Structure of PDB 1z2l Chain B Binding Site BS03

Receptor Information
>1z2l Chain B (length=410) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LITHFRQAIEETLPWLSSFGADPAGGMTRLLYSPEWLETQQQFKKRMAAS
GLETRFDEVGNLYGRLNGTEYPQEVVLSGSHIDTVVNGGNLDGQFGALAA
WLAIDWLKTQYGAPLRTVEVVAMAEEEGSRFPYVFWGSKNIFGLANPDDV
RNICDAKGNSFVDAMKACGFTLPNAPLTPRQDIKAFVELHIEQGCVLESN
GQSIGVVNAIVGQRRYTVTLNGESNHAGTTPMGYRRDTVYAFSRICHQSV
EKAKRMGDPLVLTFGKVEPRPNTVNVVPGKTTFTIDCRHTDAAVLRDFTQ
QLENDMRAICDEMDIGIDIDLWMDEEPVPMNKELVATLTELCEREKLNYR
VMHSGAGHDAQIFAPRVPTCMIFIPSINGISHNPAERTNITDLAEGVKTL
ALMLYQLAWQ
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain1z2l Chain B Residue 515 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1z2l Structural analysis of a ternary complex of allantoate amidohydrolase from Escherichia coli reveals its mechanics.
Resolution2.25 Å
Binding residue
(original residue number in PDB)		Q215 R290 A358 G359
Binding residue
(residue number reindexed from 1)		Q213 R288 A356 G357
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.3.9: allantoate deiminase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
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:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0047652 allantoate deiminase activity
Biological Process
GO:0000256 allantoin catabolic process
GO:0006144 purine nucleobase metabolic process
GO:0009442 allantoin assimilation pathway
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:1z2l, PDBe:1z2l, PDBj:1z2l
PDBsum1z2l
PubMed17362992
UniProtP77425|ALLC_ECOLI Allantoate amidohydrolase (Gene Name=allC)

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