Structure of PDB 7mgm Chain A Binding Site BS01

Receptor Information
>7mgm Chain A (length=2274) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KLTIDSLKMIKSSLSTFLERQRRQFPRFYFLGNDDLLKIIGSGKHHDQVS
KFMKKMFGSIESIIFFEDSITGVRSVEGEVLNLNEKIELKDSIQAQEWLN
ILDTEIKLSVFTQFRDCLGQLKDGTDIEVVVSKYIFQAILLSAQVMWTEL
VEKCLQTNEFSKYWKEVDMKIKGLLDKLNKSSDNVKKKIEALLVEYLHFN
NVIGQLKNCSTKEEARLLWAKVQKFYQKNDTLDDLNSVFISQSGYLLQYK
FEYIGIPERLIYTPLLLVGFATLTDSLHQKYGGCFFGPAGTGKTETVKAF
GQNLGRVVVVFNCDDSFDYQVLSRLLVGITQIGAWGCFDEFNRLDEKVLS
AVSANIQQIQNGLQVGKSHITLLEEETPLSPHTAVFITLNPGYNGRSELP
ENLKKSFREFSMKSPQSGTIAEMILQIMGFEDSKSLASKIVHFLELLSSK
CSSMNHYHFGLRTLKGVLRNCSPLVSEFGEGEKTVVESLKRVILPSLGDT
DELVFKDELSKIFDSNSKAIVQCLKDAGQRSGFSMSEEFLKKCMQFYYMQ
KTQQALILVGKAGCGKTATWKTVIDAMAIFDGHANVVYVIDTKVLTKESL
YGSMLKATLEWRDGLFTSILRRVNDDITGTFKNSRIWVVFDSDLDPEYVE
AMNSVLDDNKILTLPNGERLPIPPNFRILFETDNLDHTTPATITRCGLLW
FSTDVCSISSKIDHLLNKSYEALFELDKLKDLISDSFDMASLTNIFTCSN
DLVHILGVRTFNKLETAVQLAVHLISSYRQWFQNLDDKSLKDVITLLIKR
SLLYALAGDSTGESQRAFIQTINTYFGHDSQELSDYSTIVILSFSSFCSE
IPSVSLEAHEVMRPDIVIPTIDTIKHEKIFYDLLNSKRGIILCGPPGSGK
TMIMNNALRNSSLYDVVGINFSKDTTTEHILSALHRHTNYVTGLTLLPKS
DIKNLVLFCDQINLPKLDKYGSQNVVLFLRQLMEKQGFWKTPENKWVTIE
RIHIVGACNPPTDPGRIPMSERFTRHAAILYLGYPSGKSLSQIYEIYYKA
IFKLVPEFRSYTEPFARASVHLYNECKARYSTGLQSHYLFSPRELTRLVR
GVYTAINTGPRQTLRSLIRLWAYEAWRIFADRLVGVKEKNSFEQLLYETV
DKYLPLGNISSTSLLFSGLLSLDFKEVNKTDLVNFIEERFKTFCDEELEV
PMVIHESMVDHILRIDRALKQVQGHMMLIGASRTGKTILTRFVAWLNGLK
IVQPKIHRHSNLSDFDMILKKAISDCSLKESRTCLIIDESNILETAFLER
MNTLLANADIPDLFQGEEYDKLLNNLRNKTRSLGLLLDTEQELYDWFVGE
IAKNLHVVFTICDPTNNKSSAMISSPALFNRCIINWMGDWDTKTMSQVAN
NMVDVVPMEFTDFIVPEVNKELVFTEPIQTIRDAVVNILIHFDRNFYQKM
KVGVNPRSPGYFIDGLRALVKLVTAKYQDLQENQRFVNVGLEKLNESVLK
VNELLDRSISLVKSLTFEKERWLNTTKQFSKTSQELIGNCIISSIYETYF
GHLNERERGDMLVILKRLLGKFAVKYDVNYRFIDYLVTLDEKMKWLECGL
DKNDYFLENMSIVMNSQDAVPFLLDPSSHMITVISNYYGNKTVLLSFLEE
GFVKRLENAVRFGSVVIIQDGEFFDPIISRLISREFNHAGNRVTVEIGDH
EVDVSGDFKLFIHSCDPSGDIPIFLRSRVRLVHFVTNKESIETRIFDITL
TEENAEMQRKREDLIKLNTEYRLKLKNLEKRLLEELNNSELMVTLNNLKK
EAMNIEKKLSESEEFFPQFDNLVEEYSIIGKHSVKIFSMLEKFGQFHWFY
GISIGQFLSCFKRVFIKTRVDEILWLLYQEVYCQFSTALDKKFKMIMAMT
MFCLYKFDIESEQYKEAVLTMIGVLSESSDGVPKLTNDDLRYLWDYVTTK
SYISALNWFKNEFFVDEWNIADVVANSENNYFTMASERDVDGTFKLIELA
KASKESLKIIPLGSIENLNYAQEEISKSKIEGGWILLQNIQMSLSWVKTY
LHKHVEEHEKFKMFMTCHLTGDKLPAPLLQRTDRVVYEDIPGILDTVKDL
WGSQGVWSVYCTFLLSWFHALITARTRLVPHGFSKKYYFNDCDFQFASVY
LENVLATNSTNNIPWAQVRDHIATIVYGGKIDEEKDLEVVAKLCAHVFCG
SDNLQIVPGVRIPQPLLQQSEEEERARLTAILSNTIEPADSLSSWLQLPR
ESILDYERLQAKEVASSTEQLLQE
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 chain7mgm Chain A Residue 4101 [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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PDB7mgm Structural basis for cytoplasmic dynein-1 regulation by Lis1.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		L1769 I1770 G1799 G1801 K1802 T1803 E1804 E1849 N1899 I1929 L1970 R1971 D2172 R2209
Binding residue
(residue number reindexed from 1)		L260 I261 G290 G292 K293 T294 E295 E340 N390 I420 L461 R462 D658 R695
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:0007018 microtubule-based movement
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:7mgm, PDBe:7mgm, PDBj:7mgm
PDBsum7mgm
PubMed34994688
UniProtP36022|DYHC_YEAST Dynein heavy chain, cytoplasmic (Gene Name=DYN1)

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