Structure of PDB 4rf7 Chain B Binding Site BS02

Receptor Information
>4rf7 Chain B (length=700) 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
ENILTKYHIQARGIHGEHSESTGEDAGVYDISNRRRLGLSEVQCVQDMYD
GVKALMELEKEAIAKKRSVFPEVLKNPEVKSLLRKYLTPELFDSLKDKKT
AKGISLYDCINSGVENLDSSCGVYAGDEECYTLFAPLFDKIVEDYHSPYK
LANKHTSDMNPEKVDAPNLDPEGTYIRSTRIRVARNVKGYALTPGLTRNE
RLDIERKVVGVLSSLTGDLAGQYYPLTGMDEATRQKLVNDHFLFKKGDRF
LEAAGVNKLWPEGRGIFHNNDKTFLVWINEEDQLRIISMEKGSDIGSVFG
RLCRAVNEIDKQLGFQHTDAHGYLSGCPTNLGTGMRASVHVKIPKASAHP
DFQKICDEFHIQARGIVFDISNRRRLGLSEVQCVQDMYNGVKKLLEIEKS
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 chain4rf7 Chain B Residue 1006 [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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PDB4rf7 Structure of a double-domain phosphagen kinase reveals an asymmetric arrangement of the tandem domains.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S126 T127 R128 K239 H288
Binding residue
(residue number reindexed from 1)		S126 T127 R128 K239 H288
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) R130 E229 R233 C275 S277 R284 R312 E317
Catalytic site (residue number reindexed from 1) R130 E229 R233 C275 S277 R284 R312 E317
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
View graph for
Biological Process
External links
PDB RCSB:4rf7, PDBe:4rf7, PDBj:4rf7
PDBsum4rf7
PubMed25849389
UniProtO15992|KARG_ANTJA Arginine kinase

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