Structure of PDB 5i0i Chain B Binding Site BS02

Receptor Information
>5i0i Chain B (length=784) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NFFTEGTRVWLRENGQHFPSTVNSCAEGIVVFRTDYGQVFTYKQSTITHQ
KVTAMHPTNEEGVDDMASLTELHGGSIMYNLFQRYKRNQIYTYIGSILAS
VNPYQPIAGLYEPATMEQYSRRHLGELPPHIFAIANECYRCLWKRHDNQC
ILISGESGAGKTESTKLILKFLSVISQQSLELSLKEKTSCVERAILESSP
IMEAFGNAKTVYNNNSSRFGKFVQLNICQKGNIQGGRIVDYLLEKNRVVR
QNPGERNYHIFYALLAGLEHEEREEFYLSTPENYHYLNQSGCVEDKTISD
QESFREVITAMDVMQFSKEEVREVSRLLAGILHLGNIEFITAGGAQVSFK
TALGRSAELLGLDPTQLTDALTQRSMFLRGEEILTPLNVQQAVDSRDSLA
MALYACCFEWVIKKINSRIKGNEDFKSIGILDIFGFENFEVNHFEQFNIN
YANEKLQEYFNKHIFSLEQLEYSREGLVWEDIDWIDNGECLDLIEKKLGL
LALINEESHFPQATDSTLLEKLHSQHANNHFYVKPRVAVNNFGVKHYAGE
VQYDVRGILEKNRDTFRDDLLNLLRESRFDFIYDLFEHVSSRNNQDTLKC
GSKHRRPTVSSQFKDSLHSLMATLSSSNPFFVRCIKPNMQKMPDQFDQAV
VLNQLRYSGMLETVRIRKAGYAVRRPFQDFYKRYKVLMRNLALPEDVRGK
CTSLLQLYDASNSEWQLGKTKVFLRESLEQKLEKRREEEVSHAAMVIRAH
VLGFLARKQYRKVLYCVVIIQKNYRAFLLRRRFL
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 chain5i0i Chain B Residue 903 [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]
PDB5i0i The myosin X motor is optimized for movement on actin bundles.
Resolution3.15 Å
Binding residue
(original residue number in PDB)		N104 P105 Y106 G160 G162 K163 T164 E165 N215
Binding residue
(residue number reindexed from 1)		N102 P103 Y104 G158 G160 K161 T162 E163 N213
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) S157 G158 T162 N213 S216 S217 G435 E437
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:5i0i, PDBe:5i0i, PDBj:5i0i
PDBsum5i0i
PubMed27580874
UniProtQ9HD67|MYO10_HUMAN Unconventional myosin-X (Gene Name=MYO10)

[Back to BioLiP]