Structure of PDB 8bwy Chain C Binding Site BS04

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 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 chain8bwy Chain C Residue 4704 [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)		L2130 I2131 G2162 K2163 S2164
Binding residue
(residue number reindexed from 1)		L1891 I1892 G1923 K1924 S1925
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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