Structure of PDB 8dyu Chain A Binding Site BS02

Receptor Information
>8dyu Chain A (length=2562) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHFKKMFAGVSSILGISSREGEEVMFKTPLVEKEMRVTLAKLLAESVTEV
EIFGKATSIDPNTYITWIDKYQAQLVVLSAQIAWSENVETALSSAAPLHS
VLSNVEVTLNVLADSVLMEQPPLRRRKLEHLITELVHQRDVTRSLIKSKI
DNAKSFEWLSQMRFYFDPKQTDVLQQLSIQMANAKFNYGFEYLGVQDKLV
QTPLTDRCYLTMTQALEARLGGSPFGPAGTGKTESVKALGHQLGRFVLVF
NCDETFDFQAMGRIFVGLCQVGAWGCFDEFNRLEERMLSAVSQQVQCIQE
ALREHSNITCELLNKQVKVSPDMAIFITMNPGYAGRSNLPDNLKKLFRSL
AMTKPDRQLIAQVMLYSQGFRTAEVLANKIVPFFKLCDEQLSSQSHYDFG
LRALKSVLVSAGNVKRERIQKIAENLPEQEILIQSVCETMVPKLVAEDIP
LLFSLLSDVFPGVQYHRGEMTALREELKKVCQEMYLTYGDGEEVGGMWVE
KVLQLYQITQINHGLMMVGPSGSGKSMAWRVLLKALERLEGVEGVAHIID
PKAISKDHLYGTLDPNTREWTDGLFTHVLRKIIDSVRGELQKRQWIVFDG
DVDPEWVENLNSVLDDNKLLTLPNGERLSLPPNVRIMFEVQDLKYATLAT
VSRCGMVWFSEDVLSTDMIFNNFLARLRSIPLDEASPMLQIQRDAATIMQ
PYFTSNGLVTKALEHAFQLEHIMDLTRLRCLGSLFSMLHQACRNVAQYNA
NHPDFPMQIEQLERYIQRYLVYAILWSLSGDSRLKMRAELGEYIRRITTV
PLPTAPNIPIIDYEVSISGEWSPWQAKVPQIEVETHKVAAPDVVVPTLDT
VRHEALLYTWLAEHKPLVLCGPPGSGKTMTLFSALRALPDMEVVGLNFSS
ATTPELLLKTFDHYCEYRRTPNGVVLAPVQLGKWLVLFCDEINLPDMDKY
GTQRVISFIRQMVEHGGFYRTSDQTWVKLERIQFVGACNPPTDPGRKPLS
HRFLRHVPVVYVDYPGPASLTQIYGTFNRAMLRLIPSLRTYAEPLTAAMV
EFYTMSQERFTQDTQPHYIYSPREMTRWVRGIFEALRPLETLPVEGLIRI
WAHEALRLFQDRLVEDEERRWTDENIDTVALKHFPKAMSRPILYSNWLSK
DYIPVDQEELRDYVKARLKVFYEEELDVPLVLFNEVLDHVLRIDRIFRQP
QGHLLLIGVSGAGKTTLSRFVAWMNGLSVYQIKVHRKYTGEDFDEDLRTV
LRRSGCKNEKIAFIMDESNVLDSGFLERMNTLLANGEVPGLFEGDEYATL
MTQCKEGAQKEGLMLDSHEELYKWFTSQVIRNLHVVFTMNPSSEGLKDRA
ATSPALFNRCVLNWFGDWSTEALYQVGKEFTSKMDLEKPNYIVPDYMPVV
YDKLPQPPSHREAIVNSCVFVHQTLHQANARLAKRGGRTMAITPRHYLDF
INHYANLFHEKRSELEEQQMHLNVGLRKIKETVDQNRSTALLKSLSAERE
RWEKTSETFKNQMSTIAGDCLLSAAFIAYAGYFDQQMRQNLFTTWSHHLQ
QANIQFRTDIARTEYLSNADERLRWQASSLPADDLCTENAIMLKRFNRYP
LIIDPSGQATEFIMNEYKDRKITRTSFLDDAFRKNLESALRFGNPLLVQD
VESYDPVLNPVLNREVRRTGGRVLITLGDQDIDLSPSFVIFLSTRDPTVE
FPPDLCSRVTFVNFTVTRSSLQSQCLNEVLKAERPDVDEKRSDLLKLQGE
FQLRLRQLEKSLLQALNEVKGRILDDDTIITTLENLKREAAEVTRKVEET
DIVMQEVETVSQQYLPLSTACSSIYFTMESLKQIHFLYQYSLQFFLDIYH
NVLYENPNVTDHTQRLSIITKDLFQVAFNRVARGMLHQDHITFAMLLARI
KLTYDAEFQHFLRGNGLTVEQAEAVVRLSCLPAFKDLIAKVQADEQFGIW
LDSSSPEQTVPYLWTPATPIGQAIHRLLLIQAFRPDRLLAMAHMFVSTNL
GESFMSIMEQPLDLTHIVGTEVKPNTPVLMCSVPGYDASGHVEDLAAEQN
TQITSIAIGSAEGFNQADKAINTAVKSGRWVMLKNVHLAPGWLMQLEKKL
HSLQPHACFRLFLTMEINPKVPVNLLRAGRIFVFEPPPGVKANMLRTFSS
IPVSRICKSPNERARLYFLLAWFHAIIQERLRYAPLGWSKKYEFGESDLR
SACDTVDTWLDDTAKGRQNISPDKIPWSALKTLMAQSIYGGRVDNEFDQR
LLNTFLERLFTTRSFDSEFKLACDIQMPDGIRREEFVQWVELLPDTQTPS
WLGLPNNAERVLLTTQGVDMISKMLKMQTLHTTASNWLHLIPQTLSHLKR
IKDPLFRFFEREVKMGAKLLQDVRQDLADVVQVCEGKKKQTNYLRTLINE
LVKGILPRSWSHYTVPAGMTVIQWVSDFSERIKQLQNISLAAASKELKNI
HVCLGGLFVPEAYITATRQYVAQANSWSLEELCLEVNVFGVTGLKLQGAT
CNNNKLSLLPLTQLRWVKQSVVTLPVYLNFTRADLIFTVDFEIATKEDPR
SFYERGVAVLCT
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 chain8dyu Chain A 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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PDB8dyu Structures of human dynein in complex with the lissencephaly 1 protein, LIS1.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		L2191 W2203 S2226 G2227 G2229 K2230 S2231 M2232 L2369 M2373 I2374 R2726 R2729
Binding residue
(residue number reindexed from 1)		L486 W498 S521 G522 G524 K525 S526 M527 L664 M668 I669 R1002 R1005
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
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
Cellular Component
GO:0030286 dynein complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8dyu, PDBe:8dyu, PDBj:8dyu
PDBsum8dyu
PubMed36692009
UniProtQ14204|DYHC1_HUMAN Cytoplasmic dynein 1 heavy chain 1 (Gene Name=DYNC1H1)

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