Structure of PDB 4rh7 Chain A Binding Site BS03

Receptor Information
>4rh7 Chain A (length=3005) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QGEVTIREALRELDLWGVGAVFTLIDYEDSQSRTMKLIKDWKDIVNQVGD
NRCLLQSLKDSPYYKGFEDKVSIWERKLAELDEYLQNLNHIQRKWVYLEP
IFGRGALPKEQTRFNRVDEDFRSIMTDIKKDNRVTTLTTHAGIRNSLLTI
LDQLQRCQRSLNEFLEEKRSAFPRFYFIGDDDLLEILGQSTNPSVIQSHL
KKLFAGINSVCFDEKSKHITAMKSLEGEVVPFKNKVPLSNNVETWLNDLA
LEMKKTLEQLLKECVTTGRSSQGAVDPSLFPSQILCLAEQIKFTEDVENA
IKDHSLHQIETQLVNKLEQYTNIDTSSEDPGNTESGILELKLKALILDII
HNIDVVKQLNQIQVHTTEDWAWKKQLRFYMKSDHTCCVQMVDSEFQYTYE
YQGNASKLVYTPLTDKCYLTLTQAMKMGLGGNPYGPAGTGKTESVKALGG
LLGRQVLVFNCDEGIDVKSMGRIFVGLVKCGAWGCFDEFNRLEESVLSAV
SMQIQTIQDALKNHRTVCELLGKEVEVNSNSGIFITMNPAGKGYGGRQKL
PDNLKQLFRPVAMSHPDNELIAEVILYSEGFKDAKVLSRKLVAIFNLSRE
LLTPQQHYDWGLRALKTVLRGSGNLLRQLNKSGTTQNANESHIVVQALRL
NTMSKFTFTDCTRFDALIKDVFPGIELKEVEYDELSAALKQVFEEANYEI
IPNQIKKALELYEQLCQRMGVVIVGPSGAGKSTLWRMLRAALCKTGKVVK
QYTMNPKAMPRYQLLGHIDMDTREWSDGVLTNSARQVVREPQDVSSWIIC
DGDIDPEWIESLNSVLDDNRLLTMPSGERIQFGPNVNFVFETHDLSCASP
ATISRMGMIFLSDEETDLNSLIKSWLRNQPAEYRNNLENWIGDYFEKALQ
WVLKQNDYVVETSLVGTVMNGLSHLHGCRDHDEFIINLIRGLGGNLNMKS
RLEFTKEVFHWARESPPDFHKPMDTYYDSTRGRLATYVLKKPEDLTADDF
SNGLTLPVIQTPDMQRGLDYFKPWLSSDTKQPFILVGPEGCGKGMLLRYA
FSQLRSTQIATVHCSAQTTSRHLLQKLSQTCMVISTNTGRVYRPKDCERL
VLYLKDINLPKLDKWGTSTLVAFLQQVLTYQGFYDENLEWVGLENIQIVA
SMSAGGRLGRHKLTTRFTSIVRLCSIDYPEREQLQTIYGAYLEPVLHKNL
KNHSIWGSSSKIYLLAGSMVQVYEQVRAKFTVDDYSHYFFTPCILTQWVL
GLFRYDLEGGSSNHPLDYVLEIVAYEARRLFRDKIVGAKELHLFDIILTS
VFQGDWGSDILDNMSDSFYVTWGARHNSGAPGQPLPPHGKPLGKLNSTDL
KDVIKKGLIHYGRDNQNLDILLFHEVLEYMSRIDRVLSFPGGSLLLAGRS
GVGRRTITSLVSHMHGAVLFSPKISRGYELKQFKNDLKHVLQLAGIEAQQ
VVLLLEDYQFVHPTFLEMINSLLSSGEVPGLYTLEELEPLLLPLKDQASQ
DGFFGPVFNYFTYRIQQNLHIVLIMDSANSNFMINCESNPALHKKCQVLW
MEGWSNSSMKKIPEMLFSEVDPDFLKSFLLIHESCKAYGATPSQYMTFLH
VYSAISSSKKKELLKRQSHLQAGVSKLNEAKALVDELNRKAGEQSVLLKT
KQDEADAALQMITVSMQDASEQKTELERLKHRIAEEVVKIEERKNKIDDE
LKEVQPLVNEAKLAVGNIKPESLSEIRSLRMPPDVIRDILEGVLRLMGIF
DTSWVSMKSFLAKRGVREDIATFDARNISKEIRESVEELLFKNKGSFDPK
NAKRASTAAAPLAAWVKANIQYSHVLERIHPLETEQAGLESNLKKTEDRK
RKLEELLNSVGQKVSELKEKFQSRTSEAAKLEAEVSKAQETIKAAEVLIN
QLDREHKRWNAQVVEITEELATLPKRAQLAAAFITYLSAAPESLRKTCLE
EWTKSAGLEKFDLRRFLCTESEQLIWKSEGLPSDDLSIENALVILQSRVC
PFLIDPSSQATEWLKTHLKDSRLEVINQQDSNFITALELAVRFGKTLIIQ
EMDGVEPVLYPLLRRDLVAQGPRYVVQIGDKIIDYNEEFRLFLSTRNPNP
FIPPDAASIVTEVNFTTTRSGLRGQLLALTIQHEKPDLEEQKTKLLQQEE
DKKIQLAKLEESLLETLATSQGNILENKDLIESLNQTKASSALIQESLKE
SYKLQISLDQERDAYLPLAESASKMYFIISDLSKINNMYRFSLAAFLRLF
QRALQNKQDSENTEQRIQSLISSLQHMVYEYICRCLFKADQLMFALHFVR
GMHPELFQENEWDTFTGVDQLPSWIDQERSWAVATLKIALPSLYQTLCFE
DAALWRTYYNNSMCEQEFPSILAKKVSLFQQILVVQVLRPDRLQSAMALF
ACKTLGLKEVSPLPLNLKRLYKETLEIEPILIIISPGADPSQELQELANA
ERSGECYHQVAMGQGQADLAIQMLKECARNGDWLCLKNLHLVVSWLPVLE
KELNTLQPKDTFRLWLTAEVHPNFTPILLQSSLKITYESPPGLKKNLMRT
YESWTPEQISKKDNTHRAHALFSLAWFHAACQERRNYIPQGWTKFYEFSL
SDLRAGYNIIDRLFDGAKDVQWEFVHGLLENAIYGGRIDNYFDLRVLQSY
LKQFFNSSVIIFPYSVSLPQSCSILDYRAVIEKIPEDDKPSFFGLPANIA
RSSQRMISSQVISQLRILGRSITAGSKFDREIWSNELSPVLNLWKKLNQN
SNLIHQKVPPPNDRQGSPILSFIILEQFNAIRLVQSVHQSLAALSKVIRG
TTLLSSEVQKLASALLNQKCPLAWQSKWEGPEDPLQYLRGLVARALAIQN
WVDKAEKQALLSETLDLSELFHPDTFLNALRQETARAVGRSVDSLKFVAS
WKGRLQEAKLQIKISGLLLEGCSFDGNQLSENQLDSPSVSSVLPCFMGWI
PQDACGPYSPDECISLPVYTSAERDRVVTNIDVPCGGNQDQWIQCGAALF
LKNQV
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 chain4rh7 Chain A Residue 4403 [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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PDB4rh7 Structure of human cytoplasmic dynein-2 primed for its power stroke.
Resolution3.41 Å
Binding residue
(original residue number in PDB)		F1947 Y1952 E1953 Q1958 S1981 G1982 G1984 K1985 S1986 T1987 E2095 L2125 R2420
Binding residue
(residue number reindexed from 1)		F693 Y698 E699 Q704 S727 G728 G730 K731 S732 T733 E841 L871 R1166
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:0006091 generation of precursor metabolites and energy
GO:0007018 microtubule-based movement
GO:0008218 bioluminescence
Cellular Component
GO:0030286 dynein complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4rh7, PDBe:4rh7, PDBj:4rh7
PDBsum4rh7
PubMed25470043
UniProtQ8NCM8|DYHC2_HUMAN Cytoplasmic dynein 2 heavy chain 1 (Gene Name=DYNC2H1)

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