Structure of PDB 2bb0 Chain A Binding Site BS02

Receptor Information
>2bb0 Chain A (length=413) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KQIDTILINIGQLLTMESSGPRAGKSMQDLHVIEDAVVGIHEQKIVFAGQ
KGAEAGYEADEIIDCSGRLVTPGLVDPHTHLVFGGSREKEMNLKLQGISY
LDILAQGGGILSTVKDTRAASEEELLQKAHFHLQRMLSYGTTTAEVKSGY
GLEKETELKQLRVAKKLHESQPVDLVSTFMGAHAIPPEYQNDPDDFLDQM
LSLLPEIKEQELASFADIFTETGVFTVSQSRRYLQKAAEAGFGLKIHADE
IDPLGGAELAGKLKAVSADHLVGTSDEGIKKLAEAGTIAVLLPGTTFYLG
KSTYARARAMIDEGVCVSLATDFNPGSSPTENIQLIMSIAALHLKMTAEE
IWHAVTVNAAYAIGKGEEAGQLKAGRSADLVIWQAPNYMYIPYHYGVNHV
HQVMKNGTIVVNR
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2bb0 Chain A Residue 1601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2bb0 A catalytic mechanism revealed by the crystal structures of the imidazolonepropionase from Bacillus subtilis
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H80 H82 H249 D324
Binding residue
(residue number reindexed from 1)		H78 H80 H247 D322
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:2bb0, PDBe:2bb0, PDBj:2bb0
PDBsum2bb0
PubMed16990261
UniProtP42084|HUTI_BACSU Imidazolonepropionase (Gene Name=hutI)

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