Structure of PDB 6zyw Chain C Binding Site BS01

Receptor Information
>6zyw Chain C (length=4433) Species: 312017 (Tetrahymena thermophila SB210) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SKRIAWMKTTICDSLQLKDMIVEESFQYEKNKNLLEQFLSGEGLNKIFAY
YQVQEQAQNDDIKDTGAQDPVLFFTTGDLEKIQDKAVWFLRITNPADDKK
KASQQDGNDNDIIFGEITPNTVPMLNALMESVYSRQIDHIITEKIQFWGV
AEEEQVLEFQQHSNKFSSEVREAINLMSPGTEHFKLDYEAISGLSESEKM
QHYEMKFNEWINLISSQLNRKDEKDAGPATELIYWRSRMQKITNWSEQLK
SKDFQIVKASLQRHKNHDNQRPRGDESLNEAKDNVKYLTTLEKFIEPLYN
GTPQQIIDTLPALMNAIKMIHTIARFYNTTDKMTGLFIKITNQMIKNCKD
RILNMIWEQDPAELIEVLGSCIKLYCEYKKCYNDTKEKVADMPKGKTFDF
SDAQIFGKFDTFVRRLQKLIEIFSNIQQFNALAKHNLEGMDVLTNKFKKI
IDDFKKKGHNLLDTANNKFDRDWVEFNVEISHLDGELQNFIDNNFNRFRN
IEYSLKLLHKFQSTIKRDSLKHNLTSRYNAILHNYATELDTIQRVFQDQK
SNPPLVRNMPPEAGKIIWARHLFQKITGPINIFPENVINSTEIRRYYGSY
NTLGKQLTIYEMWFYQDWVNKIEQSKAALQATLIVRHDENKKLYVNFDLE
IMQLIREAKCLDRQGIEIPESARIILLQEDKFKTYYNELLYALKEYERIN
SKIKPICKNLLLPHIEDLDLKLRPGMVTLTWTSMNIESYLYYVHQGLKKL
EQLIINVNDIIENRIENNLKTVSKVVLVHLPNVEVERAVDDLLQTIMLYP
LDPHVDPVLPEETKRIKRYYFWYFYQALLNSTQNSLNAMKYRVCGKKIPG
ANTLQNLKPFFQVEVQLNGDKVTLNPSLQEIQKSINRAATAVLRCSKHLY
NWDQQNKDSTDKATFYDMIACDKEIVKVILLLTGSIQGTKNKVNEFLSGF
TKFEWLCKESIQESIKKFSKNGPTLQNYEDQLKKFSQIEEEIEKIVPTYK
IGAMELMTHNICTSLSTWAKEWKLQYSQDLHKRARQLLDSLTEQTKMLST
KLSKPVKDIDSLGYVMETLEQIRKEQAEIDMKFNPVQEMYSLLDNYLPGG
ITDKDEMDARSLLRRNWDILIQQAEIKGKEYQHKQAIYLKELKQSIKDFT
NQVSIFRRDYEKNGPMVEGISPAEAMERLRRFEDEYDVKYQMYKINARGE
NLFGLQNQKYPELEKTDAEIKNLNKLYNLYDSVIKNIQQFKEKSWQDVSK
DDLAKMEEDAGKYGEQCSRLPKDLKEWQAYRDLKNYIDSLREQLPLIISL
KKPSIMPRHWEKIKEITNTKLNYENPDQFYIEEIMGAKLLDFREDIEDIT
ESADKQLKIRTGLDEINLYWNDMQFQFGIWGKRDVPCMLNGLIVGTILER
LEEDQLQLSTFNSQRHVTPFKAEVENLIRTFSDVNDTLDMWVKVQKLWTS
LEPVFTGGDIARQMPLQAKQFQGIDKNWMKIMEKAVETKKVIPCCQNDML
KDFLPDLNRKLEDCQKMLEAYLEGKRKKFPRFYFVSNPTLLKILSQGSEP
TSIQEDFEKLFDAITKVTFESAKDKKNPALKQITQIQQVIGRNEENISLT
GYYVKCEGNIEDWLKKLEQNMQQTLKDIASAAAQQVFQVGLKEFVSSQAS
QIALLGLQILWTSKVNEGLERLSRNERNAMDIKRNEIKEHMNILSSMCLE
DLNGAVERTKVETLVTIQVHQKDISMDLKCKDVNDFEWQKQTRIAWKTDI
DECIISITDWDSPYSYEFLGAKERLCITPLTDRCYITLAQAMSMYYGGAP
AGPAGTGKTETVKDLGRTLGVFVVVTNCSDQHRYRDMAKIFKGLVQSGLW
GCFDEFNRIDLEVLSVVAMQVESITTARKQHMKKFMFPEEEIEIELIPTV
SYFITMNPGYAGRQELPENLKVLFRGVSMMVPDREIIIKVKLASVGYLQI
DLLAKKFNVLYRLCEEQLSKQRHYDFGLRNILSVLRTAGNTKRQEIKSDE
EMLLMRSLRDMNLSKLVADDIPLFNGLLADIFPKLKEVPKKLYPDVEKKI
PEEINAESYLINTPSFQLKIIQLYETCLVRHGFMLVGPTGSGKSTIMKIL
TEVLTKLGSPHKIVIMNPKAITAEQMYGVKSEISDDWIPGVFSTIWAKSN
NRALKHTTWITCDGPVDAIWIENLNTVLDDNKILTLANGERIAMTENCKV
VFEVENLNNASPATVSRCGQVYVSPTDLGYEAVIEGWIRNRKASGRAEES
DKLGNILRKYLINMRFIELQSKECKEPMMDTSPVISVINILNLLTGCLQY
FVQTQRTLSEQEYEKFIVYSMAWAIGGIYEAQDRVRFHELLLAKNAPIPQ
KGKENETVFDYYVSQDYLDWKICSPEEWVPPQSLQFSQLLLPTLDSFRAE
MLLNFILTQPKSHTCSNSALLIGGSGTAKTSSVLLYCNKFDPQKMLFKRT
NFSSATSPFMFQSTIEAECDFKVGKEFAPPGNKMMTIFIDDMSMPFVNKW
GDQITLELVRQLIETGGFYMLDKTQRGNQRKMKNLQYIGAMNHPGGGRND
IPNRLKRQFFIFNMILPLSIEGIYGPIIKHMFKQKYFSDSTYKVIESLTS
ATIALWNKVKSTMLPTPAKFHYVFNMRELSRIFKGILTCKKDTINDAPKS
MKIKPELFLVGLWRHEAERVLADKLVNNKDKDTVMGYIQEVSLESFSQIE
NEILEKYSSEKTFLFCDFLRPDVINEDGIIEEEAPKIYEAIDSLTELRKR
CNFLLSFYNDRNPSKKMPLVLFDDALKHLLRISRIIRQPRSSGLLVGVGG
SGKQSLTRLAGFIGKNLIQQIIVTKTYSDKDLKEDIKKGFDDAGHLGKQV
TFLMTDSEVKKEEFLEYINMVLSTGEIPNLLAKDEREVWLGDISQAYCKE
KNLGNIDPPQSELWTYFVDRVRDNFHIMLCFSPVGQKFRERARKFPALFN
ECTIDWFLPWPEEALVSVAETFIKNFDKLDTKEETKQELMKHMGNVHLMV
NEICDEYYQKMRRQVYVTPKSFLSYLNSYKTLYIEKYDELDQQEESFKIG
LNKIQEATITINQMEISLKEEEIQLNEATEKTNQLLANLDKESKKANQKG
EEVAATNKQCEIQAEQISKEKEEAERELEAALPALRRAQEAVDSIESKDI
VELKANKKPLDIIKYIMDAVLVFFKARLSYDESGIQTLGDMNFMKKLKEF
EKDSINEETIELLEPYLNQSEFNDTFATKASKAAAGILKWAFAIYEYHQK
SKIVKPKRIQVAIAEGRQAIALKELEKAREDLAQIQAYIKNLKDVYTKQM
EEKNELEMKAAKTKKKINTARTLITSLSGEKDRWGKGAQDISDQKRKLVG
NVSLSTAFISYCGPFNAEYRNKLAQQRFVVDMKKRGVPVTPGLELTSFLI
DDATIGEWNLQGLPKDDLSIQNGIMVTNSARYPLFIDPQGQGQNWIRNKL
SAITTLSHPKFKDMFLKYCMESGLTLIVENIENEVDPMMDPVLELSKEFK
LFMTCRLANPSFSPELSAKTTIIDFTVTQSGLEQQLLGKVISKEQKALED
SLNQLLADVNQNQKDLQRLDKNLLERLINSQGNLLDDTELMDVLNNTKTQ
AKEVAAKLIDAEIKTKEINEKREQYRPVAIRGSAIYFTMIEVSLVNWMYN
SSLEQFLKLFIESIDLSEKAQLPSNRVKNIISFLTFHVYRYVNRGLFEKD
KITFILMMAFKILTTAGTISSGDVSLFLKSQKQISYLEDNQWLNILALSK
PFFKELPDLISRSENQWRNWIDKNDPENFPIPDFAESINQEKEIGSFISL
CLVRSLRNDRTLIATQNFISNVLGKEFTDPISYPIEGIWQESSNMDPVLF
LLSAGADPTSSIDELAKKKKKFPCEKVSMGEGQERVARQVIMKGFVEGGW
VILQNCHLGLKFMEEIETLVSPINQIHEDFRLWITCEQHPKFPLGLLQKT
LKVTNEPPKGLKAGLYKTFTTIITQEFIDKVDHSNWRSLIFTICFLHSIV
IERKKFGPLGWCVPYEYNYSDLEASLLYIEKYLTNLMSTPQPNSHNLPIS
MNVVRYMICEVQYGGRITDDLDRELFITYGETYLKDGIFGNDYFFPQNPS
AELIKYQEYIAKVPTVDNPEVFGLHSNADLTFRLKESKEMINTVMETRPR
EEIVQDKAKDMLKNLPPDYNDVEVRELVSKLGGPNPKTSTERGMTVPLNI
FLYQEVTRMQRVIGLVRKTLQDTILAIDGQIIMTPEILEAINAIYDAKVP
NSWLYDPSGAEISWLLPNLGSWSTSLSDRNKQLNDWLRSGQRPILFWLTG
FFNPQGFLTGMKQEVTRNHKKEAWSLDDVVYSTTVKEREKEPAEGVYIKG
LYLEGCKWSKNGLDDSDPKKIFADLPILHVSAINKSNTYLCPVYKYPKRT
DKYLIFRVGLPCEGSNNPSHWKLRGVALLCSTE
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 chain6zyw Chain C 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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PDB6zyw Shulin packages axonemal outer dynein arms for ciliary targeting.
Resolution8.78 Å
Binding residue
(original residue number in PDB)		A1874 G1875 G1877 K1878
Binding residue
(residue number reindexed from 1)		A1804 G1805 G1807 K1808
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:6zyw, PDBe:6zyw, PDBj:6zyw
PDBsum6zyw
PubMed33632841
UniProtQ22A67

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