Structure of PDB 3ju5 Chain A Binding Site BS01

Receptor Information
>3ju5 Chain A (length=363) Species: 307972 (Apostichopus japonicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ANLNQKKYPAKDDFPNFEGHKSLLSKYLTADMYAKLRDVATPSGYTLDRA
IQNGVDNPDFHLGLLAGDEETYTVFADLFDPVIEEYHNGFKKTDNHKTDL
DASKILDDVLDPAYVISSRVRTGRNIRGMALSPHVCRSERRAIEKMVSEA
LNSLAADLKGKYYSLMKMDEKTQQQLIDDHFLFDRPVSRHFTSGGMARDF
PDGRGIWHNDKKNFLVWINEEDHTRIISMQMGGNMKEVFERFTRGLTEVE
KHIKDKTGKEFMKNDHLGFVLTCPSNLGTGVRCSVHAKLPHMAKDKRFEE
ICTKMRLQKRGTSVGGVYDISNLDRLGSSEVEQVNCVIKGVKVLIEMEKK
LEKGESIDDLVPK
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 chain3ju5 Chain A Residue 371 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ju5 Structural basis for a reciprocating mechanism of negative cooperativity in dimeric phosphagen kinase activity
Resolution1.75 Å
Binding residue
(original residue number in PDB)		A2 R50
Binding residue
(residue number reindexed from 1)		A1 R49
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R122 E222 R226 C274 S276 R283 R311
Catalytic site (residue number reindexed from 1) R121 E221 R225 C273 S275 R282 R310
Enzyme Commision number 2.7.3.3: arginine kinase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004054 arginine kinase activity
GO:0004111 creatine kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0016772 transferase activity, transferring phosphorus-containing groups
Biological Process
GO:0016310 phosphorylation
GO:0046314 phosphocreatine biosynthetic process
Cellular Component
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ju5, PDBe:3ju5, PDBj:3ju5
PDBsum3ju5
PubMed19783784
UniProtQ9XY07|KARG_STIJA Arginine kinase (Gene Name=AK)

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