Structure of PDB 7k58 Chain A Binding Site BS02

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 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 chain7k58 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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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)		Y2129 L2130 I2131 F2136 T2159 G2160 G2162 K2163 S2164 T2165 E2273 L2298 H2483 R2624 R2627
Binding residue
(residue number reindexed from 1)		Y1970 L1971 I1972 F1977 T2000 G2001 G2003 K2004 S2005 T2006 E2114 L2139 H2324 R2465 R2468
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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