Structure of PDB 7pm6 Chain D Binding Site BS01
Receptor Information
>7pm6 Chain D (length=746) Species:
9031
(Gallus gallus) [
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ELYTKYARVWIPDPEEVWKSAELLKDYKPKVLQLRLEEGKDLEYCLDPLP
PLRNPDILVGENDLTALSYLHEPAVLHNLKVRFIDSKLIYTYCGIVLVAI
NPYEQLPIYGEDIINAYSGQNMGDMDPHIFAVAEEAYKQMARDERNQSII
VSGESGAGKTVSAKYAMRYFATVSGSANVEEKVLASNPIMESIGNAKTTR
NDNSSRFGKYIEIGFDKRYRIIGANMRTYLLEKSRVVFQAEEERNYHIFY
QLCASAALPEFKTLRLGNANYFHYTKQGGSPVIDGIDDAKEMVNTRQACT
LLGISDSYQMGIFRILAGILHLGNVEFASRDSDSCAIPPKHDPLTIFCDL
MGVDYEEMAHWLCHRKLATATETYIKPISKLHAINARDALAKHIYANLFN
WIVDHVNKALHSTVKQHSFIGVLDIYGFETFEINSFEQFCINYANEKLQQ
QFNMHVFKLEQEEYMKEQIPWTLIDFYDNQPCINLIEAKMGVLDLLDEEC
KMPKGSDDTWAQKLYNTHLNKCALFEKPRLSNKAFIIKHFADKVEYQCEG
FLEKNKDTVYEEQIKVLKSSKKFKLLPELFQDSKEHKKTVGHQFRNSLHL
LMETLNATTPHYVRCIKPNDFKFPFTFDEKRAVQQLRACGVLETIRISAA
GFPSRWTYQEFFSRYRVLMKQKDVLSDRKQTCKNVLEKLILDKDKYQFGK
TKIFFRAGQVAYLEKIRADKLRAACIRIQKTIRGWLMRKKYMRMRR
Ligand information
Ligand ID
ADP
InChI
InChI=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
InChIKey
XTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
c1nc(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 3.341
Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0
c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
Formula
C10 H15 N5 O10 P2
Name
ADENOSINE-5'-DIPHOSPHATE
ChEMBL
CHEMBL14830
DrugBank
DB16833
ZINC
ZINC000012360703
PDB chain
7pm6 Chain D Residue 1902 [
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Receptor-Ligand Complex Structure
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PDB
7pm6
High-resolution structures of the actomyosin-V complex in three nucleotide states provide insights into the force generation mechanism.
Resolution
3.0 Å
Binding residue
(original residue number in PDB)
N111 P112 Y113 G166 G168 K169 T170 V171
Binding residue
(residue number reindexed from 1)
N101 P102 Y103 G156 G158 K159 T160 V161
Annotation score
4
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:7pm6
,
PDBe:7pm6
,
PDBj:7pm6
PDBsum
7pm6
PubMed
34812732
UniProt
Q02440
|MYO5A_CHICK Unconventional myosin-Va (Gene Name=MYO5A)
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