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3CSI

Crystal Structure of the Glutathione Transferase Pi allelic variant*C, I104V/A113V, in complex with the Chlorambucil-Glutathione Conjugate

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
C0000302biological_processresponse to reactive oxygen species
C0002674biological_processnegative regulation of acute inflammatory response
C0004364molecular_functionglutathione transferase activity
C0004602molecular_functionglutathione peroxidase activity
C0005504molecular_functionfatty acid binding
C0005515molecular_functionprotein binding
C0005576cellular_componentextracellular region
C0005615cellular_componentextracellular space
C0005634cellular_componentnucleus
C0005737cellular_componentcytoplasm
C0005739cellular_componentmitochondrion
C0005829cellular_componentcytosol
C0006469biological_processnegative regulation of protein kinase activity
C0006629biological_processlipid metabolic process
C0006693biological_processprostaglandin metabolic process
C0006749biological_processglutathione metabolic process
C0006805biological_processxenobiotic metabolic process
C0007417biological_processcentral nervous system development
C0008432molecular_functionJUN kinase binding
C0009890biological_processnegative regulation of biosynthetic process
C0010804biological_processnegative regulation of tumor necrosis factor-mediated signaling pathway
C0016740molecular_functiontransferase activity
C0019207molecular_functionkinase regulator activity
C0031982cellular_componentvesicle
C0032691biological_processnegative regulation of interleukin-1 beta production
C0032720biological_processnegative regulation of tumor necrosis factor production
C0032872biological_processregulation of stress-activated MAPK cascade
C0032873biological_processnegative regulation of stress-activated MAPK cascade
C0032930biological_processpositive regulation of superoxide anion generation
C0034774cellular_componentsecretory granule lumen
C0035726biological_processcommon myeloid progenitor cell proliferation
C0035730molecular_functionS-nitrosoglutathione binding
C0035731molecular_functiondinitrosyl-iron complex binding
C0035732biological_processnitric oxide storage
C0043066biological_processnegative regulation of apoptotic process
C0043124biological_processnegative regulation of canonical NF-kappaB signal transduction
C0043407biological_processnegative regulation of MAP kinase activity
C0043409biological_processnegative regulation of MAPK cascade
C0043508biological_processnegative regulation of JUN kinase activity
C0043651biological_processlinoleic acid metabolic process
C0048147biological_processnegative regulation of fibroblast proliferation
C0051122biological_processhepoxilin biosynthetic process
C0051771biological_processnegative regulation of nitric-oxide synthase biosynthetic process
C0070026molecular_functionnitric oxide binding
C0070062cellular_componentextracellular exosome
C0070372biological_processregulation of ERK1 and ERK2 cascade
C0070373biological_processnegative regulation of ERK1 and ERK2 cascade
C0070664biological_processnegative regulation of leukocyte proliferation
C0071222biological_processcellular response to lipopolysaccharide
C0071638biological_processnegative regulation of monocyte chemotactic protein-1 production
C0097057cellular_componentTRAF2-GSTP1 complex
C0098869biological_processcellular oxidant detoxification
C1901687biological_processglutathione derivative biosynthetic process
C1904813cellular_componentficolin-1-rich granule lumen
C2001237biological_processnegative regulation of extrinsic apoptotic signaling pathway
D0000302biological_processresponse to reactive oxygen species
D0002674biological_processnegative regulation of acute inflammatory response
D0004364molecular_functionglutathione transferase activity
D0004602molecular_functionglutathione peroxidase activity
D0005504molecular_functionfatty acid binding
D0005515molecular_functionprotein binding
D0005576cellular_componentextracellular region
D0005615cellular_componentextracellular space
D0005634cellular_componentnucleus
D0005737cellular_componentcytoplasm
D0005739cellular_componentmitochondrion
D0005829cellular_componentcytosol
D0006469biological_processnegative regulation of protein kinase activity
D0006629biological_processlipid metabolic process
D0006693biological_processprostaglandin metabolic process
D0006749biological_processglutathione metabolic process
D0006805biological_processxenobiotic metabolic process
D0007417biological_processcentral nervous system development
D0008432molecular_functionJUN kinase binding
D0009890biological_processnegative regulation of biosynthetic process
D0010804biological_processnegative regulation of tumor necrosis factor-mediated signaling pathway
D0016740molecular_functiontransferase activity
D0019207molecular_functionkinase regulator activity
D0031982cellular_componentvesicle
D0032691biological_processnegative regulation of interleukin-1 beta production
D0032720biological_processnegative regulation of tumor necrosis factor production
D0032872biological_processregulation of stress-activated MAPK cascade
D0032873biological_processnegative regulation of stress-activated MAPK cascade
D0032930biological_processpositive regulation of superoxide anion generation
D0034774cellular_componentsecretory granule lumen
D0035726biological_processcommon myeloid progenitor cell proliferation
D0035730molecular_functionS-nitrosoglutathione binding
D0035731molecular_functiondinitrosyl-iron complex binding
D0035732biological_processnitric oxide storage
D0043066biological_processnegative regulation of apoptotic process
D0043124biological_processnegative regulation of canonical NF-kappaB signal transduction
D0043407biological_processnegative regulation of MAP kinase activity
D0043409biological_processnegative regulation of MAPK cascade
D0043508biological_processnegative regulation of JUN kinase activity
D0043651biological_processlinoleic acid metabolic process
D0048147biological_processnegative regulation of fibroblast proliferation
D0051122biological_processhepoxilin biosynthetic process
D0051771biological_processnegative regulation of nitric-oxide synthase biosynthetic process
D0070026molecular_functionnitric oxide binding
D0070062cellular_componentextracellular exosome
D0070372biological_processregulation of ERK1 and ERK2 cascade
D0070373biological_processnegative regulation of ERK1 and ERK2 cascade
D0070664biological_processnegative regulation of leukocyte proliferation
D0071222biological_processcellular response to lipopolysaccharide
D0071638biological_processnegative regulation of monocyte chemotactic protein-1 production
D0097057cellular_componentTRAF2-GSTP1 complex
D0098869biological_processcellular oxidant detoxification
D1901687biological_processglutathione derivative biosynthetic process
D1904813cellular_componentficolin-1-rich granule lumen
D2001237biological_processnegative regulation of extrinsic apoptotic signaling pathway
Functional Information from PDB Data
site_idAC1
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL A 210
ChainResidue
AARG13
AHOH256
AHOH273

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE MES A 211
ChainResidue
AALA22
ATRP28
AGLU197
AHOH272
AHOH303
AHOH386

site_idAC3
Number of Residues22
DetailsBINDING SITE FOR RESIDUE LZ6 A 212
ChainResidue
APHE8
APRO9
AVAL10
AARG13
AVAL35
ATRP38
ALYS44
AGLN51
ALEU52
APRO53
AGLN64
ASER65
ATYR108
AGLY205
AGSH213
AHOH223
AHOH235
AHOH273
AHOH309
AHOH332
AHOH421
BASP98

site_idAC4
Number of Residues17
DetailsBINDING SITE FOR RESIDUE GSH A 213
ChainResidue
APHE8
AARG13
ATRP38
ALYS44
AGLY50
AGLN51
ALEU52
AGLN64
ASER65
ALZ6212
AHOH219
AHOH273
AHOH309
AHOH332
AHOH431
AHOH432
BASP98

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE CO3 B 210
ChainResidue
BGLN147
BILE148
BARG186
BHOH306

site_idAC6
Number of Residues7
DetailsBINDING SITE FOR RESIDUE CA B 211
ChainResidue
BGLY77
BGLN147
BHOH260
BHOH299
BHOH303
BHOH319
BHOH326

site_idAC7
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 213
ChainResidue
BSER27
BTRP28
BMES215

site_idAC8
Number of Residues3
DetailsBINDING SITE FOR RESIDUE CL B 214
ChainResidue
BARG13
BVAL104
BHOH255

site_idAC9
Number of Residues7
DetailsBINDING SITE FOR RESIDUE MES B 215
ChainResidue
BALA22
BTRP28
BPHE192
BGLU197
BSO4213
BHOH234
BHOH374

site_idBC1
Number of Residues21
DetailsBINDING SITE FOR RESIDUE LZ6 B 216
ChainResidue
AASP98
BPHE8
BPRO9
BVAL10
BARG13
BVAL35
BTRP38
BLYS44
BGLN51
BLEU52
BPRO53
BGLN64
BSER65
BGLY205
BGSH217
BHOH228
BHOH240
BHOH254
BHOH267
BHOH281
BHOH321

site_idBC2
Number of Residues18
DetailsBINDING SITE FOR RESIDUE GSH B 217
ChainResidue
BGLN51
BLEU52
BPRO53
BGLN64
BSER65
BLZ6216
BHOH240
BHOH254
BHOH267
BHOH321
BHOH330
BHOH419
AASP98
BPHE8
BARG13
BTRP38
BLYS44
BGLY50

site_idBC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL C 210
ChainResidue
CARG13
CHOH272

site_idBC4
Number of Residues24
DetailsBINDING SITE FOR RESIDUE LZ6 C 211
ChainResidue
CPHE8
CPRO9
CVAL10
CARG13
CTHR34
CVAL35
CTRP38
CLYS44
CGLN51
CLEU52
CPRO53
CGLN64
CSER65
CTYR108
CGLY205
CGSH212
CHOH225
CHOH226
CHOH230
CHOH308
CHOH374
CHOH403
CHOH405
DASP98

site_idBC5
Number of Residues16
DetailsBINDING SITE FOR RESIDUE GSH C 212
ChainResidue
CPHE8
CARG13
CTRP38
CLYS44
CGLY50
CGLN51
CLEU52
CGLN64
CSER65
CLZ6211
CHOH226
CHOH308
CHOH309
CHOH353
CHOH405
DASP98

site_idBC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE CA D 210
ChainResidue
DGLY77
DGLN147
DHOH478
DHOH500
DHOH504
DHOH513

site_idBC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CA D 211
ChainResidue
DGLU30
DHOH569

site_idBC8
Number of Residues2
DetailsBINDING SITE FOR RESIDUE CL D 212
ChainResidue
DARG13
DHOH470

site_idBC9
Number of Residues5
DetailsBINDING SITE FOR RESIDUE MES D 213
ChainResidue
DALA22
DTRP28
DLYS188
DGLU197
DHOH587

site_idCC1
Number of Residues23
DetailsBINDING SITE FOR RESIDUE LZ6 D 214
ChainResidue
CASP98
DPHE8
DVAL10
DARG13
DTRP38
DLYS44
DGLN51
DLEU52
DPRO53
DGLN64
DSER65
DTYR108
DGLY205
DGSH215
DHOH454
DHOH463
DHOH464
DHOH489
DHOH495
DHOH510
DHOH537
DHOH579
DHOH581

site_idCC2
Number of Residues16
DetailsBINDING SITE FOR RESIDUE GSH D 215
ChainResidue
CASP98
DPHE8
DARG13
DTRP38
DLYS44
DGLY50
DGLN51
DLEU52
DGLN64
DSER65
DLZ6214
DHOH454
DHOH464
DHOH489
DHOH510
DHOH581

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues24
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
CTYR7
CARG13
CTRP38
CLYS44
CGLN51
CGLN64
DTYR7
AARG13
DARG13
DTRP38
DLYS44
DGLN51
DGLN64
ATRP38
ALYS44
AGLN51
AGLN64
BTYR7
BARG13
BTRP38

site_idSWS_FT_FI2
Number of Residues8
DetailsMOD_RES: Phosphotyrosine; by EGFR => ECO:0000269|PubMed:19254954
ChainResidueDetails
ATYR3
ATYR198
BTYR3
BTYR198
CTYR3
CTYR198
DTYR3
DTYR198

site_idSWS_FT_FI3
Number of Residues4
DetailsMOD_RES: Phosphothreonine => ECO:0007744|PubMed:23186163
ChainResidueDetails
ATHR61
BTHR61
CTHR61
DTHR61

site_idSWS_FT_FI4
Number of Residues8
DetailsMOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:P19157
ChainResidueDetails
ALYS102
ALYS115
BLYS102
BLYS115
CLYS102
CLYS115
DLYS102
DLYS115

site_idSWS_FT_FI5
Number of Residues4
DetailsMOD_RES: N6-acetyllysine => ECO:0007744|PubMed:19608861
ChainResidueDetails
ALYS127
BLYS127
CLYS127
DLYS127

Catalytic Information from CSA
site_idCSA1
Number of Residues1
DetailsAnnotated By Reference To The Literature 1oe8
ChainResidueDetails
ATYR7

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1oe8
ChainResidueDetails
BTYR7

site_idCSA3
Number of Residues1
DetailsAnnotated By Reference To The Literature 1oe8
ChainResidueDetails
CTYR7

site_idCSA4
Number of Residues1
DetailsAnnotated By Reference To The Literature 1oe8
ChainResidueDetails
DTYR7

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PDB entries from 2024-07-24

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