Structure of PDB 5cev Chain E Binding Site BS04

Receptor Information
>5cev Chain E (length=298) Species: 33931 ([Bacillus] caldovelox) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPISIIGVPMDLGQTRRGVDMGPSAMRYAGVIERLERLHYDIEDLGDIPI
GKAERLHEQGDSRLRNLKAVAEANEKLAAAVDQVVQRGRFPLVLGGDHSI
AIGTLAGVAKHYERLGVIWYDAHGDVNTAETSPSGNIHGMPLAASLGFGH
PALTQIGGYSPKIKPEHVVLIGVRSLDEGEKKFIREKGIKIYTMHEVDRL
GMTRVMEETIAYLKERTDGVHLSLDLDGLDPSDAPGVGTPVIGGLTYRES
HLAMEMLAEAQIITSAEFVEVNPILDERNKTASVAVALMGSLFGEKLM
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 chain5cev Chain F Residue 411 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5cev Crystal structures of Bacillus caldovelox arginase in complex with substrate and inhibitors reveal new insights into activation, inhibition and catalysis in the arginase superfamily.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H252 E256
Binding residue
(residue number reindexed from 1)		H251 E255
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H99 D122 H124 D126 H139 D226 D228 E271
Catalytic site (residue number reindexed from 1) H98 D121 H123 D125 H138 D225 D227 E270
Enzyme Commision number 3.5.3.1: arginase.
Gene Ontology
Molecular Function
GO:0004053 arginase 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:0046872 metal ion binding
Biological Process
GO:0000050 urea cycle
GO:0006525 arginine metabolic process
GO:0019547 arginine catabolic process to ornithine
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5cev, PDBe:5cev, PDBj:5cev
PDBsum5cev
PubMed10196128
UniProtP53608|ARGI_BACCD Arginase (Gene Name=rocF)

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