Structure of PDB 1jvz Chain A Binding Site BS01

Receptor Information
>1jvz Chain A (length=152) Species: 293 (Brevundimonas diminuta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QAPIAAYKPRSNEILWDGYGVPHIYGVDAPSAFYGYGWAQARSHGDNILR
LYGEARGKGAEYWGPDYEQTTVWLLTNGVPERAQQWYAQQSPDFRANLDA
FAAGINAYAQQNPDDISPEVRQVLPVSGADVVAHAHRLMNFLYVASPGRT
LG
Ligand information
Ligand IDCEN
InChIInChI=1S/C15H18N2O8S/c1-7(18)25-5-8-6-26-14-11(13(22)17(14)12(8)15(23)24)16-9(19)3-2-4-10(20)21/h11,14H,2-6H2,1H3,(H,16,19)(H,20,21)(H,23,24)/t11-,14-/m1/s1
InChIKeyIXUSDMGLUJZNFO-BXUZGUMPSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O
OpenEye OEToolkits 1.5.0CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(=O)O)SC1)C(=O)O
CACTVS 3.341CC(=O)OCC1=C(N2[CH](SC1)[CH](NC(=O)CCCC(O)=O)C2=O)C(O)=O
CACTVS 3.341CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CCCC(O)=O)C2=O)C(O)=O
ACDLabs 10.04O=C2N1C(=C(CSC1C2NC(=O)CCCC(=O)O)COC(=O)C)C(=O)O
FormulaC15 H18 N2 O8 S
Name7BETA-(4CARBOXYBUTANAMIDO) CEPHALOSPORANIC ACID;
GLUTARYL 7-AMINO CEPHALOSPORANIC ACID
ChEMBL
DrugBank
ZINCZINC000008927232
PDB chain1jvz Chain B Residue 999 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1jvz Structure of cephalosporin acylase in complex with glutaryl-7-aminocephalosporanic acid and glutarate: insight into the basis of its substrate specificity
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L148 Y149 S152 R155
Binding residue
(residue number reindexed from 1)		L142 Y143 S146 R149
Annotation score4
Enzymatic activity
Enzyme Commision number 3.5.1.93: glutaryl-7-aminocephalosporanic-acid acylase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016811 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
Biological Process
GO:0017000 antibiotic biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1jvz, PDBe:1jvz, PDBj:1jvz
PDBsum1jvz
PubMed11755403
UniProtQ9L5D6|G7AC_BREDI Glutaryl-7-aminocephalosporanic-acid acylase

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