Structure of PDB 8bx8 Chain C Binding Site BS03

Receptor Information
>8bx8 Chain C (length=3947) Species: 5911 (Tetrahymena thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLVWTQLKQTGTTQPTARSGHTIITVGKTHIMFGGLDNDKNNYKDGKIAP
NNQVFTLKLTQNNCEWRQIACQGDVPLPRCYHASCAISADKMLVFGGSYT
SNLRFNDTYILKTTSYQWSKPANQISGGEPKNAESKIGAPQPRYGHSATF
FEGKVYIFGGHGGINYQRLAFNDLYVLETENFEWTRLEPKGNPPDPRGGH
SAAMMANKPQLMIFGGWSFTSQYSNIMIYDIEKDEWVDPEIAHEIPKWNL
SGIMAPSIPSWKYFIFGGSVGSFEEGGNRTNSRFVDDSFVLDIDTLSWSS
INLEADETSKAVCKPRPRESASIFYDSGESRAIVFGGWANNWLNDLWALN
VSTITGPPIFSIKPALGPLTGKTKVLIEGDGFKDTQNISVKFSGGKLEKE
VNGTFVNEKEISCETPTFDYPRSVEVTVCMNKGDYTITKSAFTYNTKADK
TIAYGPGLLTENLIGVQTTIVIQARNGSDEFVVTIRNPAKIKKEEEVKEG
DKANTKNTIKEDEEEEGEDEEENKKKKEAEKNDLTGSAVMNYISKQLKDI
QEFIENTKENIEIRNKNISELINVMINLEKVRVKNDDDVLTLDTVEEMLN
FLKKKKDSDIKKCKKLQEEWKNLAKMAQAVKKDIQNPVKTESDKTKENIK
KFEEITLKEYANSLKKESFFIYKTGVSESFKRIGEVKQKVDEFEVQLNQY
EDFARIGSKKLMEQIRTDVSSVEKLWVRIEISEKTMDEYKKMKWGSINSM
DMEDEIKKLRKALTDLRGIDKRSNAFIGITEELKKWATFLPLLGELKDPS
MNSEDGRHWKKLKDLVKKEFDVSQELMLEIIWDLKLFDYKDGIEEITDQA
KQELKMEKALKKIIDFWRDIEFELVQHKNTDIHTLKMSEENFETLEDHQL
QINNMLLSKYVAYFEKEVEKWKYDLGSVYDVVQLLLEVQKTWSFLENLFE
VKRELPNESAQFVGIDKDMKEIMQKGCDIKNCLKFCTIEGMLKRLENIQA
QLKVCEKALNEFLDSKRRAFPRFYFVSVNDLLDILSNGNSPAKINRHMSK
IFQAIDNLQLKEDSSGGRPTLKMISCVGTEEVDFSSPRLLQGKVESYLKD
VIDTMIGTLKSVANSSFKNFQSMTRKEWLKSDPSQITLLVNNIIWSKAVE
DCFLKLQSGDINAMKLFLDESIKQLTELIGMVQGDLSKPLRQKIMCLITI
DTHSRDVVHRLINEHVRKAEEFQWQSQLKFYWVDNDAKIKIADARFVYNY
EYLGNGPRLVITPLTDRIYVTATQALHLKMGCAPAGPAGTGKTETTKDLA
NALAKACYVFNCSSEMNYESMGNIYKGLASSGCWGCFDEFNRLLPEVLSV
CSVQFKAVTDAIKQNVERFIIEGDEISLDPTCGVFITMNPGYLGRAELPE
GLKALFRPITVVVPDLELICENMLMAEGFIEAKILAKKFVTLYMLCRDLL
SKQLHYDWGLRAIKSVLVVAGGFKRSEPEIAEQALLMRALRDFNIPKIAF
QDLYVFHGLLGDLFPGINIKPKKDLDFEKIITDVCIENKLDPDPEFVLKV
VQLSELLAIRHCVFVMGPPGAGKSTTWKILAKAQDKTNKKTTLIDIDPKV
VSTKDFYGYNLPSKEWKDGLFSKMLRSLAEQPDTNPKWICLDGDLDANWI
ESMNSVMDDNKILTLANNERIPLKPHMRALFEIRDLRFATPATVSRAGIL
YISDEVGYQWRSYVKSWIKQEFSQDQEMSKNLDTLFGKYVPDTLDHIKKH
CRFLVPVSPISQVISICKSLQTLLKGDVKNLEYLFVYALIWAIGGALAEK
DSIDYRKDFSTWWKGAWKTAVKFPSKGTIFDYYVDQSGDSSKFVEWSKRL
ENKEFDPQVETMGNITVNTIETLATTEFIKSYLMVKHPSLLIGNSGCGKT
QLAKGILKEIVQAKPENYAYQLINFNYYTDSTYLQGQIEQTLEKKAGRQY
GPPGKVQLIYFIDDLNMPQLDAYDTQTAIALLRQLADYGHFYDVSKLALK
DIINTQVLAAMNPSAGSFFVNPRYQRHFWTISIPFPDNESLSLIYITFLN
GHLKRFKSTIQEYSNIIVRASLMLHQAVTQNFRKTAINFHYEFNLRHMSN
VFQGLLLSDPNKFTEPDKLIKLWIHECERTYGDRLVSTDNLKTYKENIFD
IVKKSFSKFNFSRYFGNNPENLIYCNFIAGINSDRFYDQMPNNEMEKHIS
EALKEYNDNNAFMGLVLFEDAMKHVCRICRIVLPSSGHALLVGVGGSGKQ
SLSKLASFIMGYTTFSITISATYSMVDLRNDLQQLYFKCGPKEEGILFLF
TEGQITNERFLVYINDLLSSGEIAELYTLDEKEAMINQVRAKVKGEGKPD
TRENCWNWFIDQVKKNLHMAICFSPVGDMRRRARQFPALVNCTVIDWFQP
WPYEALFNVAKSFLEPVDLGDDKVREAVVKFMPFSFTLVNDLGLKLLEQE
RRYAYTTPKSFLELISLFTNMLAQKRESLERNKERYETGLVKLKETAEQV
AIIEVEVKEKQVEAEAKKKEADAFAEVVGREKDKVEKENSKATIEADKCG
LIKQNVEAQKSSTQQDLDAAQPLVEQAKSALNSISKKDFQQAKSFASPPA
GVPEVFAATIYLLAGYFNEAIEIDKNKKPKDVSWKSSLKLMKSPEEFMEK
LLNFKDVVDANQVANVNIVKNQYLNMPSFTPEQMASKSAAAKGICSWVVN
IVKYYDVIQDVEPKRKALKEATEQLEEATVKLNEVEEVVRKLNEELNKLK
AENDKAIAERNAAISEAERCARRLNLAQRLVTALSSENERWGKSIIQLED
QLKLMVGDVLVASSFVSYSGPFNKKFRNIMINQNFMKFMKEHTIPMSPDP
NPIKILTDESTIALWNKQKLPSDSVSIENGTILTNSARYPLMIDPQLQGI
TWIREKEKANNLKILRLGSKNINRDLELSIENGYSAIIENMNERIDAILM
PIIARSFIKRGKNKIIKFAGKDLILHPNFKLFLHTKLSNPHYPPEIQAEA
ALINFTVTEAGLGDQLLSLVVARERPDLAKMKIELITQQNDFKIKLKDLE
DELLYKLANAKGDILDDIELIENLEYSKKLSVEIAEKVAAAKITEAKINE
TSENYRPAASRGALFYFLLSDLSKVHSFYKYSLESFIVVINRAIDAISEN
KIYGKTTMMSPRSLKKRVDELIESLTYTAYQTTRRGLFESHKLIVAAMLC
LRVLLRSEELNSDEVDHLIIGKVDVNPTPMPDALKSFLNDNIWAACKALE
TIHQFQGFCQSLETDVLQWKKWYSEEKAETADLPKAFKELSKFHRLLLLR
ALRPDRLPSALSQFVHDKMGERYIEQPPFNIFETFQETSKTVPIFFVLFP
GVDPTPDVERVAATFDVSANNGRFINISMGQGQEDRAKKALFDCAQKGHW
IMLQNVHLMQSWLYGLNGLEGFLESVFASPKTHPNFRVFISSEPPNVLLP
LMQIIPESILQGSLKIANEAPQYLKANLRRAYNKFDQEFLDKCDKKPTEF
KSCLFALCFFHSLMLGRKKFGTQGWSRVYNFNDGDLTICADVLYNYLSKY
DQVPWDDLRYIFGEIMYGGHITDDWDRRTNRTYLKVLIRSELLQQNFNLA
PQFKSPDPSKFDYEAYRKYIEEKLPIESPQMFGMHPNAEIGYLTQTCDQV
FNTILEVQGGSSGGGASKKDDGVMVTLTDFKTRCPHDFNMLLIEEKVKEK
TPYIVVCLQECERMNGLLKEIKTSLEDLRLGLTGALNMTDAMESLQQSLS
FNKVPDTWEKKAYFSKKPLSSWFADLIERNIQLQEWCKELVTPTSLCISY
LFNPMSYLTAIMQFTARAQGLPLDGITIQTNVTAMKGPEDVVNPAENGAY
IHGLFLEGAAWEIGGQGQDGYLIEQKPKELHPKMPVINAVAVPLDKKKKN
GQYDCPTYVTSARGQTFVFTANLNMESDDSDPNKWILSGTCMLMSDD
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 chain8bx8 Chain C Residue 4306 [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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PDB8bx8 ATP-induced conformational change of axonemal outer dynein arms revealed by cryo-electron tomography.
Resolution30.3 Å
Binding residue
(original residue number in PDB)		G2363 G2365 K2366 Q2367 S2368
Binding residue
(residue number reindexed from 1)		G2246 G2248 K2249 Q2250 S2251
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:0005874 microtubule
GO:0030286 dynein complex
GO:0031514 motile cilium

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8bx8, PDBe:8bx8, PDBj:8bx8
PDBsum8bx8
PubMed37051721
UniProtI7M6H4

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