Structure of PDB 7b60 Chain B Binding Site BS01

Receptor Information
>7b60 Chain B (length=477) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNLRDLLAPWVPDAPSRALREMTLDSRVAAAGDLFVAVVGADGRRYIPQA
IAQGVAAIIAEAKDEATDGEIREMHGVPVIYLSQLNERLSALAGRFYHEP
SDNLRLVGVTGTNGKTTTTQLLAQWSQLLGEISAVMGTVGNGLLGKVIPG
SAVDVQHELAGLVDQGATFCAMEVSSHGLVQHRVAALKFAASVFTNLSDM
EHYEAAKWLLYSEHHCGQAIINADDEVGRRWLAKLPDAVAVSMEDHINPN
CHGRWLKATEVNYHDSGATIRFSSSWGDGEIESHLMGAFNVSNLLLALAT
LLALGYPLADLLKTAARLQPVCGRMEVFTAPGKPTVVVDYAHTPDALEKA
LQAARLHCAGKLWCVFGCGGDRDKGKRPLMGAIAEEFADVAVVTDDNPRT
EEPRAIINDILAGMLDAGHAKVMEGRAEAVTCAVMQAKENDVVLVAGKGH
EDYQIVGNQRLDYSDRVTVARLLGVIA
Ligand information
Ligand IDO3D
InChIInChI=1S/C9H13NO3S/c11-14(12)6-3-10(4-7-14)8-9-2-1-5-13-9/h1-2,5H,3-4,6-8H2
InChIKeyAEOGPIJVSQTAII-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(oc1)CN2CCS(=O)(=O)CC2
ACDLabs 12.01N1(CCS(CC1)(=O)=O)Cc2ccco2
CACTVS 3.385O=[S]1(=O)CCN(CC1)Cc2occc2
FormulaC9 H13 N O3 S
Name4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione
ChEMBL
DrugBank
ZINCZINC000019851827
PDB chain7b60 Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7b60 Crystal structure of MurE from E.coli
Resolution1.91 Å
Binding residue
(original residue number in PDB)		G142 D164 V184 S185
Binding residue
(residue number reindexed from 1)		G137 D154 V174 S175
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.2.13: UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008765 UDP-N-acetylmuramoylalanyl-D-glutamate-2,6-diaminopimelate ligase activity
GO:0016874 ligase activity
GO:0016881 acid-amino acid ligase activity
Biological Process
GO:0008360 regulation of cell shape
GO:0009058 biosynthetic process
GO:0009252 peptidoglycan biosynthetic process
GO:0051301 cell division
GO:0071555 cell wall organization
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7b60, PDBe:7b60, PDBj:7b60
PDBsum7b60
PubMed
UniProtP22188|MURE_ECOLI UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase (Gene Name=murE)

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