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Structure of PDB 6f05 Chain G Binding Site BS01

Receptor Information >6f05 Chain G (length=198) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure] LKVYGPHFASPKRALVTLIEKGVAFETIPVDLMKGEHKQPAYLALQPFGT VPAVVDGDYKIFESRAVMRYVAEKYRSQGPDLLGKTVEDRGQVEQWLDVE ATTYHPPLLNLTLDEKLIKESEEKLAGVLDVYEAHLSKSKYLAGDFVSLA DLAHLPFTDYLVGPIGKAYMIKDRKHVSAWWDDISSRPAWKETVAKYS

Ligand information Ligand ID GTS InChI InChI=1S/C10H17N3O9S/c11-5(10(18)19)1-2-7(14)13-6(4-23(20,21)22)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21,22)/t5-,6-/m0/s1 InChIKey QGWRMTHFAZVWAM-WDSKDSINSA-N SMILES Software SMILES OpenEye OEToolkits 1.5.0 C(CC(=O)NC(CS(=O)(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N CACTVS 3.341 N[CH](CCC(=O)N[CH](C[S](O)(=O)=O)C(=O)NCC(O)=O)C(O)=O OpenEye OEToolkits 1.5.0 C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N CACTVS 3.341 N[C@@H](CCC(=O)N[C@@H](C[S](O)(=O)=O)C(=O)NCC(O)=O)C(O)=O ACDLabs 10.04 O=C(NC(C(=O)NCC(=O)O)CS(=O)(=O)O)CCC(C(=O)O)N Formula C10 H17 N3 O9 S Name GLUTATHIONE SULFONIC ACID ChEMBL DrugBank DB03003 ZINC ZINC000001616624 PDB chain 6f05 Chain G Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure Global view Local view Structure 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] PDB 6f05 Redox-regulated methionine oxidation of Arabidopsis thaliana glutathione transferase Phi9 induces H-site flexibility. Resolution 2.2 Å Binding residue (original residue number in PDB) S12 H39 T52 V53 E65 S66 F171 Binding residue (residue number reindexed from 1) S10 H37 T50 V51 E63 S64 F157 Annotation score 2 Binding affinity MOAD: Ki=34uM

Enzymatic activity Enzyme Commision number 2.5.1.18: glutathione transferase.

Gene Ontology Molecular Function GO:0004364 glutathione transferase activity GO:0004601 peroxidase activity GO:0004602 glutathione peroxidase activity GO:0005507 copper ion binding GO:0016740 transferase activity GO:0043295 glutathione binding GO:1901149 salicylic acid binding

	Biological Process
GO:0006952	defense response
GO:0009407	toxin catabolic process
GO:0009636	response to toxic substance
GO:0010043	response to zinc ion
GO:0046686	response to cadmium ion
GO:0098869	cellular oxidant detoxification

	Cellular Component
GO:0000325	plant-type vacuole
GO:0005737	cytoplasm
GO:0005777	peroxisome
GO:0005829	cytosol
GO:0005886	plasma membrane
GO:0009506	plasmodesma
GO:0009507	chloroplast
GO:0009570	chloroplast stroma
GO:0009579	thylakoid
GO:0048046	apoplast

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