Structure of PDB 5i0h Chain B Binding Site BS01

Receptor Information
>5i0h Chain B (length=723) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEGTRVWLRENGQHFPSTVNVVFRTDYGQVFTYKQSTITHQKVTAMHPTN
EEGVDDMASLTELHGGSIMYNLFQRYKRNQIYTYIGSILASVNPYQPIAG
LYEPATMEQYSRRHLGELPPHIFAIANECYRCLWKRHDNQCILISGESGA
GKTESTKLILKFLSVISQQSLELSLKEKTSCVERAILESSPIMEAFGNAK
TVYNNNSSRFGKFVQLNICQKGNIQGGRIVDYLLEKNRVVRQNPGERNYH
IFYALLAGLEHEEREEFYLSTPENYHYLNQSGCVEDKTISDQESFREVIT
AMDVMQFSKEEVREVSRLLAGILHLGNIEFITAGGAQVSFKTALGRSAEL
LGLDPTQLTDALTQRSMFLRGEEILTPLNVQQAVDSRDSLAMALYACCFE
WVIKKINSRIKGNEDFKSIGILDIFGFENFEVNHFEQFNINYANEKLQEY
FNKHIFSLEQLEYSREGLVWEDIDWIDNGECLDLIEKKLGLLALINEESH
FPQATDSTLLEKLHSQHANNHFYVKPRVAVNNFGVKHYAGEVQYDVRGIL
EKNRDTFRDDLLNLLRESRFDFIYDLFEHVSSRNNQDTRRPTVSSQFKDS
LHSLMATLSSSNPFFVRCIKPNMQKMPDQFDQAVVLNQLRYSGMLETVRI
RKAGYAVRRPFQDFYKRYKVLMRNLALPEDVRGKCTSLLQLYDASNSEWQ
LGKTKVFLRESLEQKLEKRREEE
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 chain5i0h Chain B Residue 801 [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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PDB5i0h The myosin X motor is optimized for movement on actin bundles.
Resolution1.8 Å
Binding residue
(original residue number in PDB)
N104 P105 Y106 G160 G162 K163 T164 E165 N215
Binding residue
(residue number reindexed from 1)
N93 P94 Y95 G149 G151 K152 T153 E154 N204
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S159 G160 T164 N215 S218 S219 G437 E439
Catalytic site (residue number reindexed from 1) S148 G149 T153 N204 S207 S208 G426 E428
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003774 cytoskeletal motor activity
GO:0005524 ATP binding
Cellular Component
GO:0016459 myosin complex

View graph for
Molecular Function

View graph for
Cellular Component
External links
PDB RCSB:5i0h, PDBe:5i0h, PDBj:5i0h
PDBsum5i0h
PubMed27580874
UniProtQ9HD67|MYO10_HUMAN Unconventional myosin-X (Gene Name=MYO10)

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