Structure of PDB 1tt4 Chain B Binding Site BS01

Receptor Information
>1tt4 Chain B (length=354) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFHVSEPYTLGIELEMQVINPPGYDLSQDSSTLIDAVKPQLTAGEIKHDI
TESMLEMATGVCRDIDQAAAQLSAMQHVILQAASEHHLGICGGGTHPFQK
WRTLENFGYLIQQATVFGQHVHVGCANGDDAIYLLHGLSHFVPHFIALSA
ASPYMQGADTRFACARLNIFSAFPDNGPMPWVSNWQEFAGLFRRLSYTTM
IDSIKDLHWDIRPSPAFGTVEVRVMDTPLTLDHAINMAGLIQATAHWLLT
ERPFKPQEQDYLLYKFNRFQACRYGLEGVLTDAYTGDRRRLADDTLRLLD
NVTPSARKLGADSAIDALRLQVKKGGNEAQYMREFIADGGSLIGLVQKHC
EIWA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain1tt4 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1tt4 Structure of NP459575, a predicted glutathione synthase from Salmonella typhimurium
Resolution2.801 Å
Binding residue
(original residue number in PDB)		E17 H136 E237
Binding residue
(residue number reindexed from 1)		E13 H120 E221
Annotation score1
Enzymatic activity
Enzyme Commision number 6.3.2.2: glutamate--cysteine ligase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004357 glutamate-cysteine ligase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0016879 ligase activity, forming carbon-nitrogen bonds
Biological Process
GO:0042398 cellular modified amino acid biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1tt4, PDBe:1tt4, PDBj:1tt4
PDBsum1tt4
PubMed
UniProtQ8ZR41|GCS2_SALTY Putative glutamate--cysteine ligase 2 (Gene Name=ybdK)

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