Structure of PDB 3u9e Chain B Binding Site BS04

Receptor Information
>3u9e Chain B (length=288) Species: 169963 (Listeria monocytogenes EGD-e) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTKSRFFSDVAETSSFVFAVAGADDEVVLETIRLALKQKLGKFLLFGKKE
DKTLTANESVTWIQTDTAEAAAQGAILAVKNKEADILVKGFIPTATLMHH
VLKKENGLRTDQLLSQIAIFDIPTYHKPLLITDCAMNVAPKTKEKIAITE
NALAVAHQIGITNPKIALLSAVEEVTAKMPSTLEAQEVVQHFGNQISVSG
PLALDVAISKEAALHKGITDSSAGEADILIAPNIETGNALYKSLVYFAGA
KVGSAVVGAKVPIVISSRNDSPENKLASFILTVRLVEK
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 chain3u9e Chain B Residue 291 [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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PDB3u9e The crystal structure of a possible phosphate acetyl/butaryl transferase (from Listeria monocytogenes EGD-e) in complex with CoA.
Resolution2.04 Å
Binding residue
(original residue number in PDB)		N238 K242 S266 S267 D270
Binding residue
(residue number reindexed from 1)		N238 K242 S266 S267 D270
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:3u9e, PDBe:3u9e, PDBj:3u9e
PDBsum3u9e
PubMed
UniProtQ8Y7B7

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