Structure of PDB 7lox Chain A Binding Site BS04

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 404 [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)		H151 D153
Binding residue
(residue number reindexed from 1)		H131 D133
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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Molecular Function
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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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