Structure of PDB 2g3f Chain B Binding Site BS02

Receptor Information
>2g3f Chain B (length=414) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PKQIDTILINIGQLLTMESSGPRAGKSMQDLHVIEDAVVGIHEQKIVFAG
QKGAEAGYEADEIIDCSGRLVTPGLVDPHTHLVFGGSREKEMNLKLQGIS
YLDILAQGGGILSTVKDTRAASEEELLQKAHFHLQRMLSYGTTTAEVKSG
YGLEKETELKQLRVAKKLHESQPVDLVSTFMGAHAIPPEYQNDPDDFLDQ
MLSLLPEIKEQELASFADIFTETGVFTVSQSRRYLQKAAEAGFGLKIHAD
EIDPLGGAELAGKLKAVSADHLVGTSDEGIKKLAEAGTIAVLLPGTTFYL
GKSTYARARAMIDEGVCVSLATDFNPGSSPTENIQLIMSIAALHLKMTAE
EIWHAVTVNAAYAIGKGEEAGQLKAGRSADLVIWQAPNYMYIPYHYGVNH
VHQVMKNGTIVVNR
Ligand information
Ligand IDIZC
InChIInChI=1S/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2H,1,3H2,(H,8,9)
InChIKeyRMEAVYUMFHJQAD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1N=CC(=N1)CC(=O)O
CACTVS 3.341OC(=O)CC1=NCN=C1
ACDLabs 10.04O=C(O)CC1=NCN=C1
FormulaC5 H6 N2 O2
Name2H-IMIDAZOL-4-YLACETIC ACID;
IMIDAZOLE-4-ACETIC ACID
ChEMBL
DrugBank
ZINCZINC000100077427
PDB chain2g3f Chain B Residue 2500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2g3f A catalytic mechanism revealed by the crystal structures of the imidazolonepropionase from Bacillus subtilis
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R89 Y102 I112 Y152 F221 E252 N326 S329
Binding residue
(residue number reindexed from 1)		R88 Y101 I111 Y151 F220 E251 N325 S328
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.2.7: imidazolonepropionase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0016812 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in cyclic amides
GO:0046872 metal ion binding
GO:0050480 imidazolonepropionase activity
Biological Process
GO:0006547 L-histidine metabolic process
GO:0006548 L-histidine catabolic process
GO:0019556 L-histidine catabolic process to glutamate and formamide
GO:0019557 L-histidine catabolic process to glutamate and formate
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:2g3f, PDBe:2g3f, PDBj:2g3f
PDBsum2g3f
PubMed16990261
UniProtP42084|HUTI_BACSU Imidazolonepropionase (Gene Name=hutI)

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