Structure of PDB 6f38 Chain A Binding Site BS01

Receptor Information
>6f38 Chain A (length=370) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IANQPVVIDNGSGVIKAGFAGDQIPKYCFPNYVGRPKHVRVMAGALEGDI
FIGPKAEEHRGLLSIRYPMEHGIVKDWNDMERIWQYVYSKDQLQTFSEEH
PVLLTEAPLNPRKNRERAAEVFFETFNVPALFISMQAVLSLYATGRTTGV
VLDSGDGVTHAVPIYEGFAMPHSIMRIDIAGRDVSRFLRLYLRKEGYDFH
SSSEFEIVKAIKERACYLSINPQKDETLETEKAQYYLPDGSTIEIGPSRF
RAPELLFRPDLIGEESEGIHEVLVFAIQKSDMDLRRTLFSNIVLSGGSTL
FKGFGDRLLSEVKKLAPKDVKIRISAPQERLYSTWIGGSILASLDTFKKM
WVSKKEYEEDGARSIHRKTF
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 chain6f38 Chain A Residue 800 [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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PDB6f38 Cryo-EM shows how dynactin recruits two dyneins for faster movement.
Resolution6.7 Å
Binding residue
(original residue number in PDB)		N16 G17 S160 G161 D162 E219 G303 S304 L306
Binding residue
(residue number reindexed from 1)		N10 G11 S154 G155 D156 E213 G297 S298 L300
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6f38, PDBe:6f38, PDBj:6f38
PDBsum6f38
PubMed29420470
UniProtF2Z5G5|ACTZ_PIG Alpha-centractin (Gene Name=ACTR1A)

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