Structure of PDB 4pfo Chain A Binding Site BS02

Receptor Information
>4pfo Chain A (length=755) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPVWAPHPTDGFQVGNIVDIGPDSLTIEPLNQKGKTFLALINQVFPAEED
SKKDVEDNCSLMYLNEATLLHNIKVRYSKDRIYTYVANILIAVNPYFDIP
KIYSSETIKSYQGKSLGTMPPHVFAIADKAFRDMKVLKLSQSIIVSGESG
AGKTENTKFVLRYLTESYGTDRIVEANPLLEAFGNAKTVRNNNSSRFGKF
VEIHFNEKSSVVGGFVSHYLLEKSRICVQGKEERNYHIFYRLCAGASEDI
RERLHLSSPDNFRYLNRGCTRYFANKETDKQILQNRKSPEYLKAGSLKDP
LLDDHGDFIRMCTAMKKIGLDDEEKLDLFRVVAGVLHLGNIDFEEAGSTS
GGCNLKNKSTQALEYCAELLGLDQDDLRVSLTTRVMVIKVPLKVEQANNA
RDALAKTVYSHLFDHVVNRVNQCFPFETSSYFIGVLDIAGFEYFEHNSFE
QFCINYCNEKLQQFFNERILKEEQELYQKEGLGVNEVHYVDNQDCIDLIE
ARLVGILDILDEENRLPQPSDQHFTSAVHQKHKDHFRLSIPRKSKLAIHR
NIRDDEGFIIRHFAGAVCYETTQFVEKNNDALHMSLESLICESRDKFIRE
LFELSFISVGNKFKTQLNLLLDKLRSTGASFIRCIKPNLKMTSHHFEGAQ
ILSQLQCSGMVSVLDLMQGGFPSRASFHELYNMYKKYMPDKLARLDPRLF
CKALFKALGLNEIDYKFGLTKVFFRPGKFAEFDQIMKSDPDHLAELVKRV
NHWLI
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 chain4pfo 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

[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]
PDB4pfo How actin initiates the motor activity of Myosin.
Resolution1.75 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 N191
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 N191 S194 S195 G440 E442
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:4pfo, PDBe:4pfo, PDBj:4pfo
PDBsum4pfo
PubMed25936506
UniProtF1RQI7

[Back to BioLiP]