Structure of PDB 3ig8 Chain A Binding Site BS01

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 IDGLU
InChIInChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
InChIKeyWHUUTDBJXJRKMK-VKHMYHEASA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(O)C(N)CCC(=O)O
OpenEye OEToolkits 1.7.0C(CC(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.7.0C(CC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[C@@H](CCC(O)=O)C(O)=O
CACTVS 3.370N[CH](CCC(O)=O)C(O)=O
FormulaC5 H9 N O4
NameGLUTAMIC ACID
ChEMBLCHEMBL575060
DrugBankDB00142
ZINCZINC000001482113
PDB chain3ig8 Chain A Residue 693 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		E52 E96 C266 Q268 R313 I317
Binding residue
(residue number reindexed from 1)		E51 E95 C265 Q267 R312 I316
Annotation score5
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3ig8, PDBe:3ig8, PDBj:3ig8
PDBsum3ig8
PubMed19726687
UniProtP32477|GSH1_YEAST Glutamate--cysteine ligase (Gene Name=GSH1)

[Back to BioLiP]