Structure of PDB 1br2 Chain D Binding Site BS01

Receptor Information
>1br2 Chain D (length=673) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LVWVPSEKHGFEAASIEVTVELQENGKKVTLSKDDIQKMNPPKFSKVEDM
AELTCLNEASVLHNLRERYFSGLIYTYSGLFCVVINPYKQLPIYSEKIID
MYKGKKRHEMPPHIYAIADTAYRSMLQDREDQSILCTGESGAGKTENTKK
VIQYLAVVASGELEKQLLQANPILEAFGNAKTVKNDNSSRFGKFIRINFD
VTGYIVGANIETYLLEKSRAIRQAKDERTFHIFYYLIAGASEQMRNDLLL
EGFNNYTFLSNGHVPIPAQQDDEMFQETLEAMTIMGFTEEEQTSILRVVS
SVLQLGNIVFKKEQASMPDNTAAQKVCHLMGINVTDFTRSILTPKAQTKE
QADFAIEALAKAKFERLFRWILTRVNKALDASFLGILDIAGFEIFEINSF
EQLCINYTNEKLQQLFNHTMFILEQEEYQREGIEWNFIDFGLDLQPCIEL
IERPTNPPGVLALLDEECATDTSFVEKLIQEQGNHAKFQKSKTEFCILHY
AGKVTYNASAWLTKNMDPLNDNVTSLLNQSSDKFVADLWKRTVGQLYKEQ
LTKLMTTLRNTNPNFVRCIIPNHEKRAGKLDAHLVLEQLRCNGVLEGIRI
CRQGFPNRIVFQEFRQRYEILAANAIPKGFMDGKQACILMIKALELDPNL
YRIGQSKIFFRTGVLAHLEEERD
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1br2 Chain D Residue 997 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1br2 Crystal structure of a vertebrate smooth muscle myosin motor domain and its complex with the essential light chain: visualization of the pre-power stroke state.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		T184 S246 D465
Binding residue
(residue number reindexed from 1)		T145 S189 D388
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S179 G180 T184 N242 S245 S246 G468 E470
Catalytic site (residue number reindexed from 1) S140 G141 T145 N185 S188 S189 G391 E393
Enzyme Commision number 3.6.1.32: Transferred entry: 5.6.1.8.
Gene Ontology
Molecular Function
GO:0003774 cytoskeletal motor activity
GO:0005524 ATP binding
GO:0051015 actin filament binding
Cellular Component
GO:0016459 myosin complex

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:1br2, PDBe:1br2, PDBj:1br2
PDBsum1br2
PubMed9741621
UniProtP10587|MYH11_CHICK Myosin-11 (Gene Name=MYH11)

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