Structure of PDB 3lhl Chain A Binding Site BS01

Receptor Information
>3lhl Chain A (length=276) Species: 272563 (Clostridioides difficile 630) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NYEESNLIVFGVGFDGTTSNRPGARFASSSMRKEFYGLETYSPFLDLDLE
DYNICDYGDLEISVGSTEQVLKEIYQETYKIVRDSKVPFMIGGEHLVTLP
AFKAVHEKYNDIYVIHFDAHTDLREEYNNSKNSHATVIKRIWDIVGDNKI
FQFGIRSGTKEEFKFATEEKHTYMEIGGIDTFENIVNMLNGKNIYLTIDL
DVLDASVFPGTGTPEPGGVNYREFQEIFKIIKNSNINIVGCDIVELSPDY
DTTGVSTVIACKILRELCLIISDKIK
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3lhl Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lhl Crystal structure of a putative agmatinase from Clostridium difficile
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H111 D134 D138 D215
Binding residue
(residue number reindexed from 1)		H95 D118 D122 D199
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H111 D134 H136 D138 H150 D215 D217 E261
Catalytic site (residue number reindexed from 1) H95 D118 H120 D122 H134 D199 D201 E245
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:0046872 metal ion binding
Biological Process
GO:0033389 putrescine biosynthetic process from arginine, using agmatinase

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Molecular Function
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Biological Process
External links
PDB RCSB:3lhl, PDBe:3lhl, PDBj:3lhl
PDBsum3lhl
PubMed
UniProtQ18A84

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