Structure of PDB 7lba Chain K Binding Site BS01

Receptor Information

>7lba Chain K (length=310) Species: 562 (Escherichia coli)

NLYFQGHMSTLGHQYDNSLVSNAFGFLRLPMNFQPYDSDADWVITGVPFD
MATSGRAGGRHGPAAIRQVSTNLAWEHNRFPWNFDMRERLNVVDCGDLVY
AFGDAREMSEKLQAHAEKLLAAGKRMLSFGGDHFVTLPLLRAHAKHFGKM
ALVHFDAHTDTYANGCEFDHGTMFYTAPKEGLIDPNHSVQIGIRTEFDKD
NGFTVLDACQVNDRSVDDVIAQVKQIVGDMPVYLTFDIDCLDPAFAPGTG
TPVIGGLTSDRAIKLVRGLKDLNIVGMDVVEVAPAYDQSEITALAAATLA
LEMLYIQAAK

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: 7lba Chain K Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7lba Structure of the E. coli agmatinase, SPEB.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): D149 H151 D230 D232
• Binding residue (residue number reindexed from 1): D156 H158 D237 D239
• 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:7lba, PDBe:7lba, PDBj:7lba
• PDBsum: 7lba
• PubMed: 33857156
• UniProt: P60651|SPEB_ECOLI Agmatinase (Gene Name=speB)