Structure of PDB 6fqb Chain E Binding Site BS01

Receptor Information
>6fqb Chain E (length=247) Species: 1313 (Streptococcus pneumoniae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVYTSLSSKDGNYPYQLNIAHLYGNLMNTYGDNGNILMLKYVAEKLGAHV
TVDIVSLHDDFDENHYDIAFFGGGQDFEQSIIADDLPAKKESIDNYIQND
GVVLAICGGFQLLGQYYVEASGKRIEGLGVMGHYTLNQTNNRFIGDIKIH
NEDFDETYYGFENHQGRTFLSDDQKPLGQVVYGNGNNEEKVGEGVHYKNV
FGSYFHGPILSRNANLAYRLVTTALKKKYGQDIQLPAYEDILSQEIA
Ligand information
Ligand IDGLN
InChIInChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
InChIKeyZDXPYRJPNDTMRX-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(=O)N)C(C(=O)O)N
OpenEye OEToolkits 1.5.0C(CC(=O)N)[C@@H](C(=O)O)N
ACDLabs 10.04O=C(N)CCC(N)C(=O)O
CACTVS 3.341N[CH](CCC(N)=O)C(O)=O
CACTVS 3.341N[C@@H](CCC(N)=O)C(O)=O
FormulaC5 H10 N2 O3
NameGLUTAMINE
ChEMBLCHEMBL930
DrugBankDB00130
ZINCZINC000001532526
PDB chain6fqb Chain E Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6fqb Structure of the essential peptidoglycan amidotransferase MurT/GatD complex from Streptococcus pneumoniae.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		C107 Q111 N163 Q165 G166 H206
Binding residue
(residue number reindexed from 1)		C107 Q111 N163 Q165 G166 H206
Annotation score5
Enzymatic activity
Enzyme Commision number 3.5.1.2: glutaminase.
6.3.5.13: lipid II isoglutaminyl synthase (glutamine-hydrolyzing).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004359 glutaminase activity
GO:0016787 hydrolase activity
GO:0016874 ligase activity
GO:0140282 carbon-nitrogen ligase activity on lipid II
Biological Process
GO:0006541 glutamine metabolic process
GO:0008360 regulation of cell shape
GO:0009236 cobalamin biosynthetic process
GO:0009252 peptidoglycan biosynthetic process
GO:0071555 cell wall organization

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6fqb, PDBe:6fqb, PDBj:6fqb
PDBsum6fqb
PubMed30093673
UniProtQ8DNZ8|GATD_STRR6 Lipid II isoglutaminyl synthase (glutamine-hydrolyzing) subunit GatD (Gene Name=gatD)

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