Structure of PDB 3ig8 Chain A Binding Site BS05

Receptor Information
>3ig8 Chain A (length=672) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLLALGTPLQWFESRTYNEHIRDEGIEQLLYIFQAAGKRDNDPLFWGDEL
EYMVVDFDDKERNSMLDVCHDKILTELNMEDSSLCEANDVSFHPEYGRYM
LEATPASPYLNYVGSYVEVNMQKRRAIAEYKLSEYARQDSKNNLHVGSRS
VPLTLTVFPRMGCPDFINIKDPWNHKNAASRSLFLPDEVINRHVRFPNLT
ASIRTRRGEKVCMNVPMYKDIATPETDDSIYDRDWFLPEDKEAKLASKPG
FIYMDSMGFGMGCSCLQVTFQAPNINKARYLYDALVNFAPIMLAFSAAAP
AFKGWLADQDVRWNVISGAVDDRTPKERGVAPLLPKYNKNGFGGIAKDVQ
DKVLEIPKSRYSSVDLFLGGSKFFNRTYNDTNVPINEKVLGRLLENDKAP
LDYDLAKHFAHLYIRDPVSTFEELLNQDNKTSSNHFENIQSTNWQTLRFK
PPTQQATPDKKDSPGWRVEFRPFEVQLLDFENAAYSVLIYLIVDSILTFS
DNINAYIHMSKVWENMKIAHHRDAILFEKFHWKKSFRNDTDVETEDYSIS
EIFHNPENGIFPQFVTPILCQKGFVTKDWKELKHSSKHERLYYYLKLISD
RASGELPTTAKFFRNFVLQHPDYKHDSKISKSINYDLLSTCDRLTHLDDS
KGELTSFLGAEIAEYVKKNKPS
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 chain3ig8 Chain A Residue 697 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ig8 Mechanistic details of glutathione biosynthesis revealed by crystal structures of Saccharomyces cerevisiae glutamate cysteine ligase.
Resolution2.69 Å
Binding residue
(original residue number in PDB)		E50 E103
Binding residue
(residue number reindexed from 1)		E49 E102
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
Biological Process
GO:0006750 glutathione biosynthetic process
GO:0042542 response to hydrogen peroxide
GO:0046686 response to cadmium ion
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:3ig8, PDBe:3ig8, PDBj:3ig8
PDBsum3ig8
PubMed19726687
UniProtP32477|GSH1_YEAST Glutamate--cysteine ligase (Gene Name=GSH1)

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