Structure of PDB 1bg0 Chain A Binding Site BS04

Receptor Information
>1bg0 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
KQWGDINTLVGLDPAGQFIISTRVRCGRSLQGYPFNPCLTAEQYKEMEEK
VSSTLSSMEDELKGTYYPLTGMSKATQQQLIDDHFLFKEGDRFLQTANAC
RYWPTGRGIFHNDAKTFLVWVNEEDHLRIISMQKGGDLKTVYKRLVTAVD
NIESKLPFSHDDRFGFLTFCPTNLGTTMRASVHIQLPKLAKDRKVLEDIA
SKFNLQVRGTRGEHTESEGGVYDISNKRRLGLTEYQAVREMQDGILEMIK
MEKAAA
Ligand information
Ligand IDDAR
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m1/s1
InChIKeyODKSFYDXXFIFQN-SCSAIBSYSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
OpenEye OEToolkits 1.5.0C(C[C@H](C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(O)=O
CACTVS 3.341N[C@H](CCCNC(N)=[NH2+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameD-ARGININE
ChEMBL
DrugBank
ZINC
PDB chain1bg0 Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bg0 Transition state structure of arginine kinase: implications for catalysis of bimolecular reactions.
Resolution1.86 Å
Binding residue
(original residue number in PDB)		S63 G64 V65 Y68 E225 C271 E314
Binding residue
(residue number reindexed from 1)		S62 G63 V64 Y67 E224 C270 E313
Annotation score5
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:1bg0, PDBe:1bg0, PDBj:1bg0
PDBsum1bg0
PubMed9671698
UniProtP51541|KARG_LIMPO Arginine kinase

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