Structure of PDB 1glp Chain A Binding Site BS01

Receptor Information

>1glp Chain A (length=209) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PPYTIVYFPVRGRCEAMRMLLADQGQSWKEEVVTIDTWMQGLLKPTCLYG
QLPKFEDGDLTLYQSNAILRHLGRSLGLYGKNQREAAQMDMVNDGVEDLR
GKYVTLIYTNYENGKNDYVKALPGHLKPFETLLSQNQGGKAFIVGDQISF
ADYNLLDLLLIHQVLAPGCLDNFPLLSAYVARLSARPKIKAFLSSPEHVN
RPINGNGKQ

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

PDB chain

1glp Chain A Residue 210 [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]

PDB	1glp Molecular structure at 1.8 A of mouse liver class pi glutathione S-transferase complexed with S-(p-nitrobenzyl)glutathione and other inhibitors.
Resolution	1.9 Å
Binding residue (original residue number in PDB)	Y7 F8 W38 K44 Q51 L52 Q64 S65
Binding residue (residue number reindexed from 1)	Y7 F8 W38 K44 Q51 L52 Q64 S65
Annotation score	2

Enzymatic activity

Catalytic site (original residue number in PDB)	Y7 R13 R18
Catalytic site (residue number reindexed from 1)	Y7 R13 R18
Enzyme Commision number	2.5.1.18: glutathione transferase.

Gene Ontology

	Molecular Function
GO:0004364	glutathione transferase activity
GO:0008432	JUN kinase binding
GO:0016740	transferase activity
GO:0019207	kinase regulator activity

	Biological Process
GO:0000302	response to reactive oxygen species
GO:0002674	negative regulation of acute inflammatory response
GO:0006629	lipid metabolic process
GO:0006693	prostaglandin metabolic process
GO:0006749	glutathione metabolic process
GO:0006805	xenobiotic metabolic process
GO:0009636	response to toxic substance
GO:0014003	oligodendrocyte development
GO:0031100	animal organ regeneration
GO:0031667	response to nutrient levels
GO:0032355	response to estradiol
GO:0032691	negative regulation of interleukin-1 beta production
GO:0032720	negative regulation of tumor necrosis factor production
GO:0032869	cellular response to insulin stimulus
GO:0032872	regulation of stress-activated MAPK cascade
GO:0032873	negative regulation of stress-activated MAPK cascade
GO:0032930	positive regulation of superoxide anion generation
GO:0033591	response to L-ascorbic acid
GO:0035726	common myeloid progenitor cell proliferation
GO:0043066	negative regulation of apoptotic process
GO:0043124	negative regulation of canonical NF-kappaB signal transduction
GO:0043200	response to amino acid
GO:0045471	response to ethanol
GO:0048147	negative regulation of fibroblast proliferation
GO:0051122	hepoxilin biosynthetic process
GO:0051771	negative regulation of nitric-oxide synthase biosynthetic process
GO:0070372	regulation of ERK1 and ERK2 cascade
GO:0070373	negative regulation of ERK1 and ERK2 cascade
GO:0070664	negative regulation of leukocyte proliferation
GO:0071222	cellular response to lipopolysaccharide
GO:0071364	cellular response to epidermal growth factor stimulus
GO:0071385	cellular response to glucocorticoid stimulus
GO:0071460	cellular response to cell-matrix adhesion
GO:0071638	negative regulation of monocyte chemotactic protein-1 production
GO:1901687	glutathione derivative biosynthetic process
GO:2000429	negative regulation of neutrophil aggregation
GO:2001237	negative regulation of extrinsic apoptotic signaling pathway

	Cellular Component
GO:0005634	nucleus
GO:0005737	cytoplasm
GO:0005739	mitochondrion
GO:0005829	cytosol
GO:0032991	protein-containing complex

View graph for
Molecular Function

View graph for
Biological Process

View graph for
Cellular Component

External links

PDB	RCSB:1glp, PDBe:1glp, PDBj:1glp
PDBsum	1glp
PubMed	8145243
UniProt	P19157\|GSTP1_MOUSE Glutathione S-transferase P 1 (Gene Name=Gstp1)

[Back to BioLiP]