTLNVL
ADSVLMEQPPLRRRKLEHLITELVHQRDVTRSLIKSKIDNAKSFEWLSQM
RFYFDPKQTDVLQQLSIQMANAKFNYGFEYLGVQDKLVQTPLTDRCYLTM
TQALEARLGGSPFGPAGTGKTESVKALGHQLGRFVLVFNCDETFDFQAMG
RIFVGLCQVGAWGCFDEFNRLEERMLSAVSQQVQCIQEALREHSNPNYDK
TSAPITCELLNKQVKVSPDMAIFITMNPGSNLPDNLKKLFRSLAMTKPDR
QLIAQVMLYSQGFRTAEVLANKIVPFFKLCDEQLSSQSHYDFGLRALKSV
LVSAGNVKRERIQKIKREKEERGEAVDEGEIAENLPEQEILIQSVCETMV
PKLVAEDIPLLFSLLSDVFPGVQYHRGEMTALREELKKVCQEMYLTYGDG
EEVGGMWVEKVLQLYQITQINHGLMMVGPSGSGKSMAWRVLLKALERLEG
VEGVAHIIDPKAISKDHLYGTLDPNTREWTDGLFTHVLRKIIDSVRGELQ
KRQWIVFDGDVDPEWVENLNSVLDDNKLLTLPNGERLSLPPNVRIMFEVQ
DLKYATLATVSRCGMVWFSEDVLSTDMIFNNFLARLRSIPLDEGEDEAQR
RRKGKEDEGEEAASPMLQIQRDAATIMQPYFTSNGLVTKALEHAFQLEHI
MDLTRLRCLGSLFSMLHQACRNVAQYNANHPDFPMQIEQLERYIQRYLVY
AILWSLSGDSRLKMRAELGEYIRRITTVPLPTAPNIPIIDYEVSISGEWS
PWQAKVPQIEVETHKVAAPDVVVPTLDTVRHEALLYTWLAEHKPLVLCGP
PGSGKTMTLFSALRALPDMEVVGLNFSSATTPELLLKTFDHYCEYRRTPN
GVVLAPVQLGKWLVLFCDEINLPDMDKYGTQRVISFIRQMVEHGGFYRTS
DQTWVKLERIQFVGACNPPTDPGRKPLSHRFLRHVPVVYVDYPGPASLTQ
IYGTFNRAMLRLIPSLRTYAEPLTAAMVEFYTMSQERFTQDTQPHYIYSP
REMTRWVRGIFEALRPLETLPVEGLIRIWAHEALRLFQDRLVEDEERRWT
DENIDTVALKHFPNIDREKAMSRPILYSNWLSKDYIPVDQEELRDYVKAR
LKVFYEEELDVPLVLFNEVLDHVLRIDRIFRQPQGHLLLIGVSGAGKTTL
SRFVAWMNGLSVYQIKVHRKYTGEDFDEDLRTVLRRSGCKNEKIAFIMDE
SNVLDSGFLERMNTLLANGEVPGLFEGDEYATLMTQCKEGAQKEGLMLDS
HEELYKWFTSQVIRNLHVVFTMNPSSEGLKDRAATSPALFNRCVLNWFGD
WSTEALYQVGKEFTSKMDLEKPNYIVPDYMPVVYDKLPQPPSHREAIVNS
CVFVHQTLHQANARLAKRGGRTMAITPRHYLDFINHYANLFHEKRSELEE
QQMHLNVGLRKIKETVDQVEELRRDLRIKSQELEVKNAAANDKLKKMVKD
QQEAEKKKVMSQEIQEQLHKQQEVIADKQMSVKEDLDKVEPAVIEAQNAV
KSIKKQHLVEVRSMANPPAAVKLALESICLLLGESTTDWKQIRSIIMREN
FIPTIVNFSAEEISDAIREKMKKNYMSNPSYNYEIVNRASLACGPMVKWA
IAQLNYADMLKRVEPLRNELQKLEDDAKDNQQKANEVEQMIRDLEASIAR
YKEEYAVLISEAQAIKADLAAVEAKVNRSTALLKSLSAERERWEKTSETF
KNQMSTIAGDCLLSAAFIAYAGYFDQQMRQNLFTTWSHHLQQANIQFRTD
IARTEYLSNADERLRWQASSLPADDLCTENAIMLKRFNRYPLIIDPSGQA
TEFIMNEYKDRKITRTSFLDDAFRKNLESALRFGNPLLVQDVESYDPVLN
PVLNREVRRTGGRVLITLGDQDIDLSPSFVIFLSTRDPTVEFPPDLCSRV
TFVNFTVTRSSLQSQCLNEVLKAERPDVDEKRSDLLKLQGEFQLRLRQLE
KSLLQALNEVKGRILDDDTIITTLENLKREAAEVTRKVEETDIVMQEVET
VSQQYLPLSTACSSIYFTMESLKQIHFLYQYSLQFFLDIYHNVLYENPNL
KGVTDHTQRLSIITKDLFQVAFNRVARGMLHQDHITFAMLLARIKLKGTV
GEPTYDAEFQHFLRGNEIVLSAGSTPRIQGLTVEQAEAVVRLSCLPAFKD
LIAKVQADEQFGIWLDSSSPEQTVPYLWSEETPATPIGQAIHRLLLIQAF
RPDRLLAMAHMFVSTNLGESFMSIMEQPLDLTHIVGTEVKPNTPVLMCSV
PGYDASGHVEDLAAEQNTQITSIAIGSAEGFNQADKAINTAVKSGRWVML
KNVHLAPGWLMQLEKKLHSLQPHACFRLFLTMEINPKVPVNLLRAGRIFV
FEPPPGVKANMLRTFSSIPVSRICKSPNERARLYFLLAWFHAIIQERLRY
APLGWSKKYEFGESDLRSACDTVDTWLDDTAKGRQNISPDKIPWSALKTL
MAQSIYGGRVDNEFDQRLLNTFLERLFTTRSFDSEFKLACKVDGHKDIQM
PDGIRREEFVQWVELLPDTQTPSWLGLPNNAERVLLTTQGVDMISKMLKM
QMLEDEDAWMRTLHTTASNWLHLIPQTLSHLKRTVENIKDPLFRFFEREV
KMGAKLLQDVRQDLADVVQVCEGKKKQTNYLRTLINELVKGILPRSWSHY
TVPAGMTVIQWVSDFSERIKQLQNISLAAASGGAKELKNIHVCLGGLFVP
EAYITATRQYVAQANSWSLEELCLEVNVTTSQGATLDACSFGVTGLKLQG
ATCNNNKLSLSNAISTALPLTQLRWVKQTNTEKKASVVTLPVYLNFTRAD
LIFTVDFEIATKEDPRSFYERGVAVLCTE
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain7z8f Chain e Residue 4702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7z8f Structure of dynein-dynactin on microtubules shows tandem adaptor binding.
Resolution20.0 Å
Binding residue
(original residue number in PDB)		G2227 G2229 S2231 M2232
Binding residue
(residue number reindexed from 1)		G2181 G2183 S2185 M2186
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008569 minus-end-directed microtubule motor activity
GO:0016887 ATP hydrolysis activity
GO:0045505 dynein intermediate chain binding
GO:0051959 dynein light intermediate chain binding
Biological Process
GO:0007018 microtubule-based movement
GO:0007052 mitotic spindle organization
GO:0007097 nuclear migration
GO:0008090 retrograde axonal transport
GO:0031122 cytoplasmic microtubule organization
GO:0032388 positive regulation of intracellular transport
GO:0033962 P-body assembly
GO:0034063 stress granule assembly
GO:0051293 establishment of spindle localization
GO:0051301 cell division
GO:0060236 regulation of mitotic spindle organization
GO:0090235 regulation of metaphase plate congression
GO:0120162 positive regulation of cold-induced thermogenesis
GO:1905832 positive regulation of spindle assembly
Cellular Component
GO:0005576 extracellular region
GO:0005737 cytoplasm
GO:0005813 centrosome
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005868 cytoplasmic dynein complex
GO:0005874 microtubule
GO:0005881 cytoplasmic microtubule
GO:0005938 cell cortex
GO:0016020 membrane
GO:0030175 filopodium
GO:0030286 dynein complex
GO:0035578 azurophil granule lumen
GO:0070062 extracellular exosome
GO:1904115 axon cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7z8f, PDBe:7z8f, PDBj:7z8f
PDBsum7z8f
PubMed36071160
UniProtQ14204|DYHC1_HUMAN Cytoplasmic dynein 1 heavy chain 1 (Gene Name=DYNC1H1)

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