Structure of PDB 7lol Chain A Binding Site BS03

Receptor Information

>7lol Chain A (length=294) Species: 562 (Escherichia coli)

SLVSNAFGFLRLPMNFQPYDSDADWVITGVPFDMATSGRAGGRHGPAAIR
QVSTNLAWEHNRFPWNFDMRERLNVVDCGDLVYAFGDAREMSEKLQAHAE
KLLAAGKRMLSFGGDHFVTLPLLRAHAKHFGKMALVHFDAHTDTYANGCE
FDHGTMFYTAPKEGLIDPNHSVQIGIRTEFDKDNGFTVLDACQVNDRSVD
DVIAQVKQIVGDMPVYLTFDIDCLDPAFAPGTGTPVIGGLTSDRAIKLVR
GLKDLNIVGMDVVEVAPAYDQSEITALAAATLALEMLYIQAAKK

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 7lol Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7lol Crystal Structure of Escherichia coli Agmatinase: Catalytic Mechanism and Residues Relevant for Substrate Specificity.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): D149 H151 D230 D232
• Binding residue (residue number reindexed from 1): D139 H141 D220 D222
• Annotation score: 1

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

External links

• PDB: RCSB:7lol, PDBe:7lol, PDBj:7lol
• PDBsum: 7lol
• PubMed: 33946272
• UniProt: P60651|SPEB_ECOLI Agmatinase (Gene Name=speB)