Structure of PDB 7k5b Chain B Binding Site BS02

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 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 chain7k5b Chain B Residue 5601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		L2157 P2186 G2187 S2188 G2189 K2190 T2191 C2192 E2304 P2333 Y2334 I2399 R2666
Binding residue
(residue number reindexed from 1)		L2100 P2129 G2130 S2131 G2132 K2133 T2134 C2135 E2247 P2276 Y2277 I2342 R2609
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

[Back to BioLiP]