Structure of PDB 1w7j Chain A Binding Site BS02

Receptor Information
>1w7j Chain A (length=752) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AASELYTKYARVWIPDPEEVWKSAELLKDYKPGDKVLQLRLEEGKDLEYC
LDPKTKELPPLRNPDILVGENDLTALSYLHEPAVLHNLKVRFIDSKLIYT
YCGIVLVAINPYEQLPIYGEDIINAYSGQNMGDMDPHIFAVAEEAYKQMA
RDERNQSIIVSGESGAGKTVSAKYAMRYFATVSGSASEANVEEKVLASNP
IMESIGNAKTTRNDNSSRFGKYIEIGFDKRYRIIGANMRTYLLEKSRVVF
QAEEERNYHIFYQLCASAALPEFKTLRLGNANYFHYTKQGGSPVIDGIDD
AKEMVNTRQACTLLGISDSYQMGIFRILAGILHLGNVEFASRDSDSCAIP
PKHDPLTIFCDLMGVDYEEMAHWLCHRKLATATETYIKPISKLHAINARD
ALAKHIYANLFNWIVDHVNKALHSTVKQHSFIGVLDIYGFETFEINSFEQ
FCINYANEKLQQQFNMHVFKLEQEEYMKEQIPWTLIDFYDNQPCINLIEA
KMGVLDLLDEECKMPKGSDDTWAQKLYNTHLNKCALFEKPRLSNKAFIIK
HFADKVEYQCEGFLEKNKDTVYEEQIKVLKSSKKFKLLPELFQKTVGHQF
RNSLHLLMETLNATTPHYVRCIKPNDFKFPFTFDEKRAVQQLRACGVLET
IRISAAGFPSRWTYQEFFSRYRVLMKQKDVLSDRKQTCKNVLEKLILDKD
KYQFGKTKIFFRAGQVAYLEKIRADKLRAACIRIQKTIRGWLMRKKYMRM
RR
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 chain1w7j Chain A Residue 1794 [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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PDB1w7j Three Myosin V Structures Delineate Essential Features of Chemo-Mechanical Transduction
Resolution2.0 Å
Binding residue
(original residue number in PDB)		N111 P112 E114 G166 G168 K169 T170 V171 N214
Binding residue
(residue number reindexed from 1)		N110 P111 E113 G165 G167 K168 T169 V170 N213
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) S164 G165 T169 N213 S216 S217 G439 E441
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:1w7j, PDBe:1w7j, PDBj:1w7j
PDBsum1w7j
PubMed15510214
UniProtQ02440|MYO5A_CHICK Unconventional myosin-Va (Gene Name=MYO5A)

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