Structure of PDB 8bwy Chain C Binding Site BS01

Receptor Information
>8bwy Chain C (length=4264) Species: 3055 (Chlamydomonas reinhardtii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKRIAWMKTTICDSLQLKDMIVEESFQYEKNKNLLEQFLSGEGLNKIFAY
YQVQEQAQNDDIKDTGAQDPVLFFTTGDLEKIQDKAVWFLRITNPADDKK
KASQQDGNDNDIIFGEITPNTVPMLNALMESVYSRQIDHIITEKIQFWGV
AEEEQVLEFQQHSNKFSSEVREANLMSPGTEHFKLDYEAISGLSESEKMQ
HYEMKFNEWINLISSQLNRKDEKDAGPATELIYWRSRMQKITNWSEQLKS
KDFQIVKASLQRHKNHDNQRPRGDESLNEAKDNVKYLTTLEKFIEPLYNG
TPQQIIDTLPALMNAIKMIHTIARFYNTTDKMTGLFIKITNQMIKNCKDR
ILNMIWEQDPAELIEVLGSCIKLYCEYKKCYNDTKEKVADMPKGKTFDFS
DAQIFGKFDTFVRRLQKLIEIFSNIQQFNALAKHNLEGMDVLTNKFKKII
DDFKKKGHNLLDTANNKFDRDWVEFNVEISHLDGELQNFIDNNFNRFRNI
EYSLKLLHKFQSTIKRDSLKHNLTSRYNAILHNYATELDTIQRVFQDQKS
NPPLVRNMPPEAGKIIWARHLFQKITGPINIFPENVINSTEIRRYYGSYN
TLGKQLTIYEMWFYQDWVNKIEQSKAALQATLIVRHDENKKLYVNFDLEI
MQLIREAKCLDRQGIEIPESARIILLQEDKFKTYYNELLYALKEYERINS
KIKPICKNLLLPHIEDLDLKLRPGMVTLTWTSMNIESYLYYVHQGLKKLE
QLIINVNDIIENRIENNLKTVSKVVLVHLPNVEVERAVDDLLQTIMLYPL
DPHVDPVLPEETKRIKRYYFWYFYQALLNSTQNSLNAMKYRVCGKKIPGA
NTLQNLKPFFQVEVQLNGDKVTLNPSLQEIQKSINRAATAVLRCSKHLYN
WDQQNKDSTDKATFYDMIACDKEIVKVILLLTGSIQGTKNKVNEFLSGFT
KFEWLCKESIQESIKKFSKNGPTLQNYEDQLKKFSQIEEEIEKIVPTYKI
GAMELMTHNICTSLSTWAKEWKLQYSQDLHKRARQLLDSLTEQTKMLSTK
LSKPVKDIDSLGYVMETLEQIRKEQAEIDMKFNPVQEMYSLLDNYLPGGI
TDKDEMDARSLLRRNWDILIQQAEIKGKEYQHKQAIYLKELKQSIKDFTN
QVSIFRRDYEKNGPMVEGISPAEAMERLRRFEDEYDVKYQMYKINARGEN
LFGMQFQFGIWGKRDVPCMLNGLIVGTILERLEEDQLQLSTFNSQRHVTP
FKAEVENLIRTFSDVNDTLDMWVKVQKLWTSLEPVFTGGDIARQMPLQAK
QFQGIDKNWMKIMEKAVETKKVIPCCQNDMLKDFLPDLNRKLEDCQKMLE
AYLEGKRKKFPRFYFVSNPTLLKILSQGSEPTSIQEDFEKLFDAITKVTF
ESAKDKKNPALKQITQIQQVIGRNEENISLTGYYVKCEGNIEDWLKKLEQ
NMQQTLKDIASAAAQQVFQVGLKEFVSSQASQIALLGLQILWTSKVNEGL
ERLSRNERNAMDIKRNEIKEHMNILSSMCLEDLNGAVERTKVETLVTIQV
HQKDISMDLKCKDVNDFEWQKQTRIAWKTDIDECIISITDWDSPYSYEFL
GAKERLCITPLTDRCYITLAQAMSMYYGGAPAGPAGTGKTETVKDLGRTL
GVFVVVTNCSDQHRYRDMAKIFKGLVQSGLWGCFDEFNRIDLEVLSVVAM
QVESITTARKQHMKKFMFPEEEIEIELIPTVSYFITMNPGYAGRQELPEN
LKVLFRGVSMMVPDREIIIKVKLASVGYLQIDLLAKKFNVLYRLCEEQLS
KQRHYDFGLRNILSVLRTAGNTKRQEIKSDEEMLLMRSLRDMNLSKLVAD
DIPLFNGLLADIFPKLKEVPKKLYPDVEKKIPEEINAESYLINTPSFQLK
IIQLYETCLVRHGFMLVGPTGSGKSTIMKILTEVLTKLGSPHKIVIMNPK
AITAEQMYGVKSEISDDWIPGVFSTIWAKSNNRALKHTTWITCDGPVDAI
WIENLNTVLDDNKILTLANGERIAMTENCKVVFEVENLNNASPATVSRCG
QVYVSPTDLGYEAVIEGWIRNRKASGRAEESDKLGNILRKYLINMRFIEL
QSKECKEPMMDTSPVISVINILNLLTGCLQYFVQTQRTLSEQEYEKFIVY
SMAWAIGGIYEAQDRVRFHELLLAKNAPIPQKGKENETVFDYYVSQDYLD
WKICSPEEWVPPQSLQFSQLLLPTLDSFRAEMLLNFILTQPKSHTCSNSA
LLIGGSGTAKTSSVLLYCNKFDPQKMLFKRTNFSSATSPFMFQSTIEAEC
DFKVGKEFAPPGNKMMTIFIDDMSMPFVNKWGDQITLELVRQLIETGGFY
MLDKTQRGNQRKMKNLQYIGAMNHPGGGRNDIPNRLKRQFFIFNMILPLS
IEGIYGPIIKHMFKQKYFSDSTYKVIESLTSATIALWNKVKSTMLPTPAK
FHYVFNMRELSRIFKGILTCKKDTINDAPKSMKIKPELFLVGLWRHEAER
VLADKLVNNKDKDTVMGYIQEVSLESFSQIENEILEKYSSEKTFLFCDFL
RPDVINEDGIIEEEAPKIYEAIDSLTELRKRCNFLLSFYNDRNPSKKMPL
VLFDDALKHLLRISRIIRQPRSSGLLVGVGGSGKQSLTRLAGFIGKNLIQ
QIIVTKTYSDKDLKEDIKKGFDDAGHLGKQVTFLMTDSEVKKEEFLEYIN
MVLSTGEIPNLLAKDEREVWLGDISQAYCKEKNLGNIDPPQSELWTYFVD
RVRDNFHIMLCFSPVGQKFRERARKFPALFNECTIDWFLPWPEEALVSVA
ETFIKNFDKLDTKEETKQELMKHMGNVHLMVNEICDEYYQKMRRQVYVTP
KSFLSYLNSYKTLYIEKYDELDQQEESFKIGLNKIQEATITINQMEISLK
EEEIQLNEATEKTNQLLANLDKESKKANQKGEEVAATNKQCEIQAEQISK
EKEEAERELEAALPALRRAQEAVDSIESKDIVELKANKKPLDIIKYIMDA
VLVFFKARLSYDESGIQTLGDMNFMKKLKEFEKDSINEETIELLEPYLNQ
SEFNDTFATKASKAAAGILKWAFAIYEYHQKSKIVKPKRIQVAIAEGRQA
IALKELEKAREDLAQIQAYIKNLKDVYTKQMEEKNELEMKAAKTKKKINT
ARTLITSLSGEKDRWGKGAQDISDQKRKLVGNVSLSTAFISYCGPFNAEY
RNKLAQQRFVVDMKKRGVPVTPGLELTSFLIDDATIGEWNLQGLPKDDLS
IQNGIMVTNSARYPLFIDPQGQGQNWIRNKLSAITTLSHPKFKDMFLKYC
MESGLTLIVENIENEVDPMMDPVLELSKEFKLFMTCRLANPSFSPELSAK
TTIIDFTVTQSGLEQQLLGKVISKEQKALEDSLNQLLADVNQNQKDLQRL
DKNLLERLINSQGNLLDDTELMDVLNNTKTQAKEVAAKLIDAEIKTKEIN
EKREQYRPVAIRGSAIYFTMIEVSLVNWMYNSSLEQFLKLFIESIDLSEK
AQLPSNRVKNIISFLTFHVYRYVNRGLFEKDKITFILMMAFKILTTAGTI
SSGDVSLFLKSQKQISYLEDNQWLNILALSKPFFKELPDLISRSENQWRN
WIDKNDPENFPIPDFAESINQEKEIGSFISLCLVRSLRNDRTLIATQNFI
SNVLGKEFTDPISYPIEGIWQESSNMDPVLFLLSAGADPTSSIDELAKKK
KKFPCEKVSMGEGQERVARQVIMKGFVEGGWVILQNCHLGLKFMEEIETL
VSPINQIHEDFRLWITCEQHPKFPLGLLQKTLKVTNEPPKGLKAGLYKTF
TTIITQEFIDKVDHSNWRSLIFTICFLHSIVIERKKFGPLGWCVPYEYNY
SDLEASLLYIEKYLTNLMSTPQPNSHNLPISMNVVRYMICEVQYGGRITD
DLDRELFITYGETYLKDGIFGNDYFFPQNPSAELIKYQEYIAKVPTVDNP
EVFGLHSNADLTFRLKESKEMINTVMETRPREEIVQDKAKDMLKNLPPDY
NDVEVRELVSKLGGPNPKTSTERGMTVPLNIFLYQEVTRMQRVIGLVRKT
LQDTILAIDGQIIMTPEILEAINAIYDAKVPNSWLYDPSGAEISWLLPNL
GSWSTSLSDRNKQLNDWLRSGQRPILFWLTGFFNPQGFLTGMKQEVTRNH
KKEAWSLDDVVYSTTVKEREKEPAEGVYIKGLYLEGCKWSKNGLDDSDPK
KIFADLPILHVSAINKSNTYLCPVYKYPKRTDKYLIFRVGLPCEGSNNPS
HWKLRGVALLCSTE
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain8bwy Chain C Residue 4701 [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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PDB8bwy ATP-induced conformational change of axonemal outer dynein arms revealed by cryo-electron tomography.
Resolution38.0 Å
Binding residue
(original residue number in PDB)		G2869 G2870 S2871 G2872 Q2874 S2875
Binding residue
(residue number reindexed from 1)		G2630 G2631 S2632 G2633 Q2635 S2636
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:0005737 cytoplasm
GO:0005856 cytoskeleton
GO:0005858 axonemal dynein complex
GO:0005874 microtubule
GO:0005929 cilium
GO:0030286 dynein complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8bwy, PDBe:8bwy, PDBj:8bwy
PDBsum8bwy
PubMed37051721
UniProtQ22A67

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