Structure of PDB 7moq Chain C Binding Site BS03

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 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 chain7moq Chain C Residue 4703 [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)		L2849 I2852 G2872 K2873 Q2874 S2875 L2876 T2877 L2879 A2880 G2881
Binding residue
(residue number reindexed from 1)		L2778 I2781 G2801 K2802 Q2803 S2804 L2805 T2806 L2808 A2809 G2810
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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