Structure of PDB 7pme Chain A Binding Site BS01

Receptor Information
>7pme Chain A (length=747) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELYTKYARVWIPDPEEVWKSAELLKDYKPDKVLQLRLEKDLEYCLDPKEL
PPLRNPDILVGENDLTALSYLHEPAVLHNLKVRFIDSKLIYTYCGIVLVA
INPYEQLPIYGEDIINAYSGQNMGDMDPHIFAVAEEAYKQMARDERNQSI
IVSGESGAGKTVSAKYAMRYFATVSGSANVEEKVLASNPIMESIGNAKTT
RNDNSSRFGKYIEIGFDKRYRIIGANMRTYLLEKSRVVFQAEEERNYHIF
YQLCASAALPEFKTLRLGNANYFHYTKQGGSPVIDGIDDAKEMVNTRQAC
TLLGISDSYQMGIFRILAGILHLGNVEFASRDSDSCAIPPKHDPLTIFCD
LMGVDYEEMAHWLCHRKLATATETYIKPISKLHAINARDALAKHIYANLF
NWIVDHVNKALHSTVKQHSFIGVLDIYGFETFEINSFEQFCINYANEKLQ
QQFNMHVFKLEQEEYMKEQIPWTLIDFYDNQPCINLIEAKMGVLDLLDEE
CKMPKGSDDTWAQKLYNTHLNKCALFEKPRLSNKAFIIKHFADKVEYQCE
GFLEKNKDTVYEEQIKVLKSSKKFKLLPELFQDSKEHKKTVGHQFRNSLH
LLMETLNATTPHYVRCIKPNDFKFPFTFDEKRAVQQLRACGVLETIRISA
AGFPSRWTYQEFFSRYRVLMKQKDVLSDRKQTCKNVLEKLILDKDKYQFG
KTKIFFRAGQVAYLEKIRADKLRAACIRIQKTIRGWLMRKKYMRMRR
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain7pme Chain A Residue 1901 [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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PDB7pme High-resolution structures of the actomyosin-V complex in three nucleotide states provide insights into the force generation mechanism.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		N111 P112 E114 Y119 S165 G166 G168 T170 V171
Binding residue
(residue number reindexed from 1)		N102 P103 E105 Y110 S156 G157 G159 T161 V162
Annotation score4
Enzymatic activity
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:7pme, PDBe:7pme, PDBj:7pme
PDBsum7pme
PubMed34812732
UniProtQ02440|MYO5A_CHICK Unconventional myosin-Va (Gene Name=MYO5A)

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