Structure of PDB 7k58 Chain B Binding Site BS02

Receptor Information
>7k58 Chain B (length=4516) Species: 5911 (Tetrahymena thermophila) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MGDHSQKDSPEDFIINRLSQALGIQKEKIKKSLETQQDDKGEVTNKDEFI
QQDNSTNILWVSGQSEKCTFYYGQLIDKFKKKGIAIKLGLHKLTNENVAK
DVVVVLLEHLNSVFNEIMSPVMQNPLNQQGWTDLVAKDLMEKFNNYVAQV
YVLLGQIKGKTMLPLPSHKLTSKDKAHVFEGSIITWTKQIKNVLKLEPEQ
LLKYGNDPGPLAEIEFWQNKRDNLNLIDSQLKSVEVQNILHFLKSTYTTP
FTKLQAEVKKARLEANENYRYLFTLKDLFSKLQESQPSDFPTLYELFIPI
MHTILLIYNKSKTYNQPPRLVVLIREICNAIISNAQAFVDKDTIFSLIDS
KETTEACDKLQVTLDVCSKFKDAYFEYKAKAGGNWKLTSNALFVRLDSFL
ERCQDILHLTNTIVQFNKLEKIELGGTKGKTLTESIAQIFKEFEEAVQAF
TSVSYDIMNIAEKKFDDDFYEFRSKIKELERRLASVITQGFDDYDTIYGR
FKLLDNFEGLLTRPIIADELEKKHIVLLEMYKQDLKQVQSIFLEGKQFVD
SMHENAPLFLNMPPIAGALTWCKSLRDRIQEPIEKLAQLGQGITEREEYK
DVQKLYTSITKSIKDYEDQKILSWEKEVEDSSQDKLKQTLLCKDENDLIK
VNFDPSLVRLLKEVKYFLLLRLEVPTTAKDIYTKAETYRTQIVALDMIVD
NYNHIKTCLLEPLVKKKIQDMEEEVKPGIEEIRWKSTNIDQFISKSKSIV
DQLFETVNKMKDSLQKIHKSLANFNVKIIERKNRPMSPDDYDQFLKAIFS
NKLTIVKDNGNQIQKLVKEVLDAVKADKKQNSWKNYNDYVNVIVIEGIST
AIQTALLHLNEQINPVFIKRNDISPLFDIRLELGQSGIQFDPEIGESSNQ
LTVRNTIRNWINDFFNIAGTIQRLDTTMPGDFLQEIRSFFEIKQCLAMIT
QNLEWIENECNQFRARFDTYSYLWTEDEQISFNRFLDNLDLFDEKITHLK
AIQQEISRIKTPEDISWLRINLQPMKTALDARVTRWIRVYTDFLVNQFRT
TQKNLLDFIEKTKDGIKKNPADHENLHDKKLLMSVMKVISDVKDVEPRRE
GIITRMKEMVTKLKKHNVPITEKGTDDPLQQIDNANSNFIEIYGRVFKVK
ADIIPLQAEETQNIKRDLDIFMKEVESFRKEFMQKSMGYENINNAYDTIM
VYYHKLTAIEGRALEYNNLEKLFELQKSNYKQLKDCMNDLKNLKTMWDAI
ALIHFQYNDWKTKPWRQIKADILLDTNKTLGTQIKNLPKEIRNFKGYNVI
VEKVKNMGTVLPLVSALHSEFMEDRHWSQLKQITGTVFDHNSLSFYFEDI
LALNLYKYENTVNEIVDVAQKEAKIEKKLKNIEQWWSKQVFEFTEYKETK
TFASLDNMMEVLDQHSLDLMGMKSQGKYVEFFYDRVEDWREKLGRVDVVV
NEWLKVQKNWKILYNIFLLSEDIRMQLPEDTKVFEGVDKEFKDMMSEVSA
NPSVVEACTIERRDVLVGWSQAIKKCEKALNDYLEQKKKSFPRFYFLSNQ
SLLTILSNGQNAPKVCEYLGDCFDGLKTLTFEPPANPAETSKVGIGMISK
DDEKVPFSSKFICEGAVEHWLLNLEFRMRETLQEILEGAKNTADLWDSGD
KPREEWVEGYNAQIALLTTTIVWTEDVGRAFEDLAGGSETAMKECQKLIE
VRLENLIKKVRGDLHILERWKIINIITIDVHSRDVVEKFVIQKVSEAESF
AWLSQLKFYWENKPDSDMHLRQTLRFPWEKDKNKNKCIIRIVDWFRFYSY
EYIGNAIRLVITPLTDRCYITLTQALNLTMGGAPAGPAGTGKTETTKDLG
RAIGIPVMVFNCSDQMNKDSMAQIFMGLSQSGAWGCFDEFNRISIEVLSV
VSTQVKCVLDALKEKKTKFSFVEEGEIQLQDTVGFFITMNPGYAGRTELP
ENLKALFRSCAMVVPDLALICENMLMSEGFTMARVLSRKFVSLYMLSREL
LSKQKHYDWGLRAVKSVLRQAGKLKRGDPDMPEDPLLMRALRDFNMPKIV
TDDKVIFRRLIGDLFPKLDPPTKQNPELKKIVQDTTKKDMGLVAEELFVT
KVVQLAEILEVRHCCFVIGPPGSGKTCVWKTLIKSYINSGEDAEYDTLNP
KAVTSDELFGAYTKTKEWKNGVIAVIMKNQVKNEEKYKATHMHKWSVLDG
DIDPEWIESLNTVMDDNKVLTLVSNDRIFLTPQMRLIFEISNLRNATPAT
VSRAGVLFINETDIGWMPYMNSWLERSQINILKQQKEMANMPEYPVIDDV
AKSVFYRCFQSYFEQNIDVHDKNRVRHICPMVDIAMIQTICTILDALLIQ
HLPKLKQMKEEDEKQALEAFFIFAGLWAIGGPVGGGQDDSKDMKEFNTVW
KGAAKVKFPEQGLCYDYYYDINENKWNTWKVEDYLPNDQPLFSKIYVATI
HTTRLRYMIDIHLQRRKPILFIGSAGTGKTAVVRDYLNSTRPEQVSHKTI
NFSSFTDSLALQKNIESMVEKKNGRNYGSATNKVLICFIDDFNMPYVDKY
GTQSPIQLLRLILDYGSIFNREQLEERKFLQDLLFFGCLNQKSGSFTVDL
RLQRNFSVFSMYTPSSDVIKTIFGSILNAHLSTIDDKAQKMAFKLVEATY
FTFDKILKNTTAFAPSAKRFHYQFNFRELARVCEGICRTTPGQYSGGDQG
KLVRLWAHEMKRTFEDRFIANEHVEFFRRYLTEAISKCIGEFPETENPIA
EPLIFTGFVAAHQGLDQQYTQCTIPVLKRVLDDKLEEYNEVKAQMNLVLF
QQAMEHVSRICRILDMPGNNALLVGVGGSGKQSLCRLSTFINGFEIDQLV
VTASFTINDLRNNLQEIYKKIAKPNSIARVFMITDSQIKEEQFLIPINDM
LNSGWIFDLFPKEDMDSLVSGVRNEAKGEGVDVNNLTALTSYFLDKIRKN
LKVVLCFSPVGDTMRIRSRKFPGIINNTSIDWFHPWPHEALIDVAFRFLE
EIEFPTEEIRQSISLNMAKVHSSIDTANEKFLKLERRYNYTTPKSFLELI
DFYKKLLTEKRETIQRQIQRYEMGLNILAETQNKVQGLQEELKVKMVEVN
KQREETDILIEKVGKESALAEEEQTIANAEEEKTNVAAAEAEKISKEATE
ALAEALPALRSAEAAVDCLKKPHVTEMKNLGSPPAGVIVTARVVLILFNQ
GITLNDPDEKVWKKAVTFMNNPQAFIDKVKSFDGENIEPNIIEQSNKIIQ
DPSKKFNEKDMAGQSYAASKLCAWAVNIVTFNKIFKQVKPLQDAQKQANE
ILEEKKKELAIVKQRVAELNARVNSLKRQLEEAEARKMIVEQDAARCQSR
LSAAENLVNGLAGENKRWTQNVKFLKENIKSMIGDSLLASAFVSYIGAFS
AKLRLELWKNTWLPDIIEKGIPITEGIEPLKILTTEAIKSKWKNEGLPAD
PMSLENAAIITACARWPLIIDPQLQGSTWIRGKQGENLTTISLSQPKWLG
ALTSSISSGRAVLIEGIQQEIDATLDPLLQRAVKKNGNQLQLEIGGDPID
YDPNFKLFLMTKLINPHFRPEIAAQCTIINFIVTESGLEEQFIAMVVNIE
KNELEMAKQDLVKKQNEYAVTLDKLESDLLQSLSEADPATILDNTELIQN
LDKTKKTTIEITEQQQKAKVTEAEINIQREHYRVVAAEGSMLYFLVISLS
VMDHMYQYSLESFITFFFKAINRTTVRDENRIPTLILNIRQTIYQWISRG
LFEKHKLIFLTLIVFRLMQKKIIDVAYEVAEMDFLIKCPARPGVENTLDW
LPNISWDQIQGLINLEEFRNFAHQLEKEAPNRFKDWYNELQPEDQKLPLD
WKRLDSMPFKKLLVLRCLRPDRMTISLNNFIRAVLPQGDAFVEMDQKLAF
SEILESVINEDSESTIPIFFILSPGSDPVKEVEKIAKKKRIEPGKNFFNI
ALGQGQDEIARRRIEEGNKEGHWVMLQNIHLMPTWLIELEKILDSYSGEA
GNSEFRLFLSAEPSTGIPIGILDRSIKLTNEPPAGLKANMKRAWTYFSKE
EIEDKDPKIKSILFALCFFHSTLIERRRFGPKGWNMSYPFNMGDLRDSYL
VMNRYMEQNQGGKVPFNDLIYIFGEIMYGGHIVDDWDRRLCNSYLFNTMH
EQLFDELELFPYIEGKGLSFKVPGQNPYEKYIEHIETSLKQETPLAYGLH
PNAEIGFRTDQCKTLFNTLLELMPKEQSRDIKSSNEMASDLIKQLLEDSE
LKNKIFNMEEIKNKIDAENKGPYQNVFLQEIEYMNALLSEIVKDLEEIGQ
GLSGLLTVSENMEMIIESIALSRVPASWQKLAYPSKRGLQSWLANLFQRI
EQLNIFRDDPYSIPRVVMISRFFNPQSFLTAIMQVISRAKAYELNKLYIQ
TEITKRSIEEIEGAAKEGAYVYGFILEGARWDYQLGQLEESKPKEMFSVL
PVTYCKAIPLPPEGKEDKSLYQCPVYKTEDRGNTYVFTAQLKTRFPPRKW
ILAGVAIIMDVEGVSD
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 chain7k58 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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PDB7k58 Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.
Resolution4.0 Å
Binding residue
(original residue number in PDB)		I2510 V2512 A2540 G2541 G2543 K2544 T2545 A2546 I2687 R2742
Binding residue
(residue number reindexed from 1)		I2445 V2447 A2475 G2476 G2478 K2479 T2480 A2481 I2622 R2677
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:7k58, PDBe:7k58, PDBj:7k58
PDBsum7k58
PubMed34556869
UniProtI7M9J2

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