Structure of PDB 7k58 Chain A Binding Site BS01

Receptor Information
>7k58 Chain A (length=4443) Species: 5911 (Tetrahymena thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KYSKRIAWMKTTICDSLQLKDMIVEESFQYEKNKNLLEQFLSGEGLNKIF
AYYQVQEQAQNTTGDLEKIQDKAVWFLRITNPADDKKKASQQDGNDNDII
FGEITPNTVPMLNALMESVYSRQIDHIITEKIQFAEEEQVLEFQQHSNKF
SSEVREAINLLDYEAISGLSESEKMQHYEMKFNEWINLISSQLRKDEKDA
GPATELIYWRSRMQKITNWSEQLKSKDFQIVKASLQRHKNHDNQRPRGDE
SKLNEAKDNVKYLTTLEKFIPLYNGTPQQIIDTLPALMNAIKMIHTTTDK
MTGLFIKITNQMIKNCKDRILNKMIWEQDPAELIEVLGSCIKLYCEYKKC
YNDTKEKVADMPKGKTSDAQIFGKFDTFVRRLQKLIEIFSNIQQFNALLE
GMDVLTNKFKKIIDDFKKKGHNLLDTANNKFDRDWVEFNVEISHLDGELQ
NFIDNNFNRFREYSLKLLHKFQSTIKRHNLTSRYNAILHNYATELDTIQR
VFQDQKSNPPLVRNMPPEAGKIIWARHLFQKITGPINTEIRRYYGSYNTL
GKQLTIYEMWFYQDWVNKIEQSKAALQATLIVRHDENKKLYVNFDLEIMQ
LIREAKCLDRQGIEIPESARIILLQEDKFKTYYNELLYALKEYERINSKI
KPICKNLLLPHIEDLDLKLRPGMVTLTWTSMNIESYLYYVHQGLKKLEQL
IINVNDIIENRIENNLKTVSKVVLVHLPLDSFVQLQEEYINSKTDFLTSK
NVEVERAVDDLLQTIMLYPLDPHVDPVLPEETKRIKRYYFWYFYQALLNS
TQNSLNAMKYRFFQVEVQLNGDKVTLIQKSINRAATAVLRCSKHLYNWDQ
ATFYDMIACDKEIVKVILLLTGSIQGTKNKVNEFLSGFTKFEWLCKESIQ
ESIKKFSKNGPTLQNYEDQLKKFSQIEEEIEKIVPTYKIGAMELMTHNIC
TSLSTWAKEWKLQYSQDLHKRARQLLDSLTEQTKMLSTKLSKPVKDIDSL
GYVMETLEQIRKEQAEIDMKFNPVQEMYSLLDNYLPGGITDKDEMDARSL
LRRNWDILIQQAEIKGKEYQHKQAIYLKELKQSIKDFTNQVSIFRRDYEK
NGPMERLRRFEDEYDVKYQMYKINARGENLFGLQNQKYPELEKTDAEIKN
LNKLYNLYDSVIKNIQQFKEKSWQDVSLAKMEEDAGKYGEQCSRLPKDLK
EWQAYRDLKNYIDSLREQLPLIIPRHWEKIKEITNTKLNYENPDQFYIEE
IMGALDFREDIEDITESADKQLKIRTGLDEINLYWNDMQFQFGIWGKRML
NGLIVGTILERLEEDQLQLSTFNSQRHVTPFKAEVENLIRTFSDVNDTLD
MWVKVQKLWTSLEPVFTGGDIARQMPLQAKQFQGIDKNWMKIMEKAVETK
KVIPCCQNDMLKDFLPDLNRKLEDCQKMLEAYLEGKRKKFPRFYFVSNPT
LLKILSQGSEPTSIQEDFEKLFDAITKVTFESAKDKKNPALKQITQIQQV
IGRNEENISLTGYYVKCEGNIEDWLKKLEQNMQQTLKDIASAAAQQVFQV
GLKEFVSSQASQIALLGLQILWTSKVNEGLERLSRNERNAMDIKRNEIKE
HMNILSSMCLEDLNGAVERTKVETLVTIQVHQKDISMDLKCKDVNDFEWQ
KQTRIAWKTDIDECIISITDWDSPYSYEFLGAKERLCITPLTDRCYITLA
QAMSMYYGGAPAGPAGTGKTETVKDLGRTLGVFVVVTNCSDQHRYRDMAK
IFKGLVQSGLWGCFDEFNRIDLEVLSVVAMQVESITTARKQHMKKFMFPE
EEIEIELIPTVSYFITMNPGYAGRQELPENLKVLFRGVSMMVPDREIIIK
VKLASVGYLQIDLLAKKFNVLYRLCEEQLSKQRHYDFGLRNILSVLRTAG
NTKRQEIKSDEEMLLMRSLRDMNLSKLVADDIPLFNGLLADIFPKLKEVP
KKLYPDVEKKIPEEINAESYLINTPSFQLKIIQLYETCLVRHGFMLVGPT
GSGKSTIMKILTEVLTKLGSPHKIVIMNPKAITAEQMYGVKSEISDDWIP
GVFSTIWAKSNNRALKHTTWITCDGPVDAIWIENLNTVLDDNKILTLANG
ERIAMTENCKVVFEVENLNNASPATVSRCGQVYVSPTDLGYEAVIEGWIR
NRKASGRAEESDKLGNILRKYLINMRFIELQSKECKEPMMDTSPVISVIN
ILNLLTGCLQYFVQTQRTLSEQEYEKFIVYSMAWAIGGIYEAQDRVRFHE
LLLAKNAPIPQKGKENETVFDYYVSQDYLDWKICSPEEWVPPQSLQFSQL
LLPTLDSFRAEMLLNFILTQPKSHTCSNSALLIGGSGTAKTSSVLLYCNK
FDPQKMLFKRTNFSSATSPFMFQSTIEAECDFKVGKEFAPPGNKMMTIFI
DDMSMPFVNKWGDQITLELVRQLIETGGFYMLDKTQRGNQRKMKNLQYIG
AMNHPGGGRNDIPNRLKRQFFIFNMILPLSIEGIYGPIIKHMFKQKYFSD
STYKVIESLTSATIALWNKVKSTMLPTPAKFHYVFNMRELSRIFKGILTC
KKDTINDAPKSMKIKPELFLVGLWRHEAERVLADKLVNNKDKDTVMGYIQ
EVSLESFSQIENEILEKYSSEKTFLFCDFLRPDVINEDGIIEEEAPKIYE
AIDSLTELRKRCNFLLSFYNDRNPSKKMPLVLFDDALKHLLRISRIIRQP
RSSGLLVGVGGSGKQSLTRLAGFIGKNLIQQIIVTKTYSDKDLKEDIKKG
FDDAGHLGKQVTFLMTDSEVKKEEFLEYINMVLSTGEIPNLLAKDEREVW
LGDISQAYCKEKNLGNIDPPQSELWTYFVDRVRDNFHIMLCFSPVGQKFR
ERARKFPALFNECTIDWFLPWPEEALVSVAETFIKNFDKLDTKEETKQEL
MKHMGNVHLMVNEICDEYYQKMRRQVYVTPKSFLSYLNSYKTLYIEKYDE
LDQQEESFKIGLNKIQEATITINQMEISLKEEEIQLNEATEKTNQLLANL
DKESKKANQKGEEVAATNKQCEIQAEQISKEKEEAERELEAALPALRRAQ
EAVDSIESKDIVELKANKKPLDIIKYIMDAVLVFFKARLIPIQIEERVFN
KKEGKAVLFLKESYDESGIQTLGDMNFMKKLKEFEKDSINEETIELLEPY
LNQSEDWFNDTFATKASKAAAGILKWAFAIYEYHQKSKIVKPKRIQVAIA
EGRQAIALKELEKAREDLAQIQAYIKNLKDVYTKQMEEKNELEMKAAKTK
KKINTARTLITSLSGEKDRWGKGAQDISDQKRKLVGNVSLSTAFISYCGP
FNAEYRNKLAQQRFVVDMKKRGVPVTPGLELTSFLIDDATIGEWNLQGLP
KDDLSIQNGIMVTNSARYPLFIDPQGQGQNWIRNKLSASIIPERCITTLS
HPKFKDMFLKYCMESGLTLIVENIENEVDPMMDPVLERQIIVKGKTQFVN
VAGTEMELSKEFKLFMTCRLANPSFSPELSAKTTIIDFTVTQSGLEQQLL
GKVISKEQKALEDSLNQLLADVNQNQKDLQRLDKNLLERLINSQGNLLDD
TELMDVLNNTKTQAKEVAAKLIDAEIKTKEINEKREQYRPVAIRGSAIYF
TMIEVSLVNWMYNSSLEQFLKLFIESIDLSEKAQLPSNRVKNIISFLTFH
VYRYVNRGLFEKDKITFILMMAFKILTTAGTISSGDVSLFLKSGDALDIK
SERQKQISYLEDNQWLNILALSKHTFSGQTLPFFKELPDLISRSENQWRN
WIDKNDPENFPIPDFAESINQEKEIGSFISLCLVRSLRNDRTLIATQNFI
SNVLGKEFTDPISYPIEGIWQESSNMDPVLFLLSAGADPTSSIDELAKKK
KKFPCEKVSMGEGQERVARQVIMKGFVEGGWVILQNCHLGLKFMEEIETL
VSPINQIHEDFRLWITCEQHPKFPLGLLQKTLKVTNEPPKGLKAGLYKTF
TTIITQEFIDKVDHSNWRSLIFTICFLHSIVIERKKFGPLGWCVPYEYNY
SDLEASLLYIEKYLTNLMSTPHNLPISMNVVRYMICEVQYGGRITDDLDR
ELFITYGETYLKDGIFGNDYFFYDIMVDQKFKYRIPQNPSAELIKYQEYI
AKVPTVDNPEVFGLHSNADLTFRLKESKEMINTVMETRPKDSSVGGGKTR
EEIVQDKAKDMLKNLPPDYNDVEVRELVSKLGGPNPKTSTERGMTVPLNI
FLYQEVTRMQRVIGLVRKTLQDTILAIDGQIIMTPEILEAINAIYDAKVP
NSWLYDPSGAEISWLLPNLGSWSTSLSDRNKQLNDWLRSGQRPILFWLTG
FFNPQGFLTGMKQEVTRNHKGKGGEAWSLDDVVYSTTVKEREKEKDIEQP
PAEGVYIKGLYLEGCKWSKNGLDDSDPKKIFADLPILHVSAINKKMSNTY
LCPVYKYPKRTDKYLIFRVGLPCEGSNNPSHWKLRGVALLCST
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 chain7k58 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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PDB7k58 Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.
Resolution4.0 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)		L2301 L2302 T2304 G2337 T2338 A2339 K2340 T2341 S2342 M2537 R2538
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:7k58, PDBe:7k58, PDBj:7k58
PDBsum7k58
PubMed34556869
UniProtQ22A67

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