Structure of PDB 4rh7 Chain A Binding Site BS06

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 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 chain4rh7 Chain A Residue 4406 [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)		I2627 L2628 G2660 R2661 R2662 T2663 M2873
Binding residue
(residue number reindexed from 1)		I1370 L1371 G1403 R1404 R1405 T1406 M1596
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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