Structure of PDB 7kek Chain C Binding Site BS01

Receptor Information
>7kek Chain C (length=3943) 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
VSTITGPIFSIKPALGPLTGKTKVLIEGDGFKDTQNISVKFSGGKLEKEV
NGTFVNEKEISCETPTFDYPRSVEVTVCMNKGDYTITKSAFTYTKADKTI
AYGPGLLTENLIGVQTTIVIQARNGSDEFVVTIRNPAKIKKEEEVKEGDK
ANTKNTIKEDEEEEGEDEEENKKKKEAEKNDLTGSAVMNYISKQLKDIQE
FIENTKENIEIRNKNISELINVMINLEKVRVKNDDDVLTLDTVEEMLNFL
KKKKDSDIKKCKKLQEEWKNLAKMAQAVKKDIQNPVKTESDKTKENIKKF
EEITLKEYANSLKKESFYKTGVSESFKRIGEVKQKVDEFEVQLNQYEDFA
RIGSKKLMEQIRTDVSSVEKLWVRIEISEKTMDEYKKMKWGSINSMDMED
EIKKLRKALTDLRGIDKRSNAFIGITEELKKWATFLPLLGELKDPSMNSE
DGRHWKKLKDLVKKEFDVSQELMLEIIWDLKLFDYKDGIEEITDQAKQEL
KMEKALKKIIDFWRDIEFELVQHKNTDIHTLKMSEENFETLEDHQLQINN
MLLSKYVAYFEKEVEKWKYDLGSVYDVVQLLLEVQKTWSFLENLFEVKRE
LPNESAQFVGIDKDMKEIMQKGCDIKNCLKFCTIEGMLKRLENIQAQLKV
CEKALNEFLDSKRRAFPRFYFVSVNDLLDILSNGNSPAKINRHMSKIFQA
IDNLQLKEDSSGGRPTLKMISCVGTEEVDFSSPRLLQGKVESYLKDVIDT
MIGTLKSVANSSFKNFQSMTRKEWLKSDPSQITLLVNNIIWSKAVEDCFL
KLQSGDINAMKLFLDESIKQLTELIGMVQGDLSKPLRQKIMCLITIDTHS
RDVVHRLINEHVRKAEEFQWQSQLKFYWVDNDAKIKIADARFVYNYEYLG
NGPRLVITPLTDRIYVTATQALHLKMGCAPAGPAGTGKTETTKDLANALA
KACYVFNCSSEMNYESMGNIYKGLASSGCWGCFDEFNRLLPEVLSVCSVQ
FKAVTDAIKQNVERFIIEGDEISLDPTCGVFITMNPGYLGRAELPEGLKA
LFRPITVVVPDLELICENMLMAEGFIEAKILAKKFVTLYMLCRDLLSKQL
HYDWGLRAIKSVLVVAGGFKRSEPEIAEQALLMRALRDFNIPKIAFQDLY
VFHGLLGDLFPGINIKPKKDLDFEKIITDVCIENKLDPDPEFVLKVVQLS
ELLAIRHCVFVMGPPGAGKSTTWKILAKAQDKTNKKTTLIDIDPKVVSTK
DFYGYNLPSKEWKDGLFSKMLRSLAEQPDTNPKWICLDGDLDANWIESMN
SVMDDNKILTLANNERIPLKPHMRALFEIRDLRFATPATVSRAGILYISD
EVGYQWRSYVKSWIKQEFSQDQEMSKNLDTLFGKYVPDTLDHIKKHCRFL
VPVSPISQVISICKSLQTLLKGDVKNLEYLFVYALIWAIGGALAEKDSID
YRKDFSTWWKGAWKTAVKFPSKGTIFDYYVDQSGDSSKFVEWSKRLENKE
FDPQVETMGNITVNTIETLATTEFIKSYLMVKHPSLLIGNSGCGKTQLAK
GILKEIVQAKPENYAYQLINFNYYTDSTYLQGQIEQTLEKKAGRQYGPPG
KVQLIYFIDDLNMPQLDAYDTQTAIALLRQLADYGHFYDVSKLALKDIIN
TQVLAAMNPSAGSFFVNPRYQRHFWTISIPFPDNESLSLIYITFLNGHLK
RFKSTIQEYSNIIVRASLMLHQAVTQNFRKTAINFHYEFNLRHMSNVFQG
LLLSDPNKFTEPDKLIKLWIHECERTYGDRLVSTDNLKTYKENIFDIVKK
SFSKFNFSRYFGNNPENLIYCNFIAGINSDRFYDQMPNNEMEKHISEALK
EYNDNNAFMGLVLFEDAMKHVCRICRIVLPSSGHALLVGVGGSGKQSLSK
LASFIMGYTTFSITISATYSMVDLRNDLQQLYFKCGPKEEGILFLFTEGQ
ITNERFLVYINDLLSSGEIAELYTLDEKEAMINQVRAKVKGEGKPDTREN
CWNWFIDQVKKNLHMAICFSPVGDMRRRARQFPALVNCTVIDWFQPWPYE
ALFNVAKSFLEPVDLGDDKVREAVVKFMPFSFTLVNDLGLKLLEQERRYA
YTTPKSFLELISLFTNMLAQKRESLERNKERYETGLVKLKETAEQVAIIE
VEVKEKQVEAEAKKKEADAFAEVVGREKDKVEKENSKATIEADKCGLIKQ
NVEAQKSSTQQDLDAAQPLVEQAKSALNSISKKDFQQAKSFASPPAGVPE
VFAATIYLLAGYFNEAIEIDKNKKPKDVSWKSSLKLMKSPEEFMEKLLNF
KDVVDANQVANVNIVKNQYLNMPSFTPEQMASKSAAAKGICSWVVNIVKY
YDVIQDVEPKRKALKEATEQLEEATVKLNEVEEVVRKLNEELNKLKAEND
KAIAERNAAISEAERCARRLNLAQRLVTALSSENERWGKSIIQLEDQLKL
MVGDVLVASSFVSYSGPFNKKFRNIMINQNFMKFMKEHTIPMSPDPNPIK
ILTDESTIALWNKQKLPSDSVSIENGTILTNSARYPLMIDPQLQGITWIR
EKEKANNLKILRLGSKNINRDLELSIENGYSAIIENMNERIDAILMPIIA
RSFIKRGKNKIIKFAGKDLILHPNFKLFLHTKLSNPHYPPEIQAEAALIN
FTVTEAGLGDQLLSLVVARERPDLAKMKIELITQQNDFKIKLKDLEDELL
YKLANAKGDILDDIELIENLEYSKKLSVEIAEKVAAAKITEAKINETSEN
YRPAASRGALFYFLLSDLSKVHSFYKYSLESFIVVINRAIDAISENKIYG
KTTMMSPRSLKKRVDELIESLTYTAYQTTRRGLFESHKLIVAAMLCLRVL
LRSEELNSDEVDHLIIGKVDVNPTPMPDALKSFLNDNIWAACKALETIHQ
FQGFCQSLETDVLQWKKWYSEEKAETADLPKAFKELSKFHRLLLLRALRP
DRLPSALSQFVHDKMGERYIEQPPFNIFETFQETSKTVPIFFVLFPGVDP
TPDVERVAATFDVSANNGRFINISMGQGQEDRAKKALFDCAQKGHWIMLQ
NVHLMQSWLYGLNGLEGFLESVFASPKTHPNFRVFISSEPPNVLLPLMQI
IPESILQGSLKIANEAPQYLKANLRRAYNKFDQEFLDKCDKKPTEFKSCL
FALCFFHSLMLGRKKFGTQGWSRVYNFNDGDLTICADVLYNYLSKYDQVP
WDDLRYIFGEIMYGGHITDDWDRRTNRTYLKVLIRSELLQQNFNLAPQFK
SPDPSKFDYEAYRKYIEEKLPIESPQMFGMHPNAEIGYLTQTCDQVFNTI
LEVQGGSSGGGASKKDDGVMVTLTDFKTRCPHDFNMLLIEEKVKEKTPYI
VVCLQECERMNGLLKEIKTSLEDLRLGLTGALNMTDAMESLQQSLSFNKV
PDTWEKKAYFSKKPLSSWFADLIERNIQLQEWCKELVTPTSLCISYLFNP
MSYLTAIMQFTARAQGLPLDGITIQTNVTAMKGPEDVVNPAENGAYIHGL
FLEGAAWEIGGQGQDGYLIEQKPKELHPKMPVINAVAVPLDKKKKNGQYD
CPTYVTSARGQTFVFTANLNMESDDSDPNKWILSGTCMLMSDD
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 chain7kek Chain C Residue 4201 [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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PDB7kek Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.
Resolution8.0 Å
Binding residue
(original residue number in PDB)		L1657 D1658 F1663 G1687 G1689 K1690 S1691 T1692 Y1830 R2140 R2143
Binding residue
(residue number reindexed from 1)		L1536 D1537 F1542 G1566 G1568 K1569 S1570 T1571 Y1709 R2019 R2022
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:7kek, PDBe:7kek, PDBj:7kek
PDBsum7kek
PubMed34556869
UniProtI7M6H4

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