Structure of PDB 6z47 Chain B Binding Site BS02
Receptor Information
>6z47 Chain B (length=888) Species:
9103
(Meleagris gallopavo) [
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SAKKLVWVPSEKHGFEAASIKEEKGDEVTVELQENGKKVTLSKDDIQKMN
PPKFSKVEDMAELTCLNEASVLHNLRERYFSGLIYTYSGLFCVVVNPYKQ
LPIYSEKIIDMYKGKKRHEMPPHIYAIADTAYRSMLQDREDQSILCTGES
GAGKTENTKKVIQYLAVVASSHKGKQGPSFSYGELEKQLLQANPILEAFG
NAKTVKNDNSSRFGKFIRINFDVTGYIVGANIETYLLEKSRAIRQAKDER
TFHIFYYLIAGASEQMRNDLLLEGFNNYTFLSNGHVPIPAQQDDEMFQET
LEAMRIMGFTEEEQTSILRVVSSVLQLGNIVFKKERNTDQASMPDNTAAQ
KVCHLMGINVTDFTRSILTPRIKVGRDVVQKAQTKEQADFAIEALAKAKF
ERLFRWILTRVNKALDKTKRQGASFLGILDIAGFEIFEINSFEQLCINYT
NEKLQQLFNHTMFILEQEEYQREGIEWNFIDFGLDLQPCIELIERPTNPP
GVLALLDEECWFPKATDTSFVEKLIQEQGNHPKFQKSKQLKDKTEFCILH
YAGKVSYNASAWLTKNMDPLNDNVTSLLNQSSDKFVADLWKDVDRIVGLF
RTVGQLYKEQLTKLMTTLRNTNPNFVRCIIPNHEKRAGKLDAHLVLEQLR
CNGVLEGIRICRQGFPNRIVFQEFRQRYEILAANAIPKGFMDGKQACILM
IKALELDPNLYRIGQSKIFFRTGVLAHLEEERDLKITDVIIAFQAQCRGY
LARKAFAKRQQQLTAMKVIQRNCAAYLKLRNWQWWRLFTKVKPLLQVTRQ
EEEMQAKDEELQRTKERQQKAEAELKELEQKHTQLCEEKNLLQEKLQAET
ELYAEAEEMRVRLAAKKQELEEILHEMEARIEEEEERS
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
6z47 Chain B Residue 2002 [
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Receptor-Ligand Complex Structure
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PDB
6z47
Structure of the shutdown state of myosin-2.
Resolution
6.3 Å
Binding residue
(original residue number in PDB)
N125 P126 K128 G182 K183 T184 E185 N242 N244
Binding residue
(residue number reindexed from 1)
N96 P97 K99 G153 K154 T155 E156 N207 N209
Annotation score
4
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
View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:6z47
,
PDBe:6z47
,
PDBj:6z47
PDBsum
6z47
PubMed
33268888
UniProt
G1N5L2
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