Structure of PDB 1w7i Chain A Binding Site BS01

Receptor Information
>1w7i Chain A (length=750) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELYTKYARVWIPDPEEVWKSAELLKDYKPGDKVLQLRLEEGKDLEYCLDP
KTKELPPLRNPDILVGENDLTALSYLHEPAVLHNLKVRFIDSKLIYTYCG
IVLVAINPYEQLPIYGEDIINAYSGQNMGDMDPHIFAVAEEAYKQMARDE
RNQSIIVSGESGAGKTVSAKYAMRYFATVSGSASEANVEEKVLASNPIME
SIGNAKTTRNDNSSRFGKYIEIGFDKRYRIIGANMRTYLLEKSRVVFQAE
EERNYHIFYQLCASAALPEFKTLRLGNANYFHYTKQGGSPVIDGIDDAKE
MVNTRQACTLLGISDSYQMGIFRILAGILHLGNVEFASRDSDSCAIPPKH
DPLTIFCDLMGVDYEEMAHWLCHRKLATYIKPISKLHAINARDALAKHIY
ANLFNWIVDHVNKALHSTVKQHSFIGVLDIYGFETFEINSFEQFCINYAN
EKLQQQFNMHVFKLEQEEYMKEQIPWTLIDFYDNQPCINLIEAKMGVLDL
LDEECKMPKGSDDTWAQKLYNTHLNKCALFEKPRLSNKAFIIKHFADKVE
YQCEGFLEKNKDTVYEEQIKVLKSSKKFKLLPELFQHKKTVGHQFRNSLH
LLMETLNATTPHYVRCIKPNDFKFPFTFDEKRAVQQLRACGVLETIRISA
AGFPSRWTYQEFFSRYRVLMKQKDVLSDRKQTCKNVLEKLILDKDKYQFG
KTKIFFRAGQVAYLEKIRADKLRAACIRIQKTIRGWLMRKKYMRMRRGDA
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 chain1w7i Chain A Residue 1796 [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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PDB1w7i Three Myosin V Structures Delineate Essential Features of Chemo-Mechanical Transduction
Resolution3.0 Å
Binding residue
(original residue number in PDB)		N111 P112 E114 G166 G168 K169 T170 V171
Binding residue
(residue number reindexed from 1)		N107 P108 E110 G162 G164 K165 T166 V167
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S165 G166 T170 N214 S217 S218 G440 E442
Catalytic site (residue number reindexed from 1) S161 G162 T166 N210 S213 S214 G432 E434
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:1w7i, PDBe:1w7i, PDBj:1w7i
PDBsum1w7i
PubMed15510214
UniProtQ02440|MYO5A_CHICK Unconventional myosin-Va (Gene Name=MYO5A)

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