Structure of PDB 4rf9 Chain B Binding Site BS02

Receptor Information
>4rf9 Chain B (length=686) Species: 67755 (Anthopleura japonica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MADPETAAKFKSKNAFPDPLNDPKCNPKSLVKKYLTPKVFESLKNKKTKL
GITLWDCINSGVVNLDSGVGVYAGDEESYTLFGPLFDAIIEDYHSPYKLA
TGHNSDMNPAHVKAPDLDPANRYIRSTRIRVARSLKGYGLAPGVTKAHRL
EIEKKVVGVLTSLTGDLAGKYYPLSGMDEKTRQQLVDDHFLFKKGDRFLE
AAGINKEWPEGRGIYHNNDKTFLVWLNEEDHLRIISMEKGSDIGSVFSRL
CRAVNEIDKKLGFQHTKKHGYLTSCPSNLGTGMRASVHVKIPHAKEHPDF
ENILTKYHIQARGIEDAGVYDISNRRRLGLSEVQCVQDMYDGVKALMELE
KEAIAKKRSVFPEVLKNPEVKSLLRKYLTPELFDSLKDKKTAKGISLYDC
INSGVENLDSSCGVYAGDEECYTLFAPLFDKIVEDYHSPYKLANKHTSDM
NPEKVDAPNLDPEGTYIRSTRIRVARNVKGYALTPGLTRNERLDIERKVV
GVLSSLTGDLAGQYYPLTGMDEATRQKLVNDHFLFKKGDRFLEAAGVNKL
WPEGRGIFHNNDKTFLVWINEEDQLRIISMEKGSDIGSVFGRLCRAVNEI
DKQLGFQHTDAHGYLSGCPTNLGTGMRASVHVKIPKASAHPDFQKICDEF
HIQARDISNRRRLGLSEVQCVQDMYNGVKKLLEIEK
Ligand information
Ligand IDARG
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-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[C@@H](CCCNC(N)=[NH2+])C(O)=O
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
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameARGININE
ChEMBL
DrugBank
ZINC
PDB chain4rf9 Chain B Residue 802 [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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PDB4rf9 Structure of a double-domain phosphagen kinase reveals an asymmetric arrangement of the tandem domains.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		Y72 F198 E229 C275
Binding residue
(residue number reindexed from 1)		Y72 F198 E229 C275
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R130 E229 R233 C275 S277 R284 R312
Catalytic site (residue number reindexed from 1) R130 E229 R233 C275 S277 R284 R312
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4rf9, PDBe:4rf9, PDBj:4rf9
PDBsum4rf9
PubMed25849389
UniProtO15992|KARG_ANTJA Arginine kinase

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