Structure of PDB 6z47 Chain A Binding Site BS01

Receptor Information
>6z47 Chain A (length=888) Species: 9103 (Meleagris gallopavo) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAKKLVWVPSEKHGFEAASIKEEKGDEVTVELQENGKKVTLSKDDIQKMN
PPKFSKVEDMAELTCLNEASVLHNLRERYFSGLIYTYSGLFCVVVNPYKQ
LPIYSEKIIDMYKGKKRHEMPPHIYAIADTAYRSMLQDREDQSILCTGES
GAGKTENTKKVIQYLAVVASSHKGKQGPSFSYGELEKQLLQANPILEAFG
NAKTVKNDNSSRFGKFIRINFDVTGYIVGANIETYLLEKSRAIRQAKDER
TFHIFYYLIAGASEQMRNDLLLEGFNNYTFLSNGHVPIPAQQDDEMFQET
LEAMRIMGFTEEEQTSILRVVSSVLQLGNIVFKKERNTDQASMPDNTAAQ
KVCHLMGINVTDFTRSILTPRIKVGRDVVQKAQTKEQADFAIEALAKAKF
ERLFRWILTRVNKALDKTKRQGASFLGILDIAGFEIFEINSFEQLCINYT
NEKLQQLFNHTMFILEQEEYQREGIEWNFIDFGLDLQPCIELIERPTNPP
GVLALLDEECWFPKATDTSFVEKLIQEQGNHPKFQKSKQLKDKTEFCILH
YAGKVSYNASAWLTKNMDPLNDNVTSLLNQSSDKFVADLWKDVDRIVGLF
RTVGQLYKEQLTKLMTTLRNTNPNFVRCIIPNHEKRAGKLDAHLVLEQLR
CNGVLEGIRICRQGFPNRIVFQEFRQRYEILAANAIPKGFMDGKQACILM
IKALELDPNLYRIGQSKIFFRTGVLAHLEEERDLKITDVIIAFQAQCRGY
LARKAFAKRQQQLTAMKVIQRNCAAYLKLRNWQWWRLFTKVKPLLQVTRQ
EEEMQAKDEELQRTKERQQKAEAELKELEQKHTQLCEEKNLLQEKLQAET
ELYAEAEEMRVRLAAKKQELEEILHEMEARIEEEEERS
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 chain6z47 Chain A Residue 2002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6z47 Structure of the shutdown state of myosin-2.
Resolution6.3 Å
Binding residue
(original residue number in PDB)		N125 P126 Y127 K128 S179 A181 G182 K183 T184 E185 N242 N244
Binding residue
(residue number reindexed from 1)		N96 P97 Y98 K99 S150 A152 G153 K154 T155 E156 N207 N209
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000146 microfilament motor activity
GO:0003774 cytoskeletal motor activity
GO:0003779 actin binding
GO:0005524 ATP binding
GO:0051015 actin filament binding
Biological Process
GO:0031032 actomyosin structure organization
Cellular Component
GO:0005737 cytoplasm
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
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Cellular Component
External links
PDB RCSB:6z47, PDBe:6z47, PDBj:6z47
PDBsum6z47
PubMed33268888
UniProtG1N5L2

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