Structure of PDB 7k5b Chain A Binding Site BS01

Receptor Information
>7k5b Chain A (length=4453) Species: 5911 (Tetrahymena thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYSKRIAWMKTTICDSLQLKDMIVEESFQYEKNKNLLEQFLSGEGLNKIF
AYYQVQEQAQNTTGDLEKIQDKAVWFLRITNPADDKKKASQQDGNDNDII
FGEITPNTVPMLNALMESVYSRQIDHIITEKIQFWGVAEEEQVLEFQQHS
NKFSSEVREAINLDYEAISGLSESEKMQHYEMKFNEWINLISSQLRKDEK
DAGPATELIYWRSRMQKITNWSEQLKSKDFQIVKASLQRHKNHDNQRPRG
DESKLNEAKDNVKYLTTLEKFIPLYNGTPQQIIDTLPALMNAIKMIHTTT
DKMTGLFIKITNQMIKNCKDRILNKMIWEQDPAELIEVLGSCIKLYCEYK
KCYNDTKEKVADMPKGKTSDAQIFGKFDTFVRRLQKLIEIFSNIQQFNAL
LEGMDVLTNKFKKIIDDFKKKGHNLLDTANNKFDRDWVEFNVEISHLDGE
LQNFIDNNFNRFRYSLKLLHKFQSTIKRHNLTSRYNAILHNYATELDTIQ
RVFQDQKSNPPLVRNMPPEAGKIIWARHLFQKITGPINIFPTEIRRYYGS
YNTLGKQLTIYEMWFYQDWVNKIEQSKAALQATLIVRHDENKKLYVNFDL
EIMQLIREAKCLDRQGIEIPESARIILLQEDKFKTYYNELLYALKEYERI
NSKIKPICKNLLLPHIEDLDLKLRPGMVTLTWTSMNIESYLYYVHQGLKK
LEQLIINVNDIIENRIENNLKTVSKVVLVHLPLDSFVQLQEEYINSKTDF
LTSKNVEVERAVDDLLQTIMLYPLDPHVDPVLPEETKRIKRYYFWYFYQA
LLNSTQNSLNAMKYRVFFQVEVQLNGDKVTLNLQEIQKSINRAATAVLRC
SKHLYNWDQATFYDMIACDKEIVKVILLLTGSIQGTKNKVNEFLSGFTKF
EWLCKESIQESIKKFSKNGPTLQNYEDQLKKFSQIEEEIEKIVPTYKIGA
MELMTHNICTSLSTWAKEWKLQYSQDLHKRARQLLDSLTEQTKMLSTKLS
KPVKDIDSLGYVMETLEQIRKEQAEIDMKFNPVQEMYSLLDNYLPGGITD
KDEMDARSLLRRNWDILIQQAEIKGKEYQHKQAIYLKELKQSIKDFTNQV
SIFRRDYEKNGPMERLRRFEDEYDVKYQMYKINARGENLFGLQNQKYPEL
EKTDAEIKNLNKLYNLYDSVIKNIQQFKEKSWQDVSLAKMEEDAGKYGEQ
CSRLPKDLKEWQAYRDLKNYIDSLREQLPLIIPRHWEKIKEITNTKLNYE
NPDQFYIEEIMGAKLDFREDIEDITESADKQLKIRTGLDEINLYWNDMQF
QFGIWGKRMLNGLIVGTILERLEEDQLQLSTFNSQRHVTPFKAEVENLIR
TFSDVNDTLDMWVKVQKLWTSLEPVFTGGDIARQMPLQAKQFQGIDKNWM
KIMEKAVETKKVIPCCQNDMLKDFLPDLNRKLEDCQKMLEAYLEGKRKKF
PRFYFVSNPTLLKILSQGSEPTSIQEDFEKLFDAITKVTFESAKDKKNPA
LKQITQIQQVIGRNEENISLTGYYVKCEGNIEDWLKKLEQNMQQTLKDIA
SAAAQQVFQVGLKEFVSSQASQIALLGLQILWTSKVNEGLERLSRNERNA
MDIKRNEIKEHMNILSSMCLEDLNGAVERTKVETLVTIQVHQKDISMDLK
CKDVNDFEWQKQTRIAWKTDIDECIISITDWDSPYSYEFLGAKERLCITP
LTDRCYITLAQAMSMYYGGAPAGPAGTGKTETVKDLGRTLGVFVVVTNCS
DQHRYRDMAKIFKGLVQSGLWGCFDEFNRIDLEVLSVVAMQVESITTARK
QHMKKFMFPEEEIEIELIPTVSYFITMNPGYAGRQELPENLKVLFRGVSM
MVPDREIIIKVKLASVGYLQIDLLAKKFNVLYRLCEEQLSKQRHYDFGLR
NILSVLRTAGNTKRQEIKSDEEMLLMRSLRDMNLSKLVADDIPLFNGLLA
DIFPKLKEVPKKLYPDVEKKIPEEINAESYLINTPSFQLKIIQLYETCLV
RHGFMLVGPTGSGKSTIMKILTEVLTKLGSPHKIVIMNPKAITAEQMYGV
KSEISDDWIPGVFSTIWAKSNNRALKHTTWITCDGPVDAIWIENLNTVLD
DNKILTLANGERIAMTENCKVVFEVENLNNASPATVSRCGQVYVSPTDLG
YEAVIEGWIRNRKASGRAEESDKLGNILRKYLINMRFIELQSKECKEPMM
DTSPVISVINILNLLTGCLQYFVQTQRTLSEQEYEKFIVYSMAWAIGGIY
EAQDRVRFHELLLAKNAPIPQKGKENETVFDYYVSQDYLDWKICSPEEWV
PPQSLQFSQLLLPTLDSFRAEMLLNFILTQPKSHTCSNSALLIGGSGTAK
TSSVLLYCNKFDPQKMLFKRTNFSSATSPFMFQSTIEAECDFKVGKEFAP
PGNKMMTIFIDDMSMPFVNKWGDQITLELVRQLIETGGFYMLDKTQRGNQ
RKMKNLQYIGAMNHPGGGRNDIPNRLKRQFFIFNMILPLSIEGIYGPIIK
HMFKQKYFSDSTYKVIESLTSATIALWNKVKSTMLPTPAKFHYVFNMREL
SRIFKGILTCKKDTINDAPKSMKIKPELFLVGLWRHEAERVLADKLVNNK
DKDTVMGYIQEVSLESFSQIENEILEKYSSEKTFLFCDFLRPDVINEDGI
IEEEAPKIYEAIDSLTELRKRCNFLLSFYNDRNPSKKMPLVLFDDALKHL
LRISRIIRQPRSSGLLVGVGGSGKQSLTRLAGFIGKNLIQQIIVTKTYSD
KDLKEDIKKGFDDAGHLGKQVTFLMTDSEVKKEEFLEYINMVLSTGEIPN
LLAKDEREVWLGDISQAYCKEKNLGNIDPPQSELWTYFVDRVRDNFHIML
CFSPVGQKFRERARKFPALFNECTIDWFLPWPEEALVSVAETFIKNFDKL
DTKEETKQELMKHMGNVHLMVNEICDEYYQKMRRQVYVTPKSFLSYLNSY
KTLYIEKYDELDQQEESFKIGLNKIQEATITINQMEISLKEEEIQLNEAT
EKTNQLLANLDKESKKANQKGEEVAATNKQCEIQAEQISKEKEEAERELE
AALPALRRAQEAVDSIESKDIVELKANKKPLDIIKYIMNAVLVFFKARLI
PIQIEERVFNKKEGKAVLFLKESYDESGIQTLGDMNFMKKLKEFEKDSIN
EETIELLEPYLNQSEDWFNDTFATKASKAAAGILKWAFAIYEYHQKSKIV
KPKRIQVAIAEGRQAIALKELEKAREDLAQIQAYIKNLKDVYTKQMEEKN
ELEMKAAKTKKKINTARTLITSLSGEKDRWGKGAQDISDQKRKLVGNVSL
STAFISYCGPFNAEYRNKLAQQRFVVDMKKRGVPVTPGLELTSFLIDDAT
IGEWNLQGLPKDDLSIQNGIMVTNSARYPLFIDPQGQGQNWIRNKLSASI
IPERCITTLSHPKFKDMFLKYCMESGLTLIVENIENEVDPMMDPVLERQI
IVKGKTQFVNVAGTEMELSKEFKLFMTCRLANPSFSPELSAKTTIIDFTV
TQSGLEQQLLGKVISKEQKALEDSLNQLLADVNQNQKDLQRLDKNLLERL
INSQGNLLDDTELMDVLNNTKTQAKEVAAKLIDAEIKTKEINEKREQYRP
VAIRGSAIYFTMIEVSLVNWMYNSSLEQFLKLFIESIDLSEKAQLPSNRV
KNIISFLTFHVYRYVNRGLFEKDKITFILMMAFKILTTAGTISSGDVSLF
LKSGDALDIKSERQKQISYLEDNQWLNILALSKHTFSGQTLPFFKELPDL
ISRSENQWRNWIDKNDPENFPIPDFAESINQEKEIGSFISLCLVRSLRND
RTLIATQNFISNVLGKEFTDPISYPIEGIWQESSNMDPVLFLLSAGADPT
SSIDELAKKKKKFPCEKVSMGEGQERVARQVIMKGFVEGGWVILQNCHLG
LKFMEEIETLVSPINQIHEDFRLWITCEQHPKFPLGLLQKTLKVTNEPPK
GLKAGLYKTFTTIITQEFIDKVDHSNWRSLIFTICFLHSIVIERKKFGPL
GWCVPYEYNYSDLEASLLYIEKYLTNLMSTPHNLPISMNVVRYMICEVQY
GGRITDDLDRELFITYGETYLKDGIFGNDYFFYDIMVDQKFKYRIPQNPS
AELIKYQEYIAKVPTVDNPEVFGLHSNADLTFRLKESKEMINTVMETRPK
DSSVGGGKTREEIVQDKAKDMLKNLPPDYNDVEVRELVSKLGGPNPKTST
ERGMTVPLNIFLYQEVTRMQRVIGLVRKTLQDTILAIDGQIIMTPEILEA
INAIYDAKVPNSWLYDPSGAEISWLLPNLGSWSTSLSDRNKQLNDWLRSG
QRPILFWLTGFFNPQGFLTGMKQEVTRNHKGKGGEAWSLDDVVYSTTVKE
REKEKDIEQPPAEGVYIKGLYLEGCKWSKNGLDDSDPKKIFADLPILHVS
AINKKMSNTYLCPVYKYPKRTDKYLIFRVGLPCEGSNNPSHWKLRGVALL
CST
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 chain7k5b Chain A 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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PDB7k5b Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.
Resolution4.5 Å
Binding residue
(original residue number in PDB)		L2460 L2461 T2463 G2496 T2497 A2498 K2499 T2500 S2501 M2696 R2697
Binding residue
(residue number reindexed from 1)		L2311 L2312 T2314 G2347 T2348 A2349 K2350 T2351 S2352 M2547 R2548
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:7k5b, PDBe:7k5b, PDBj:7k5b
PDBsum7k5b
PubMed34556869
UniProtQ22A67

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