Structure of PDB 7lox Chain A Binding Site BS03

Receptor Information
>7lox Chain A (length=284) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAFGFLRLPMNFQPYDSDADWVITGVPFDAGGRHGPAAIRQVSTNLAWEH
NRFPWNFDMRERLNVVDCGDLVYAFGDAREMSEKLQAHAEKLLAAGKRML
SFGGDHFVTLPLLRAHAKHFGKMALVHFDAHTDTYANGCEFDHGTMFYTA
PKEGLIDPNHSVQIGIRTEFDKDNGFTVLDACQVNDRSVDDVIAQVKQIV
GDMPVYLTFDIDCLDPAFAPGTGTPVIGGLTSDRAIKLVRGLKDLNIVGM
DVVEVAPAYDQSEITALAAATLALEMLYIQAAKK
Ligand information
Ligand IDGAI
InChIInChI=1S/CH5N3/c2-1(3)4/h(H5,2,3,4)
InChIKeyZRALSGWEFCBTJO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[N@H]=C(N)N
OpenEye OEToolkits 1.5.0C(=N)(N)N
CACTVS 3.341NC(N)=N
FormulaC H5 N3
NameGUANIDINE
ChEMBLCHEMBL821
DrugBankDB00536
ZINCZINC000008101126
PDB chain7lox 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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PDB7lox Crystal Structure of Escherichia coli Agmatinase: Catalytic Mechanism and Residues Relevant for Substrate Specificity.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		H126 H151 D153 H163 D230
Binding residue
(residue number reindexed from 1)		H106 H131 D133 H143 D210
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.3.11: agmatinase.
Gene Ontology
Molecular Function
GO:0008783 agmatinase activity
GO:0016787 hydrolase activity
GO:0016813 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amidines
GO:0030145 manganese ion binding
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0008295 spermidine biosynthetic process
GO:0009446 putrescine biosynthetic process
GO:0033388 putrescine biosynthetic process from arginine
GO:0033389 putrescine biosynthetic process from arginine, using agmatinase
Cellular Component
GO:0005829 cytosol

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Biological Process
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Cellular Component
External links
PDB RCSB:7lox, PDBe:7lox, PDBj:7lox
PDBsum7lox
PubMed33946272
UniProtP60651|SPEB_ECOLI Agmatinase (Gene Name=speB)

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