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3KMO

Crystal Structure of the Human GST Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate (Grown in the Absence of the Reducing Agent DTT)

Functional Information from GO Data
ChainGOidnamespacecontents
A0000302biological_processresponse to reactive oxygen species
A0002674biological_processnegative regulation of acute inflammatory response
A0004364molecular_functionglutathione transferase activity
A0004602molecular_functionglutathione peroxidase activity
A0005504molecular_functionfatty acid binding
A0005515molecular_functionprotein binding
A0005576cellular_componentextracellular region
A0005615cellular_componentextracellular space
A0005634cellular_componentnucleus
A0005737cellular_componentcytoplasm
A0005739cellular_componentmitochondrion
A0005829cellular_componentcytosol
A0006469biological_processnegative regulation of protein kinase activity
A0006629biological_processlipid metabolic process
A0006693biological_processprostaglandin metabolic process
A0006749biological_processglutathione metabolic process
A0006805biological_processxenobiotic metabolic process
A0007417biological_processcentral nervous system development
A0008432molecular_functionJUN kinase binding
A0009890biological_processnegative regulation of biosynthetic process
A0010804biological_processnegative regulation of tumor necrosis factor-mediated signaling pathway
A0016740molecular_functiontransferase activity
A0019207molecular_functionkinase regulator activity
A0031982cellular_componentvesicle
A0032691biological_processnegative regulation of interleukin-1 beta production
A0032720biological_processnegative regulation of tumor necrosis factor production
A0032872biological_processregulation of stress-activated MAPK cascade
A0032873biological_processnegative regulation of stress-activated MAPK cascade
A0032930biological_processpositive regulation of superoxide anion generation
A0034774cellular_componentsecretory granule lumen
A0035726biological_processcommon myeloid progenitor cell proliferation
A0035730molecular_functionS-nitrosoglutathione binding
A0035731molecular_functiondinitrosyl-iron complex binding
A0035732biological_processnitric oxide storage
A0043066biological_processnegative regulation of apoptotic process
A0043124biological_processnegative regulation of canonical NF-kappaB signal transduction
A0043407biological_processnegative regulation of MAP kinase activity
A0043409biological_processnegative regulation of MAPK cascade
A0043508biological_processnegative regulation of JUN kinase activity
A0043651biological_processlinoleic acid metabolic process
A0048147biological_processnegative regulation of fibroblast proliferation
A0051122biological_processhepoxilin biosynthetic process
A0051771biological_processnegative regulation of nitric-oxide synthase biosynthetic process
A0070026molecular_functionnitric oxide binding
A0070062cellular_componentextracellular exosome
A0070372biological_processregulation of ERK1 and ERK2 cascade
A0070373biological_processnegative regulation of ERK1 and ERK2 cascade
A0070664biological_processnegative regulation of leukocyte proliferation
A0071222biological_processcellular response to lipopolysaccharide
A0071638biological_processnegative regulation of monocyte chemotactic protein-1 production
A0097057cellular_componentTRAF2-GSTP1 complex
A0098869biological_processcellular oxidant detoxification
A1901687biological_processglutathione derivative biosynthetic process
A1904813cellular_componentficolin-1-rich granule lumen
A2001237biological_processnegative regulation of extrinsic apoptotic signaling pathway
B0000302biological_processresponse to reactive oxygen species
B0002674biological_processnegative regulation of acute inflammatory response
B0004364molecular_functionglutathione transferase activity
B0004602molecular_functionglutathione peroxidase activity
B0005504molecular_functionfatty acid binding
B0005515molecular_functionprotein binding
B0005576cellular_componentextracellular region
B0005615cellular_componentextracellular space
B0005634cellular_componentnucleus
B0005737cellular_componentcytoplasm
B0005739cellular_componentmitochondrion
B0005829cellular_componentcytosol
B0006469biological_processnegative regulation of protein kinase activity
B0006629biological_processlipid metabolic process
B0006693biological_processprostaglandin metabolic process
B0006749biological_processglutathione metabolic process
B0006805biological_processxenobiotic metabolic process
B0007417biological_processcentral nervous system development
B0008432molecular_functionJUN kinase binding
B0009890biological_processnegative regulation of biosynthetic process
B0010804biological_processnegative regulation of tumor necrosis factor-mediated signaling pathway
B0016740molecular_functiontransferase activity
B0019207molecular_functionkinase regulator activity
B0031982cellular_componentvesicle
B0032691biological_processnegative regulation of interleukin-1 beta production
B0032720biological_processnegative regulation of tumor necrosis factor production
B0032872biological_processregulation of stress-activated MAPK cascade
B0032873biological_processnegative regulation of stress-activated MAPK cascade
B0032930biological_processpositive regulation of superoxide anion generation
B0034774cellular_componentsecretory granule lumen
B0035726biological_processcommon myeloid progenitor cell proliferation
B0035730molecular_functionS-nitrosoglutathione binding
B0035731molecular_functiondinitrosyl-iron complex binding
B0035732biological_processnitric oxide storage
B0043066biological_processnegative regulation of apoptotic process
B0043124biological_processnegative regulation of canonical NF-kappaB signal transduction
B0043407biological_processnegative regulation of MAP kinase activity
B0043409biological_processnegative regulation of MAPK cascade
B0043508biological_processnegative regulation of JUN kinase activity
B0043651biological_processlinoleic acid metabolic process
B0048147biological_processnegative regulation of fibroblast proliferation
B0051122biological_processhepoxilin biosynthetic process
B0051771biological_processnegative regulation of nitric-oxide synthase biosynthetic process
B0070026molecular_functionnitric oxide binding
B0070062cellular_componentextracellular exosome
B0070372biological_processregulation of ERK1 and ERK2 cascade
B0070373biological_processnegative regulation of ERK1 and ERK2 cascade
B0070664biological_processnegative regulation of leukocyte proliferation
B0071222biological_processcellular response to lipopolysaccharide
B0071638biological_processnegative regulation of monocyte chemotactic protein-1 production
B0097057cellular_componentTRAF2-GSTP1 complex
B0098869biological_processcellular oxidant detoxification
B1901687biological_processglutathione derivative biosynthetic process
B1904813cellular_componentficolin-1-rich granule lumen
B2001237biological_processnegative regulation of extrinsic apoptotic signaling pathway
Functional Information from PDB Data
site_idAC1
Number of Residues15
DetailsBINDING SITE FOR RESIDUE GSH A 210
ChainResidue
ATYR7
AEAA214
AHOH250
AHOH251
AHOH252
AHOH263
BASP98
APHE8
AARG13
ATRP38
ALYS44
AGLN51
ALEU52
AGLN64
ASER65

site_idAC2
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CA A 211
ChainResidue
AGLU30
AHOH271
BASP171

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CA A 212
ChainResidue
ATRP28
BASP171

site_idAC4
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CA A 213
ChainResidue
AASP171
BGLU30
BHOH308

site_idAC5
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EAA A 214
ChainResidue
APHE8
AVAL35
ATRP38
AGLY205
AGSH210
AHOH249

site_idAC6
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CA A 215
ChainResidue
AGLY77
AGLN147
AHOH312

site_idAC7
Number of Residues16
DetailsBINDING SITE FOR RESIDUE GSH B 210
ChainResidue
AASP98
BTYR7
BPHE8
BARG13
BTRP38
BLYS44
BGLN51
BLEU52
BGLN64
BSER65
BEAA213
BHOH220
BHOH227
BHOH244
BHOH245
BHOH273

site_idAC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CA B 211
ChainResidue
AASP171
BTRP28

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CA B 212
ChainResidue
BGLY77
BGLN147
BHOH253

site_idBC1
Number of Residues8
DetailsBINDING SITE FOR RESIDUE EAA B 213
ChainResidue
BTYR7
BPHE8
BVAL10
BVAL35
BTRP38
BASN204
BGLY205
BGSH210

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues12
DetailsBINDING: BINDING => ECO:0000269|PubMed:1522586, ECO:0000269|PubMed:19396894, ECO:0000269|PubMed:19808963, ECO:0000269|PubMed:9012673, ECO:0000269|PubMed:9245401, ECO:0000269|PubMed:9351803, ECO:0000269|PubMed:9398518
ChainResidueDetails
ATYR7
BLYS44
BGLN51
BGLN64
AARG13
ATRP38
ALYS44
AGLN51
AGLN64
BTYR7
BARG13
BTRP38

site_idSWS_FT_FI2
Number of Residues4
DetailsMOD_RES: Phosphotyrosine; by EGFR => ECO:0000269|PubMed:19254954
ChainResidueDetails
ATYR3
ATYR198
BTYR3
BTYR198

site_idSWS_FT_FI3
Number of Residues2
DetailsMOD_RES: Phosphothreonine => ECO:0007744|PubMed:23186163
ChainResidueDetails
ATHR61
BTHR61

site_idSWS_FT_FI4
Number of Residues4
DetailsMOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:P19157
ChainResidueDetails
ALYS102
ALYS115
BLYS102
BLYS115

site_idSWS_FT_FI5
Number of Residues2
DetailsMOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861
ChainResidueDetails
ALYS127
BLYS127

220113

PDB entries from 2024-05-22

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