Structure of PDB 3zr4 Chain B Binding Site BS01

Receptor Information
>3zr4 Chain B (length=200) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRIGIISVGPGNIMNLYRGVKRASENFEDVSIELVESPRNDLYDLLFIPG
VGHFGEGMRRLRENDLIDFVRKHVEDERYVVGVCLGMQLLFEESEEAPGV
KGLSLIEGNVVKLRSRRLPHMGWNEVIFKDTFPNGYYYFVHTYRAVCEEE
HVLGTTEYDGEIFPSAVRKGRILGFQFHPEKSSKIGRKLLEKVIECSLSR
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 chain3zr4 Chain B Residue 1205 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zr4 Catalysis Uncoupling in a Glutamine Amidotransferase Bienzyme by Unblocking the Glutaminase Active Site.
Resolution2.41 Å
Binding residue
(original residue number in PDB)		V51 G52 C84 Q88 E96 H141 T142 Y143
Binding residue
(residue number reindexed from 1)		V51 G52 C84 Q88 E96 H141 T142 Y143
Annotation score5
Enzymatic activity
Enzyme Commision number 3.5.1.2: glutaminase.
4.3.2.10: imidazole glycerol-phosphate synthase.
Gene Ontology
Molecular Function
GO:0000107 imidazoleglycerol-phosphate synthase activity
GO:0004359 glutaminase activity
GO:0005515 protein binding
GO:0016763 pentosyltransferase activity
GO:0016787 hydrolase activity
GO:0016829 lyase activity
Biological Process
GO:0000105 L-histidine biosynthetic process
GO:0006541 glutamine metabolic process
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:3zr4, PDBe:3zr4, PDBj:3zr4
PDBsum3zr4
PubMed23261602
UniProtQ9X0C8|HIS5_THEMA Imidazole glycerol phosphate synthase subunit HisH (Gene Name=hisH)

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