Structure of PDB 4pjl Chain A Binding Site BS02

Receptor Information
>4pjl Chain A (length=760) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPVWAPHPTDGFQVGNIVDIGPDSLTIEPLNQKGKTFLALINQVFPAEED
SKKDVEDNCSLMYLNEATLLHNIKVRYSKDRIYTYVANILIAVNPYFDIP
KIYSSETIKSYQGKSLGTMPPHVFAIADKAFRDMKVLKLSQSIIVSGESG
AGKTENTKFVLRYLTESYGTGQDIDDRIVEANPLLEAFGNAKTVRNNNSS
RFGKFVEIHFNEKSSVVGGFVSHYLLEKSRICVQGKEERNYHIFYRLCAG
ASEDIRERLHLSSPDNFRYLNRGCTRYFANKETDKQILQNRKSPEYLKAG
SLKDPLLDDHGDFIRMCTAMKKIGLDDEEKLDLFRVVAGVLHLGNIDFEE
AGSTSGGCNLKNKSTQALEYCAELLGLDQDDLRVSLTTRVMVIKVPLKVE
QANNARDALAKTVYSHLFDHVVNRVNQCFPFETSSYFIGVLDIEGFEYFE
HNSFEQFCINYCNEKLQQFFNERILKEEQELYQKEGLGVNEVHYVDNQDC
IDLIEARLVGILDILDEENRLPQPSDQHFTSAVHQKHKDHFRLSIPRKSK
LAIHRNIRDDEGFIIRHFAGAVCYETTQFVEKNNDALHMSLESLICESRD
KFIRELFELSFISVGNKFKTQLNLLLDKLRSTGASFIRCIKPNLKMTSHH
FEGAQILSQLQCSGMVSVLDLMQGGFPSRASFHELYNMYKKYMPDKLARL
DPRLFCKALFKALGLNEIDYKFGLTKVFFRPGKFAEFDQIMKSDPDHLAE
LVKRVNHWLI
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 chain4pjl Chain A Residue 802 [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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PDB4pjl How actin initiates the motor activity of Myosin.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		N98 P99 G154 G156 K157 T158 E159 N200
Binding residue
(residue number reindexed from 1)		N94 P95 G150 G152 K153 T154 E155 N196
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S153 G154 T158 N200 S203 S204 G459 E461
Catalytic site (residue number reindexed from 1) S149 G150 T154 N196 S199 S200 G445 E447
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003774 cytoskeletal motor activity
GO:0005524 ATP binding
GO:0051015 actin filament binding
Cellular Component
GO:0016459 myosin complex

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4pjl, PDBe:4pjl, PDBj:4pjl
PDBsum4pjl
PubMed25936506
UniProtF1RQI7

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