Structure of PDB 7moq Chain C Binding Site BS02

Receptor Information
>7moq Chain C (length=4159) Species: 452467 (Tetrahymena thermophila CU428) [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
LFGLQNQKYPELEKTDAEIKNLNKLYNLYDSVIKNIQQFKEKSWQDVSKD
DLAKMEEDAGKYGEQCSRLPKDLKEWQAYRDLKNYIDSLREQLPLIISLK
KPSIMPRHWEKIKEITNTKLNYENPDQFYIEEIMGAKLLDFREDIEDITE
SADKQLKIRTGLDEINLYWNDMQFQFGIWGKRDVPCMLNGLIVGTILERL
EEDQLQLSTFNSQRHVTPFKAEVENLIRTFSDVNDTLDMWVKVQKLWTSL
EPVFTGGDIARQMPLQAKQFQGIDKNWMKIMEKAVETKKVIPCCQNDMLK
DFLPDLNRKLEDCQKMLEAYLEGKRKKFPRFYFVSNPTLLKILSQGSEPT
SIQEDFEKLFDAITKVTFESAKDKKNPALKQITQIQQVIGRNEENISLTG
YYVKCEGNIEDWLKKLEQNMQQTLKDIASAAAQQVFQVGLKEFVSSQASQ
IALLGLQILWTSKVNEGLERLSRNERNAMDIKRNEIKEHMNILSSMCLED
LNGAVERTKVETLVTIQVHQKDISMDLKCKDVNDFEWQKQTRIAWKTDID
ECIISITDWDSPYSYEFLGAKERLCITPLTDRCYITLAQAMSMYYGGAPA
GPAGTGKTETVKDLGRTLGVFVVVTNCSDQHRYRDMAKIFKGLVQSGLWG
CFDEFNRIDLEVLSVVAMQVESITTARKQHMKKFMFPEEEIEIELIPTVS
YFITMNPGYAGRQELPENLKVLFRGVSMMVPDREIIIKVKLASVGYLQID
LLAKKFNVLYRLCEEQLSKQRHYDFGLRNILSVLRTAGNTKRQEIKSDEE
MLLMRSLRDMNLSKLVADDIPLFNGLLADIFPKLKEVPKKLYPDVEKKIP
EEINAESYLINTPSFQLKIIQLYETCLVRHGFMLVGPTGSGKSTIMKILT
EVLTKLGSPHKIVIMNPKAITAEQMYGVKSEISDDWIPGVFSTIWAKSNN
RALKHTTWITCDGPVDAIWIENLNTVLDDNKILTLANGERIAMTENCKVV
FEVENLNNASPATVSRCGQVYVSPTDLGYEAVIEGWIRNRKASGRAEESD
KLGNILRKYLINMRFIELQSKECKEPMMDTSPVISVINILNLLTGCLQYF
VQTQRTLSEQEYEKFIVYSMAWAIGGIYEAQDRVRFHELLLAKNAPIPQK
GKENETVFDYYVSQDYLDWKICSPEEWVPPQSLQFSQLLLPTLDSFRAEM
LLNFILTQPKSHTCSNSALLIGGSGTAKTSSVLLYCNKFDPQKMLFKRTN
FSSATSPFMFQSTIEAECDFKVGKEFAPPGNKMMTIFIDDMSMPFVNKWG
DQITLELVRQLIETGGFYMLDKTQRGNQRKMKNLQYIGAMNHPGGGRNDI
PNRLKRQFFIFNMILPLSIEGIYGPIIKHMFKQKYFSDSTYKVIESLTSA
TIALWNKVKSTMLPTPAKFHYVFNMRELSRIFKGILTCKKDTINDAPKSM
KIKPELFLVGLWRHEAERVLADKLVNNKDKDTVMGYIQEVSLESFSQIEN
EILEKYSSEKTFLFCDFLRPDVINEDGIIEEEAPKIYEAIDSLTELRKRC
NFLLSFYNDRNPSKKMPLVLFDDALKHLLRISRIIRQPRSSGLLVGVGGS
GKQSLTRLAGFIGKNLIQQIIVTKTYSDKDLKEDIKKGFDDAGHLGKQVT
FLMTDSEVKKEEFLEYINMVLSTGEIPNLLAKDEREVWLGDISQAYCKEK
NLGNIDPPQSELWTYFVDRVRDNFHIMLCFSPVGQKFRERARKFPALFNE
CTIDWFLPWPEEALVSVAETFIKNFDKLDTKEETKQELMKHMGNVHLMVN
EICDEYYQKMRRQVYVTPKSFLSYLNSYKTLYIEKYDELDQQEESFKIGL
NKIQGEKDRWGKGAQDISDQKRKLVGNVSLSTAFISYCGPFNAEYRNKLA
QQRFVVDMKKRGVPVTPGLELTSFLIDDATIGEWNLQGLPKDDLSIQNGI
MVTNSARYPLFIDPQGQGQNWIRNKLSAITTLSHPKFKDMFLKYCMESGL
TLIVENIENEVDPMMDPVLELSKEFKLFMTCRLANPSFSPELSAKTTIID
FTVTQSGLEQQLLGKVISKEQKALEDSLNQLLADVNQNQKDLQRLDKNLL
ERLINSQGNLLDDTELMDVLNNTKTQAKEVAAKLIDAEIKTKEINEKREQ
YRPVAIRGSAIYFTMIEVSLVNWMYNSSLEQFLKLFIESIDLSEKAQLPS
NRVKNIISFLTFHVYRYVNRGLFEKDKITFILMMAFKILTTAGTISSGDV
SLFLKSQKQISYLEDNQWLNILALSKPFFKELPDLISRSENQWRNWIDKN
DPENFPIPDFAESINQEKEIGSFISLCLVRSLRNDRTLIATQNFISNVLG
KEFTDPISYPIEGIWQESSNMDPVLFLLSAGADPTSSIDELAKKKKKFPC
EKVSMGEGQERVARQVIMKGFVEGGWVILQNCHLGLKFMEEIETLVSPIN
QIHEDFRLWITCEQHPKFPLGLLQKTLKVTNEPPKGLKAGLYKTFTTIIT
QEFIDKVDHSNWRSLIFTICFLHSIVIERKKFGPLGWCVPYEYNYSDLEA
SLLYIEKYLTNLMSTPQPNSHNLPISMNVVRYMICEVQYGGRITDDLDRE
LFITYGETYLKDGIFGNDYFFPQNPSAELIKYQEYIAKVPTVDNPEVFGL
HSNADLTFRLKESKEMINTVMETRPREEIVQDKAKDMLKNLPPDYNDVEV
RELVSKLGGPNPKTSTERGMTVPLNIFLYQEVTRMQRVIGLVRKTLQDTI
LAIDGQIIMTPEILEAINAIYDAKVPNSWLYDPSGAEISWLLPNLGSWST
SLSDRNKQLNDWLRSGQRPILFWLTGFFNPQGFLTGMKQEVTRNHKKEAW
SLDDVVYSTTVKEREKEPAEGVYIKGLYLEGCKWSKNGLDDSDPKKIFAD
LPILHVSAINKSNTYLCPVYKYPKRTDKYLIFRVGLPCEGSNNPSHWKLR
GVALLCSTE
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 chain7moq Chain C Residue 4702 [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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PDB7moq Remodeling and activation mechanisms of outer arm dyneins revealed by cryo-EM.
Resolution8.0 Å
Binding residue
(original residue number in PDB)		T2526 S2527 P2528 F2566 I2574 T2575 E2577 L2578
Binding residue
(residue number reindexed from 1)		T2455 S2456 P2457 F2495 I2503 T2504 E2506 L2507
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:7moq, PDBe:7moq, PDBj:7moq
PDBsum7moq
PubMed34338432
UniProtQ22A67

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