Structure of PDB 3lvw Chain A Binding Site BS01

Receptor Information
>3lvw 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 IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain3lvw Chain A Residue 693 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lvw Structural basis for feedback and pharmacological inhibition of Saccharomyces cerevisiae glutamate cysteine ligase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E52 E96 R196 F197 M262 C266 I317 Y362 W445
Binding residue
(residue number reindexed from 1)		E51 E95 R195 F196 M261 C265 I316 Y361 W444
Annotation score2
Binding affinityMOAD: Ki=2.12mM
PDBbind-CN: -logKd/Ki=2.67,Ki=2.12mM
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:3lvw, PDBe:3lvw, PDBj:3lvw
PDBsum3lvw
PubMed20220146
UniProtP32477|GSH1_YEAST Glutamate--cysteine ligase (Gene Name=GSH1)

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