Structure of PDB 5i0h Chain B Binding Site BS01
Receptor Information
>5i0h Chain B (length=723) Species:
9606
(Homo sapiens) [
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TEGTRVWLRENGQHFPSTVNVVFRTDYGQVFTYKQSTITHQKVTAMHPTN
EEGVDDMASLTELHGGSIMYNLFQRYKRNQIYTYIGSILASVNPYQPIAG
LYEPATMEQYSRRHLGELPPHIFAIANECYRCLWKRHDNQCILISGESGA
GKTESTKLILKFLSVISQQSLELSLKEKTSCVERAILESSPIMEAFGNAK
TVYNNNSSRFGKFVQLNICQKGNIQGGRIVDYLLEKNRVVRQNPGERNYH
IFYALLAGLEHEEREEFYLSTPENYHYLNQSGCVEDKTISDQESFREVIT
AMDVMQFSKEEVREVSRLLAGILHLGNIEFITAGGAQVSFKTALGRSAEL
LGLDPTQLTDALTQRSMFLRGEEILTPLNVQQAVDSRDSLAMALYACCFE
WVIKKINSRIKGNEDFKSIGILDIFGFENFEVNHFEQFNINYANEKLQEY
FNKHIFSLEQLEYSREGLVWEDIDWIDNGECLDLIEKKLGLLALINEESH
FPQATDSTLLEKLHSQHANNHFYVKPRVAVNNFGVKHYAGEVQYDVRGIL
EKNRDTFRDDLLNLLRESRFDFIYDLFEHVSSRNNQDTRRPTVSSQFKDS
LHSLMATLSSSNPFFVRCIKPNMQKMPDQFDQAVVLNQLRYSGMLETVRI
RKAGYAVRRPFQDFYKRYKVLMRNLALPEDVRGKCTSLLQLYDASNSEWQ
LGKTKVFLRESLEQKLEKRREEE
Ligand information
Ligand ID
ADP
InChI
InChI=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
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
5i0h Chain B Residue 801 [
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Receptor-Ligand Complex Structure
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PDB
5i0h
The myosin X motor is optimized for movement on actin bundles.
Resolution
1.8 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 score
4
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
PDBsum
5i0h
PubMed
27580874
UniProt
Q9HD67
|MYO10_HUMAN Unconventional myosin-X (Gene Name=MYO10)
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