Structure of PDB 4pxd Chain A Binding Site BS03

Receptor Information
>4pxd Chain A (length=411) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MITHFRQAIEETLPWLSSFGADPAGGMTRLLYSPEWLETQQQFKKRMAAS
GLETRFDEVGNLYGRLNGTEYPQEVVLSGSHIDTVVNGGNLDGQFGALAA
WLAIDWLKTQYGAPLRTVEVVAMAEAEGSRFPYVFWGSKNIFGLANPDDV
RNICDAKGNSFVDAMKACGFTLPNAPLTPRQDIKAFVELHIEQGCVLESN
GQSIGVVNAIVGQRRYTVTLNGESNHAGTTPMGYRRDTVYAFSRICHQSV
EKAKRMGDPLVLTFGKVEPRPNTVNVVPGKTTFTIDCRHTDAAVLRDFTQ
QLENDMRAICDEMDIGIDIDLWMDEEPVPMNKELVATLTELCEREKLNYR
VMHSGAGHDAQIFAPRVPTCMIFIPSINGISHNPAERTNITDLAEGVKTL
ALMLYQLAWQK
Ligand information
Ligand ID1AL
InChIInChI=1S/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)/p-1
InChIKeyNUCLJNSWZCHRKL-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(NC(C([O-])=O)NC(=O)N)N
OpenEye OEToolkits 1.5.0C(C(=O)[O-])(NC(=O)N)NC(=O)N
CACTVS 3.341NC(=O)NC(NC(N)=O)C([O-])=O
FormulaC4 H7 N4 O4
NameALLANTOATE ION;
DIUREIDO-ACETATE
ChEMBL
DrugBankDB04380
ZINC
PDB chain4pxd Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4pxd Structural insights into the substrate specificity of (s)-ureidoglycolate amidohydrolase and its comparison with allantoate amidohydrolase.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H226 N275
Binding residue
(residue number reindexed from 1)		H226 N275
Annotation score5
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4pxd, PDBe:4pxd, PDBj:4pxd
PDBsum4pxd
PubMed25020232
UniProtP77425|ALLC_ECOLI Allantoate amidohydrolase (Gene Name=allC)

[Back to BioLiP]