Structure of PDB 3e74 Chain B Binding Site BS01

Receptor Information
>3e74 Chain B (length=433) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFDLIIKNGTVILENEARVVDIAVKGGKIAAIGQDLGDAKEVMDASGLVV
SPGMVDAHTHISHWEGYETGTRAAAKGGITTMIEMPLNQLPATVDRASIE
LKFDAAKGKLTIDAAQLGGLVSYNIDRLHELDEVGVVGFKCFVRDVNDWQ
FFKGAQKLGELGQPVLVHCENALICDELGEEAKREGRVTAHDYVASRPVF
TEVEAIRRVLYLAKVAGCRLHVCHVSSPEGVEEVTRARQEGQDITCESCP
HYFVLDTDQFEEIGTLAKCSPPIRDLENQKGMWEKLFNGEIDCLVSDHSP
CPPEMKAGNIMKAWGGIAGLQSCMDVMFDEAVQKRGMSLPMFGKLMATNA
ADIFGLQQKGRIAPGKDADFVFIQPNSSYVLTNDDLEYRHKVSPYVGRTI
GARITKTILRGDVIYDIEQGFPVAPKGQFILKH
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain3e74 Chain B Residue 454 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3e74 Crystal structure of metal-dependent allantoinase from Escherichia coli
Resolution2.1 Å
Binding residue
(original residue number in PDB)		K146 H186 H242
Binding residue
(residue number reindexed from 1)		K140 H168 H224
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.2.5: allantoinase.
Gene Ontology
Molecular Function
GO:0004038 allantoinase activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872 metal ion binding
GO:0050897 cobalt ion binding
Biological Process
GO:0000256 allantoin catabolic process
GO:0006144 purine nucleobase metabolic process
GO:0006145 purine nucleobase catabolic process
GO:0009442 allantoin assimilation pathway
Cellular Component
GO:0005737 cytoplasm

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Biological Process
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Cellular Component
External links
PDB RCSB:3e74, PDBe:3e74, PDBj:3e74
PDBsum3e74
PubMed19248789
UniProtP77671|ALLB_ECOLI Allantoinase (Gene Name=allB)

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