Structure of PDB 7mf3 Chain A Binding Site BS01

Receptor Information
>7mf3 Chain A (length=890) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WSAKKLVWVPSEKHGFEAASIKEEKGDEVTVELQENGKKVTLSKDDIQKM
NPPKFSKVEDMAELTCLNEASVLHNLRERYFSGLIYTYSGLFCVVINPYK
QLPIYSEKIIDMYKGKKRHEMPPHIYAIADTAYRSMLQDREDQSILCTGE
SGAGKTENTKKVIQYLAVVASSGELEKQLLQANPILEAFGNAKTVKNDNS
SRFGKFIRINFDVTGYIVGANIETYLLEKSRAIRQAKDERTFHIFYYLIA
GASEQMRNDLLLEGFNNYTFLSNGHVPIPAQQDDEMFQETLEAMTIMGFT
EEEQTSILRVVSSVLQLGNIVFKKERNTDQASMPDNTAAQKVCHLMGINV
TDFTRSILTPRIKVGRDVVQKAQTKEQADFAIEALAKAKFERLFRWILTR
VNKALDKTKRQGASFLGILDIAGFEIFEINSFEQLCINYTNEKLQQLFNH
TMFILEQEEYQREGIEWNFIDFGLDLQPCIELIERPTNPPGVLALLDEEC
WFPKATDTSFVEKLIQEQGNHAKFQKSKQLKDKTEFCILHYAGKVTYNAS
AWLTKNMDPLNDNVTSLLNQSSDKFVADLWKDVDRIVGLDQTKKGMFRTV
GQLYKEQLTKLMTTLRNTNPNFVRCIIPNHEKRAGKLDAHLVLEQLRCNG
VLEGIRICRQGFPNRIVFQEFRQRYEILAANAIPKGFMDGKQACILMIKA
LELDPNLYRIGQSKIFFRTGVLAHLEEERDLKITDVIIAFQAQCRGYLAR
KAFAKRQQQLTAMKVIQRNCAAYLKLRNWQWWRLFTKVKPLLQVTRQEEE
MQAKDEELQRTKERQQKAEAELKELEQKHTQLCEEKNLLQEKLQAETELY
AEAEEMRVRLAAKKQELEEILHEMEARIEEEEERSQQLQA
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 chain7mf3 Chain A Residue 2001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7mf3 Cryo-EM structure of the autoinhibited state of myosin-2.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		N125 P126 G180 A181 G182 K183 T184 N242 S246
Binding residue
(residue number reindexed from 1)		N97 P98 G152 A153 G154 K155 T156 N197 S201
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000146 microfilament motor activity
GO:0000287 magnesium ion binding
GO:0003774 cytoskeletal motor activity
GO:0003779 actin binding
GO:0005515 protein binding
GO:0005516 calmodulin binding
GO:0005524 ATP binding
GO:0008307 structural constituent of muscle
GO:0032027 myosin light chain binding
GO:0043531 ADP binding
GO:0045159 myosin II binding
GO:0051015 actin filament binding
Biological Process
GO:0006939 smooth muscle contraction
GO:0030239 myofibril assembly
GO:0030241 skeletal muscle myosin thick filament assembly
GO:0031032 actomyosin structure organization
GO:0048251 elastic fiber assembly
GO:0055013 cardiac muscle cell development
Cellular Component
GO:0005737 cytoplasm
GO:0005859 muscle myosin complex
GO:0016459 myosin complex
GO:0016460 myosin II complex
GO:0030016 myofibril
GO:0032982 myosin filament

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7mf3, PDBe:7mf3, PDBj:7mf3
PDBsum7mf3
PubMed34936462
UniProtP10587|MYH11_CHICK Myosin-11 (Gene Name=MYH11)

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