Structure of PDB 7k5b Chain A Binding Site BS02

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 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 chain7k5b Chain A Residue 4801 [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)		Y2129 L2130 I2131 F2136 G2160 G2162 K2163 S2164 T2165 E2273 L2298 V2303 H2483 R2624 R2627
Binding residue
(residue number reindexed from 1)		Y1980 L1981 I1982 F1987 G2011 G2013 K2014 S2015 T2016 E2124 L2149 V2154 H2334 R2475 R2478
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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