Structure of PDB 7k5b Chain B Binding Site BS01

Receptor Information
>7k5b Chain B (length=4524) Species: 5911 (Tetrahymena thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGDHSQKDSPEDFIINRLSQALGIQKEKIKKSLETAQDDKGEVTNKDEFQ
GFIQQDNSTNILWVSGQSEKCTFYYGQLPPIDKFKKKGIAIKLGLHKLTN
ENVAKDVVVVLLEHLNSVFNEIMSPVMQNPLNQQGWTDLVAKDLMEKFNN
YVAQVYVLLGQIKGKTMLPLPSHKLTSKDKAHVFEGSIITWTKQIKNVLK
LEPEQLLKYGNDPGPLAEIEFWQNKRDNLNLIDSQLKSVEVQNILHFLKS
TYTTPFTKLQAEVKKARLEANENYRYLFTLKDLFSKLQESQPSDFPTLYE
LFIPIMHTILLIYNKSKTYNQPPRLVVLIREICNAIISNAQAFVDKDTIF
SLIDSKETTEACDKLQVTLDVCSKFKDAYFEYKAKAGGNWKLTSNALFVR
LDSFLERCQDILHLTNTIVQFNKLEKIELGGTKGKTLTESIAQIFKEFEE
AVQAFTSVSYDIMNIAEKKFDDDFYEFRSKIKELERRLASVITQGFDDYD
TIYGRFKLLDNFEGLLTRPIIADELEKKHIVLLEMYKQDLKQVQSIFLEG
KQFVDSMHENAPLFLNMPPIAGALTWCKSLRDRIQEPIEKLAQLGQGITE
REEYKDVQKLYTSITKSIKDYEDQKILSWEKEVEDSSQDKLKQTLLCKDE
NDLIKVNFDPSLVRLLKEVKYFLLLRLEVPTTAKDIYTKAETYRTQIVAL
DMIVDNYNHIKTCLLPVEEPLVKKKIQDMEEEVKPGIEEIRWKSTNIDQF
ISKSKSIVDQLFETVNKMKDSLQKIHKSLANFNVKIIERKNRPMSPDDYD
QFLKAIFSNKLTIVKDNGNQIQKLVKEVLDAVKADKKQNSWKNYNDYVNV
IVIEGISTAIQTALLHLNEQINPVFIKRNDISPLFDIRLELGQSGIQFDP
EIGESSNQLTVRNTIRNWINDFFNIAGTIQRLDTTMPGDFLQEIRSFFEI
KQCLAMITQNLEWIENECNQFRARFDTYSYLWTEDEQISFNRFLDNLDLF
DEKITHLKAIQQEISRIKTPEDISWLRINLQPMKTALDARVTRWIRVYTD
FLVNQFRTTQKNLLDFIEKTKDGIKKNPADHENLHDKKLLMSVMKVISDV
KDVEPRREGIITRMKEMVTKLKKHNVPITEKGTDDPLQQIDNANSNFIEI
YGRVFKVKADIIPLQAEETQNIKRDLDIFMKEVESFRKEFMQKSMGYENI
NNAYDTIMVYYHKLTAIEGRALEYNNLEKAFELQKSNYKQLKDCMNDLKN
LKTMWDAIALIHFQYNDWKTKPWRQIKADILLDTNKTLGTQIKNLPKEIR
NFKGYNVIVEKVKNMGTVLPLVSALHSEFMEDRHWSQLKQITGTVFDHNS
LSFYFEDILALNLYKYENTVNEIVDVAQKEAKIEKKLKNIEQWWSKQVFE
FTEYKETKTFASLDNMMEVLDQHSLDLMGMKSQGKYVEFFYDRVEDWREK
LGRVDVVVNEWLKVQKNWKILYNIFLLSEDIRMQLPEDTKVFEGVDKEFK
DMMSEVSANPSVVEACTIERRDVLVGWSQAIKKCEKALNDYLEQKKKSFP
RFYFLSNQSLLTILSNGQNAPKVCEYLGDCFDGLKTLTFEPPANPAETSK
VGIGMISKDDEKVPFSSKFICEGAVEHWLLNLEFRMRETLQEILEGAKNT
ADLWDSGDKPREEWVEGYNAQIALLTTTIVWTEDVGRAFEDLAGGSETAM
KECQKLIEVRLENLIKKVRGDLHILERWKIINIITIDVHSRDVVEKFVIQ
KVSEAESFAWLSQLKFYWENKPDSDMHLRQTLRFPWEKDKNKNKCIIRIV
DWFRFYSYEYIGNAIRLVITPLTDRCYITLTQALNLTMGGAPAGPAGTGK
TETTKDLGRAIGIPVMVFNCSDQMNKDSMAQIFMGLSQSGAWGCFDEFNR
ISIEVLSVVSTQVKCVLDALKEKKTKFSFVEEGEIQLQDTVGFFITMNPG
YAGRTELPENLKALFRSCAMVVPDLALICENMLMSEGFTMARVLSRKFVS
LYMLSRELLSKQKHYDWGLRAVKSVLRQAGKLKRGDPDMPEDPLLMRALR
DFNMPKIVTDDKVIFRRLIGDLFPKLDPPTKQNPELKKIVQDTTKKDMGL
VAEELFVTKVVQLAEILEVRHCCFVIGPPGSGKTCVWKTLIKSYINSGED
AEYDTLNPKAVTSDELFGAYTKTKEWKNGVIAVIMKNQVKNEEKYKATHM
HKWSVLDGDIDPEWIESLNTVMDDNKVLTLVSNDRIFLTPQMRLIFEISN
LRNATPATVSRAGVLFINETDIGWMPYMNSWLERSQINILKQQKEMANMP
EYPVIDDVAKSVFYRCFQSYFEQNIDVHDKNRVRHICPMVDIAMIQTICT
ILDALLIQHLPKLKQMKEEDEKQALEAFFIFAGLWAIGGPVGGGQDDSKD
MKEFNTVWKGAAKVKFPEQGLCYDYYYDINENKWNTWKVEDYLPNDQPLF
SKIYVATIHTTRLRYMIDIHLQRRKPILFIGSAGTGKTAVVRDYLNSTRP
EQVSHKTINFSSFTDSLALQKNIESMVEKKNGRNYGSATNKVLICFIDDF
NMPYVDKYGTQSPIQLLRLILDYGSIFNREQLEERKFLQDLLFFGCLNQK
SGSFTVDLRLQRNFSVFSMYTPSSDVIKTIFGSILNAHLSTIDDKAQKMA
FKLVEATYFTFDKILKNTTAFAPSAKRFHYQFNFRELARVCEGICRTTPG
QYSGGDQGKLVRLWAHEMKRTFEDRFIANEHVEFFRRYLTEAISKCIGEF
PETENPIAEPLIFTGFVAAHQGLDQQYTQCTIPVLKRVLDDKLEEYNEVK
AQMNLVLFQQAMEHVSRICRILDMPGNNALLVGVGGSGKQSLCRLSTFIN
GFEIDQLVVTASFTINDLRNNLQEIYKKIAKPNSIARVFMITDSQIKEEQ
FLIPINDMLNSGWIFDLFPKEDMDSLVSGVRNEAKGEGVDVNNLTALTSY
FLDKIRKNLKVVLCFSPVGDTMRIRSRKFPGIINNTSIDWFHPWPHEALI
DVAFRFLEEIEFPTEEIRQSISLNMAKVHSSIDTANEKFLKLERRYNYTT
PKSFLELIDFYKKLLTEKRETIQRQIQRYEMGLNILAETQNKVQGLQEEL
KVKMVEVNKQREETDILIEKVGKESALAEEEQTIANAEEEKTNVAAAEAE
KISKEATEALAEALPALRSAEAAVDCLKKPHVTEMKNLGSPPAGVIVTAR
VVLILFNQGITLNDPDEKVWKKAVTFMNNPQAFIDKVKSFDGENIEPNII
EQSNKIIQDPSKKFNEKDMAGQSYAASKLCAWAVNIVTFNKIFKQVKPLQ
DAQKQANEILEEKKKELAIVKQRVAELNARVNSLKRQLEEAEARKMIVEQ
DAARCQSRLSAAENLVNGLAGENKRWTQNVKFLKENIKSMIGDSLLASAF
VSYIGAFSAKLRLELWKNTWLPDIIEKGIPITEGIEPLKILTTEAIKSKW
KNEGLPADPMSLENAAIITACARWPLIIDPQLQGSTWIRGKQGENLTTIS
LSQPKWLGALTSSISSGRAVLIEGIQQEIDATLDPLLQRAVKKNGNQLQL
EIGGDPIDYDPNFKLFLMTKLINPHFRPEIAAQCTIINFIVTESGLEEQF
IAMVVNIEKNELEMAKQDLVKKQNEYAVTLDKLESDLLQSLSEADPATIL
DNTELIQNLDKTKKTTIEITEQQQKAKVTEAEINIQREHYRVVAAEGSML
YFLVISLSVMDHMYQYSLESFITFFFKAINRTTVRDENRIPTLILNIRQT
IYQWISRGLFEKHKLIFLTLIVFRLMQKKIIDVAYEVAEMDFLIKCPARP
GVENTLDWLPNISWDQIQGLINLEEFRNFAHQLEKEAPNRFKDWYNELQP
EDQKLPLDWKRLDSMPFKKLLVLRCLRPDRMTISLNNFIRAVLPQGDAFV
EMDQKLAFSEILESVINEDAESTIPIFFILSPGSDPVKEVEKIAKKKRIE
PGKNFFNIALGQGQDEIARRRIEEGNKEGHWVMLQNIHLMPTWLIELEKI
LDSYSGEAGNSEFRLFLSAEPSTGIPIGILDRSIKLTNEPPAGLKANMKR
AWTYFSKEEIEDKDPKIKSILFALCFFHSTLIERRRFGPKGWNMSYPFNM
GDLRDSYLVMNRYMEQNQGGKVPFNDLIYIFGEIMYGGHIVDDWDRRLCN
SYLFNTMHEQLFDELELFPYIEGKGLSFKVPGQNPYEKYIEHIETSLKQE
TPLAYGLHPNAEIGFRTDQCKTLFNTLLELMPKEQSRDIKSSNEMASDLI
KQLLEDSELKNKIFNMEEIKNKIDAENKGPYQNVFLQEIEYMNALLSEIV
KDLEEIGQGLSGLLTVSENMEMIIESIALSRVPASWQKLAYPSKRGLQSW
LANLFQRIEQLNIFRDDPYSIPRVVMISRFFNPQSFLTAIMQVISRAKAY
ELNKLYIQTEITKRSIEEIEGAAKEGAYVYGFILEGARWDYQLGQLEESK
PKEMFSVLPVTYCKAIPLPPEGKEDKSLYQCPVYKTEDRGNTYVFTAQLK
TRFPPRKWILAGVAIIMDVEGVSD
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 chain7k5b Chain B Residue 5501 [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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PDB7k5b Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.
Resolution4.5 Å
Binding residue
(original residue number in PDB)		I2510 V2512 A2540 G2543 K2544 T2545 A2546 R2742
Binding residue
(residue number reindexed from 1)		I2453 V2455 A2483 G2486 K2487 T2488 A2489 R2685
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008569 minus-end-directed microtubule motor 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:7k5b, PDBe:7k5b, PDBj:7k5b
PDBsum7k5b
PubMed34556869
UniProtI7M9J2

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