Structure of PDB 1rl9 Chain A Binding Site BS02

Receptor Information
>1rl9 Chain A (length=356) Species: 6850 (Limulus polyphemus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VDQATLDKLEAGFKKLQEASDCKSLLKKHLTKDVFDSIKNKKTGMGATLL
DVIQSGVENLDSGVGIYAPDAESYRTFGPLFDPIIDDYHGGFKLTDKHPP
KEWGDINTLVDLDPAGQFIISTRVRCGRSLQGYPFNPCLTAEQYKEMEEK
VSSTLSSMEDELKGTYYPLTGMSKATQQQLIDDHFLFKEGDRFLQTANAC
RYWPTGRGIFHNDAKTFLVWVNEEDHLRIISMQKGGDLKTVYKRLVTAVD
NIESKLPFSHDDRFGFLTFCPTNLGTTMRASVHIQLPKLAKDRKVLEDIA
SKFNLQVRGTRGEHTESEGGVYDISNKRRLGLTEYQAVREMQDGILEMIK
MEKAAA
Ligand information
Ligand IDIOM
InChIInChI=1S/C4H11N3O2/c1-7(4(5)6)2-3(8)9/h4H,2,5-6H2,1H3,(H,8,9)
InChIKeyYNHURFGTTODJOO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)CN(C)C(N)N
OpenEye OEToolkits 1.5.0CN(CC(=O)O)C(N)N
CACTVS 3.341CN(CC(O)=O)C(N)N
FormulaC4 H11 N3 O2
Name(DIAMINOMETHYL-METHYL-AMINO)-ACETIC ACID
ChEMBL
DrugBankDB02490
ZINCZINC000019329420
PDB chain1rl9 Chain A Residue 902 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rl9 The role of phosphagen specificity loops in arginine kinase.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		V65 E225 C271 T273 E314
Binding residue
(residue number reindexed from 1)		V64 E224 C270 T272 E313
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R126 E225 R229 C271 T273 R280 R309 E314
Catalytic site (residue number reindexed from 1) R125 E224 R228 C270 T272 R279 R308 E313
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:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1rl9, PDBe:1rl9, PDBj:1rl9
PDBsum1rl9
PubMed14978299
UniProtP51541|KARG_LIMPO Arginine kinase

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