Structure of PDB 7lol Chain A Binding Site BS04

Receptor Information
>7lol Chain A (length=294) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SLVSNAFGFLRLPMNFQPYDSDADWVITGVPFDMATSGRAGGRHGPAAIR
QVSTNLAWEHNRFPWNFDMRERLNVVDCGDLVYAFGDAREMSEKLQAHAE
KLLAAGKRMLSFGGDHFVTLPLLRAHAKHFGKMALVHFDAHTDTYANGCE
FDHGTMFYTAPKEGLIDPNHSVQIGIRTEFDKDNGFTVLDACQVNDRSVD
DVIAQVKQIVGDMPVYLTFDIDCLDPAFAPGTGTPVIGGLTSDRAIKLVR
GLKDLNIVGMDVVEVAPAYDQSEITALAAATLALEMLYIQAAKK
Ligand information
Ligand IDURE
InChIInChI=1S/CH4N2O/c2-1(3)4/h(H4,2,3,4)
InChIKeyXSQUKJJJFZCRTK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)(N)N
CACTVS 3.341NC(N)=O
ACDLabs 10.04O=C(N)N
FormulaC H4 N2 O
NameUREA
ChEMBLCHEMBL985
DrugBankDB03904
ZINCZINC000008214514
PDB chain7lol Chain A Residue 405 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7lol Crystal Structure of Escherichia coli Agmatinase: Catalytic Mechanism and Residues Relevant for Substrate Specificity.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D153 H163 D230 E274
Binding residue
(residue number reindexed from 1)		D143 H153 D220 E264
Annotation score5
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:7lol, PDBe:7lol, PDBj:7lol
PDBsum7lol
PubMed33946272
UniProtP60651|SPEB_ECOLI Agmatinase (Gene Name=speB)

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