Structure of PDB 1kk8 Chain A Binding Site BS01

Receptor Information
>1kk8 Chain A (length=793) Species: 31199 (Argopecten irradians) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNIDFSDPDFQYLAVDRKKLMKTAAFDGKKNCWVPDEKEGFASAEIQSSK
GDEITVKIVADSSTRTVKKDDIQSMNPPKFEKLEDMANMTYLNEASVLYN
LRSRYTSGLIYTYSGLFCIAVNPYRRLPIYTDSVIAKYRGKRKTEIPPHL
FSVADNAYQNMVTDRENQSCLITGESGAGKTENTKKVIMYLAKVACAVKK
KEGSLEDQIIQANPVLEAYGNAKTTRNNNSSRFGKFIRIHFGPTGKIAGA
DIETYLLEKSRVTYQQSAERNYHIFYQICSNAIPELNDVMLVTPDSGLYS
FINQGCLTVDNIDDVEEFKLCDEAFDILGFTKEEKQSMFKCTASILHMGE
MKFKQEQAESDGTAEAEKVAFLCGINAGDLLKALLKPKVKMVTKGQNMNQ
VVNSVGALAKSLYDRMFNWLVRRVNKTLDTKAKRNYYIGVLDIAGFEIFD
FNSFEQLCINYTNERLQQFFNHHMFILEQEEYKKEGIAWEFIDFGMDLQM
CIDLIEKPMGILSILEEECMFPKADDKSFQDKLYQNHMGKNRMFTKPGKP
TRPNQGPAHFELHHYAGNVPYSITGWLEKNKDPINENVVALLGASKEPLV
AELFKAQTISAVHRESLNKLMKNLYSTHPHFVRCIIPNELKQPGLVDAEL
VLHQLQCNGVLERKGFPSRLIYSEFKQRYSILAPNAIPQDGKTVSEKILA
GLQMDPAEYRLGTTKVFFKAGVLGNLEEMRDERLSKIISMFQAHIRGYLI
RKAYKKLQDQRIGLSVIQRNIRKWLVLRNWQWWKLYSKVKPLL
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 chain1kk8 Chain A Residue 997 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1kk8 Crystallographic findings on the internally uncoupled and near-rigor states of myosin: further insights into the mechanics of the motor.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		T183 S241
Binding residue
(residue number reindexed from 1)		T181 S231
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) S178 G179 T183 N237 S240 S241 G463 E465
Catalytic site (residue number reindexed from 1) S176 G177 T181 N227 S230 S231 G445 E447
Enzyme Commision number ?
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
View graph for
Cellular Component
External links
PDB RCSB:1kk8, PDBe:1kk8, PDBj:1kk8
PDBsum1kk8
PubMed12297624
UniProtP24733|MYS_ARGIR Myosin heavy chain, striated muscle

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