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3csj

Human glutathione s-transferase p1-1 in complex with chlorambucil

Method: X-RAY DIFFRACTION Dmax: 65.3 Å Quality: EXCELLENT
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Glutathione S-transferase P

Homo sapiens

UniProt P09211

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 2–210 Chain B； UniProt 2–210 Not recorded CL CHLORIDE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 CBL CHLORAMBUCIL × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.4；277 K；Resevior solution contained: 25% (w/v) ammonium sulfate, 60mM DTT, 100mM MES and 10% (v/v) glycerol. Solid chlorambucil was streaked into the drop., pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K Resolution 1.90 Å R-free 0.233

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 3CSJ Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
10GS HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH TER117 Deposited 1997-08-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded VWW L-gamma-glutamyl-S-benzyl-N-[(S)-carboxy(phenyl)methyl]-L-cysteinamide × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.8；pH 5.8
Resolution 2.20 Å R-free 0.214
11GS Glutathione s-transferase complexed with ethacrynic acid-glutathione conjugate (form ii) Deposited 1997-11-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded GSH Glutathione × 2 EAA ETHACRYNIC ACID × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.4；pH 6.4
Resolution 2.30 Å R-free 0.270
12GS GLUTATHIONE S-TRANSFERASE COMPLEXED WITH S-NONYL-GLUTATHIONE Deposited 1997-11-19 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded 0HH L-gamma-glutamyl-S-nonyl-L-cysteinylglycine × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.4；pH 5.4
Resolution 2.10 Å R-free 0.261
13GS GLUTATHIONE S-TRANSFERASE COMPLEXED WITH SULFASALAZINE Deposited 1997-11-20 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded GSH Glutathione × 2 SAS 2-HYDROXY-(5-([4-(2-PYRIDINYLAMINO)SULFONYL]PHENYL)AZO)BENZOIC ACID × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.4；pH 5.4
Resolution 1.90 Å R-free 0.222
14GS GLUTATHIONE S-TRANSFERASE P1-1 APO FORM 1 Deposited 1997-11-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.6；pH 6.6
Resolution 2.80 Å R-free 0.240
16GS GLUTATHIONE S-TRANSFERASE P1-1 APO FORM 3 Deposited 1997-11-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded SO4 SULFATE ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.8；pH 5.8
Resolution 1.90 Å R-free 0.263
17GS GLUTATHIONE S-TRANSFERASE P1-1 Deposited 1997-12-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Mutation：K54A Mutation：K54A GTX S-HEXYLGLUTATHIONE × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.6；pH 6.6
Resolution 1.90 Å R-free 0.200
18GS GLUTATHIONE S-TRANSFERASE P1-1 COMPLEXED WITH 1-(S-GLUTATHIONYL)-2,4-DINITROBENZENE Deposited 1997-12-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded GDN GLUTATHIONE S-(2,4 DINITROBENZENE) × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.4；pH 5.4
Resolution 1.90 Å R-free 0.238
19GS Glutathione s-transferase p1-1 Deposited 1997-12-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded BSP 3,3'-(4,5,6,7-TETRABROMO-3-OXO-1(3H)-ISOBENZOFURANYLIDENE)BIS [6-HYDROXYBENZENESULFONIC ACID]ANION × 2 GSH Glutathione × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions hanging drop；pH 6；CRYSTALLISATION PERFORMED USING THE HANGING DROP TECHNIQUE. 2 MICROL OF PROTEIN SOLUTION (8MG/ML) IN 10MM PHOSPHATE BUFFER PH7.0, 1MM EDTA AND 2MM BETA-MERCAPTOETHANOL WAS ADDED TO 2 MICROL OF RESERVOIR SOLUTION. THE RESERVOIR CONTAINED 20-25% AMMONIUM SULFATE, 30-60 MM DITHIOTHREITOL AND 100MM MORPHOLINOETHANESULFONIC ACID BUFFER PH5.4. DROPS WERE STREAK SEEDED AFTER 1 DAY USING A CAT'S WHISKER FROM CRYSTALS GROWN UNDER SIMILAR CONDITIONS. AFTER X DAYS, THE CRYSTAL WAS TRANSFERED TO ARTIFICIAL MOTHER LIQUOR WHICH LACKED DITHIOTHREITOL. SOLID BROMOSULFALEIN WAS SEEDED INTO THE DROP. SEVEN WEEKS LATER THE CRYSTALS WERE SUBJECTED TO X-RAY ANALYSIS., pH 6.0, hanging drop
Resolution 1.90 Å R-free 0.249
1AQV GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH P-BROMOBENZYLGLUTATHIONE Deposited 1997-08-01 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded 0HG N-[(4S)-4-ammonio-4-carboxybutanoyl]-S-(4-bromobenzyl)-L-cysteinylglycine × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.94 Å R-free 0.252
1AQW GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE Deposited 1997-08-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded GSH Glutathione × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.80 Å R-free 0.261
1AQW GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH GLUTATHIONE Deposited 1997-08-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 1–209（209 aa）
Chain D 1–209（209 aa）
Not recorded GSH Glutathione × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 1.80 Å R-free 0.261
1AQX GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH MEISENHEIMER COMPLEX Deposited 1997-08-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded GTD 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.00 Å R-free 0.283
1AQX GLUTATHIONE S-TRANSFERASE IN COMPLEX WITH MEISENHEIMER COMPLEX Deposited 1997-08-03 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 1–209（209 aa）
Chain D 1–209（209 aa）
Not recorded GTD 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.00 Å R-free 0.283
1EOG CRYSTAL STRUCTURE OF PI CLASS GLUTATHIONE TRANSFERASE Deposited 2000-03-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 3–210（208 aa）
Chain B 3–210（208 aa）
Mutation：S149A Mutation：S149A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；25% ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 20K
Resolution 2.10 Å R-free 0.238
1EOH GLUTATHIONE TRANSFERASE P1-1 Deposited 2000-03-22 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–210（209 aa）
Chain B 2–210（209 aa）
Mutation：D152A Mutation：D152A No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å R-free 0.286
1EOH GLUTATHIONE TRANSFERASE P1-1 Deposited 2000-03-22 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 2–210（209 aa）
Chain D 2–210（209 aa）
Mutation：D152A Mutation：D152A No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å R-free 0.286
1EOH GLUTATHIONE TRANSFERASE P1-1 Deposited 2000-03-22 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain E 2–210（209 aa）
Chain F 2–210（209 aa）
Mutation：D152A Mutation：D152A No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å R-free 0.286
1EOH GLUTATHIONE TRANSFERASE P1-1 Deposited 2000-03-22 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain G 2–210（209 aa）
Chain H 2–210（209 aa）
Mutation：D152A Mutation：D152A No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.50 Å R-free 0.286
1GSS THREE-DIMENSIONAL STRUCTURE OF CLASS PI GLUTATHIONE S-TRANSFERASE FROM HUMAN PLACENTA IN COMPLEX WITH S-HEXYLGLUTATHIONE AT 2.8 ANGSTROMS RESOLUTION Deposited 1992-05-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded LEE L-gamma-glutamyl-S-hexyl-L-cysteinylglycine × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å
1KBN Glutathione transferase mutant Deposited 2001-11-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Mutation：I148A,Y153A Mutation：I148A,Y153A GSH Glutathione × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.244
1LBK Crystal structure of a recombinant glutathione transferase, created by replacing the last seven residues of each subunit of the human class pi isoenzyme with the additional C-terminal helix of human class alpha isoenzyme Deposited 2002-04-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–202（202 aa）
Chain B 1–202（202 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 GSH Glutathione × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；PEG 8000, calcium chloride, glutathione, (R,R)-1,4-dithiothreitol, 2-[N-morpholino]ethanesulphonic acid, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.86 Å R-free 0.224
1MD3 A folding mutant of human class pi glutathione transferase, created by mutating glycine 146 of the wild-type protein to alanine Deposited 2002-08-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Mutation：G145A Mutation：G145A MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 GSH Glutathione × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；295 K；MES, PEG 8000, calcium chloride, DTT(dithiothreitol), glutathione(reduced), pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.03 Å R-free 0.218
1MD4 A folding mutant of human class pi glutathione transferase, created by mutating glycine 146 of the wild-type protein to valine Deposited 2002-08-06 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Mutation：G145V Mutation：G145V MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 GSH Glutathione × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；295 K；MES, PEG 8000, calcium chloride, DTT(dithiothreitol), glutathione(reduced), pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.10 Å R-free 0.235
1PGT CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH S-HEXYLGLUTATHIONE Deposited 1997-02-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Mutation：VAL 104 VARIANT Mutation：VAL 104 VARIANT GTX S-HEXYLGLUTATHIONE × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；CRYSTALS WERE GROWN IN HANGING DROPS WHICH INITIALLY CONSISTED OF 5.9 MG/ML PROTEIN IN 0.1 M HEPES BUFFER (PH 6.5) CONTAINING 8.3 MM S-HEXYLGLUTATHIONE AND 1.0 M BUFFERED (PH 6.5) AMMONIUM SULFATE. THE DROPS WERE EQUILIBRATED AT 293 K AGAINST WELL SOLUTION CONTAINING BETWEEN 1.9 - 2.0 M AMMONIUM SULFATE IN 0.1 M HEPES BUFFER (PH 6.5)., vapor diffusion - hanging drop
Resolution 1.80 Å
1PX6 A folding mutant of human class pi glutathione transferase, created by mutating aspartate 153 of the wild-type protein to asparagine Deposited 2003-07-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Mutation：D152N Mutation：D152N MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 GSH Glutathione × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；295 K；MES, PEG 8000, CALCIUM CHLORIDE, DTT(DITHIOTHREITOL), GLUTATHIONE(REDUCED), pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.10 Å R-free 0.235
1PX7 A folding mutant of human class pi glutathione transferase, created by mutating aspartate 153 of the wild-type protein to glutamate Deposited 2003-07-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Mutation：D152E Mutation：D152E MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 GSH Glutathione × 2 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；295 K；MES, PEG 8000, CALCIUM CHLORIDE, DTT(DITHIOTHREITOL), GLUTATHIONE(REDUCED), pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.03 Å R-free 0.218
1ZGN Crystal Structure of the Glutathione Transferase Pi in Complex with Dinitrosyl-diglutathionyl Iron Complex Deposited 2005-04-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded FE FE (III) ION × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 GSH Glutathione × 2 NO NITRIC OXIDE × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；295.15 K；MES, PEG 8000, Calcuim chloride, DTT, GSH, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K
Resolution 2.10 Å R-free 0.244
20GS GLUTATHIONE S-TRANSFERASE P1-1 COMPLEXED WITH CIBACRON BLUE Deposited 1997-12-16 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 CBD CIBACRON BLUE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions vapor diffusion - hanging drop - streak seeding；pH 6；CRYSTALLISATION PERFORMED USING THE HANGING DROP TECHNIQUE. 2 MICROL OF PROTEIN SOLUTION (8MG/ML) IN 10MM PHOSPHATE BUFFER PH7.0, 1MM EDTA AND 2MM BETA-MERCAPTOETHANOL WAS ADDED TO 2 MICROL OF RESERVOIR SOLUTION. THE RESERVOIR CONTAINED 20-25% AMMONIUM SULFATE, 30-60 MM DITHIOTHREITOL AND 100MM MORPHOLINOETHANESULFONIC ACID BUFFER PH5.4. DROPS WERE STREAK SEEDED AFTER 1 DAY USING A CAT'S WHISKER FROM CRYSTALS GROWN UNDER SIMILAR CONDITIONS. SOLID CIBACRON BLUE WAS SEEDED INTO THE DROP. SIX WEEKS LATER THE CRYSTALS WERE SUBJECTED TO X-RAY ANALYSIS., pH 6.0, vapor diffusion - hanging drop - streak seeding
Resolution 2.45 Å R-free 0.280
22GS HUMAN GLUTATHIONE S-TRANSFERASE P1-1 Y49F MUTANT Deposited 1998-03-10 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Mutation：Y49F Mutation：Y49F MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.4；pH 5.4
Resolution 1.90 Å R-free 0.230
2A2R Crystal Structure of Glutathione Transferase Pi in complex with S-nitrosoglutathione Deposited 2005-06-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 GSN 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE × 2 CA CALCIUM ION × 1 CO3 CARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；295.15 K；MES, PEG 8000, Calcium Chloride, DTT, GSH, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K
Resolution 1.40 Å R-free 0.213
2A2S Crystal Structure of Human Glutathione Transferase in complex with S-nitrosoglutathione in the absence of reducing agent Deposited 2005-06-23 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 GSN 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE × 2 CA CALCIUM ION × 1 CO3 CARBONATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；295.15 K；MES, PEG 8000, Calcium chloride, GSNO, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.15K
Resolution 1.70 Å R-free 0.208
2GSS HUMAN GLUTATHIONE S-TRANSFERASE P1-1 IN COMPLEX WITH ETHACRYNIC ACID Deposited 1996-10-29 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded SO4 SULFATE ION × 1 EAA ETHACRYNIC ACID × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.4；pH 5.4
Resolution 1.90 Å R-free 0.229
2J9H Crystal structure of human glutathione-S-transferase P1-1 cys-free mutant in complex with S-hexylglutathione at 2.4 A resolution Deposited 2006-11-08 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–210（209 aa）
Chain B 2–210（209 aa）
Mutation：YES Mutation：YES GTX S-HEXYLGLUTATHIONE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；SITTING DROP VAPOUR TECHNIQUE, 1 MICROLITRE OF PROTEIN AT 10 MG/ML IN 20 MM TRIS-HCL, PH 8.0 CONTAINING 5MM S-HEXYLGLUTATHIONE WAS MIXED WITH 1 MICROLITRE OF RESERVOIR SOLUTION, COMPOSED OF 1.5M AMMONIUM SULFATE AND 100MM SODIUM CITRATE
Resolution 2.40 Å R-free 0.310
2PGT CRYSTAL STRUCTURE OF HUMAN GLUTATHIONE S-TRANSFERASE P1-1[V104] COMPLEXED WITH (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE Deposited 1997-02-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Mutation：VAL 104 VARIANT Mutation：VAL 104 VARIANT SO4 SULFATE ION × 1 GPR (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；CRYSTALS WERE GROWN IN HANGING DROPS WHICH INITIALLY CONSISTED OF 5.9 MG/ML PROTEIN IN 0.1 M HEPES BUFFER (PH 7.0) CONTAINING 8.3 MM S-HEXYLGLUTATHIONE AND 1.0 M BUFFERED (PH 7.0) AMMONIUM SULFATE. THE DROPS WERE EQUILIBRATED AT 293 K AGAINST WELL SOLUTION CONTAINING BETWEEN 1.9 - 2.0 M AMMONIUM SULFATE IN 0.1 M HEPES BUFFER (PH 7.0)., vapor diffusion - hanging drop
Resolution 1.90 Å
3CSH Crystal Structure of Glutathione Transferase Pi in complex with the Chlorambucil-Glutathione Conjugate Deposited 2008-04-09 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–210（209 aa）
Chain B 2–210（209 aa）
Not recorded CL CHLORIDE ION × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 LZ6 L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-L-cysteinylglycine × 2 GSH Glutathione × 2 CA CALCIUM ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；295 K；Solid chlorambucil was added to preformed GST crystals cocrystallised with glutathione , pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.55 Å R-free 0.200
3CSI Crystal Structure of the Glutathione Transferase Pi allelic variant*C, I104V/A113V, in complex with the Chlorambucil-Glutathione Conjugate Deposited 2008-04-09 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 2–210（209 aa）
Chain D 2–210（209 aa）
Mutation：I105V, A114V Mutation：I105V, A114V CL CHLORIDE ION × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 LZ6 L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-L-cysteinylglycine × 2 GSH Glutathione × 2 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；Resevior solution contained: 100mM MES, 22% PEG 8000, 20mM CaCl2, 10mM DTT and 10mM GSH. Soaking conditions as above, minus DTT, plus 2mM Chlorambucil dissolved in ethanol., pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.90 Å R-free 0.222
3CSI Crystal Structure of the Glutathione Transferase Pi allelic variant*C, I104V/A113V, in complex with the Chlorambucil-Glutathione Conjugate Deposited 2008-04-09 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–210（209 aa）
Chain B 2–210（209 aa）
Mutation：I105V, A114V Mutation：I105V, A114V CL CHLORIDE ION × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 LZ6 L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-L-cysteinylglycine × 2 GSH Glutathione × 2 CO3 CARBONATE ION × 1 CA CALCIUM ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；Resevior solution contained: 100mM MES, 22% PEG 8000, 20mM CaCl2, 10mM DTT and 10mM GSH. Soaking conditions as above, minus DTT, plus 2mM Chlorambucil dissolved in ethanol., pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 1.90 Å R-free 0.222
3DD3 Crystal Structure of the Glutathione Transferase Pi enzyme in complex with the bifunctional inhibitor, Etharapta Deposited 2008-06-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 RUC (eta6-benzene)ruthenium × 1 GSH Glutathione × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；100mM MES buffer pH 5.5 or 6.0, 22%(w/v) PEG 8000, 20mM CaCl2, 10mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.25 Å R-free 0.260
3DGQ Crystal structure of the glutathione transferase PI enzyme in complex with the bifunctional inhibitor, etharapta Deposited 2008-06-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Not recorded CL CHLORIDE ION × 2 EAA ETHACRYNIC ACID × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 CA CALCIUM ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；100mM MES BUFFER PH 5.5, 22%(W/V) PEG 8000, 20mM CACL2, 10mM DTT, Small amounts of solid compound were streaked through the drops containing preformed crystals. These were soaked for 48hours., VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.60 Å R-free 0.227
3GSS HUMAN GLUTATHIONE S-TRANSFERASE P1-1 IN COMPLEX WITH ETHACRYNIC ACID-GLUTATHIONE CONJUGATE Deposited 1996-10-29 Different construct Different ligand/ion Different experimental conditions Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Not recorded SO4 SULFATE ION × 1 GSH Glutathione × 2 EAA ETHACRYNIC ACID × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.2；pH 5.2
Resolution 1.90 Å R-free 0.233
3GUS Crystal strcture of human Pi class glutathione S-transferase GSTP1-1 in complex with 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) Deposited 2009-03-30 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–210（209 aa）
Chain B 2–210（209 aa）
Not recorded GSH Glutathione × 2 N11 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；1.8M Ammonium sulfate, 100mM MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.53 Å R-free 0.195
3HJM Crystal structure of human Glutathione Transferase Pi Y108V mutant Deposited 2009-05-22 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–210（209 aa）
Chain B 2–210（209 aa）
Mutation：Y108V Mutation：Y108V MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 CA CALCIUM ION × 2 CO3 CARBONATE ION × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；270mM Calcium Acetate, 20% PEG8000, 100mM MES, pH5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.10 Å R-free 0.230
3HJM Crystal structure of human Glutathione Transferase Pi Y108V mutant Deposited 2009-05-22 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 2–210（209 aa）
Chain D 2–210（209 aa）
Mutation：Y108V Mutation：Y108V MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 CA CALCIUM ION × 3 CO3 CARBONATE ION × 2 CL CHLORIDE ION × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；270mM Calcium Acetate, 20% PEG8000, 100mM MES, pH5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.10 Å R-free 0.230
3HJO Crystal Structure of Glutathione Transferase Pi Y108V Mutant in Complex with the Glutathione Conjugate of Ethacrynic Acid Deposited 2009-05-22 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–210（209 aa）
Chain B 2–210（209 aa）
Mutation：Y108V Mutation：Y108V GSH Glutathione × 2 EAA ETHACRYNIC ACID × 2 CA CALCIUM ION × 6 CO3 CARBONATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；133mM Calcium Acetate, 18% PEG8000, 100mM MES, pH5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.95 Å R-free 0.210
3HKR Crystal Structure of Glutathione Transferase Pi Y108V Mutant Deposited 2009-05-25 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–210（209 aa）
Chain B 2–210（209 aa）
Mutation：Y108V Mutation：Y108V CA CALCIUM ION × 5 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 CO3 CARBONATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；267mM Calcium Acetate, 20% PEG8000, 100mM MES, pH6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 1.80 Å R-free 0.210
3IE3 Structural basis for the binding of the anti-cancer compound 6-(7-Nitro-2,1,3-benzoxadiazol-4-ylthio)hexanol (NBDHEX) to human glutathione S-transferases Deposited 2009-07-22 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–210（209 aa）
Chain B 2–210（209 aa）
Mutation：I104A Mutation：I104A GSH Glutathione × 2 N11 6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]hexan-1-ol × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；1.8M AMMONIUM SULFATE, 100MM MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.80 Å R-free 0.209
3KM6 Crystal Structure of the Human GST Pi C47S/Y108V Double Mutant in Complex with the Ethacrynic Acid-Glutathione Conjugate Deposited 2009-11-10 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–210（209 aa）
Chain B 2–210（209 aa）
Mutation：C47S, Y108V Mutation：C47S, Y108V EAA ETHACRYNIC ACID × 2 GSH Glutathione × 2 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；4mg/ml, 267mM calcium acetate, 100mM MES pH 6.0, 20% (w/v) PEG 8000 , VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.10 Å R-free 0.206
3KMN Crystal Structure of the Human Apo GST Pi C47S/Y108V Double Mutant Deposited 2009-11-11 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–210（209 aa）
Chain B 2–210（209 aa）
Mutation：C47S, Y108V Mutation：C47S, Y108V CA CALCIUM ION × 6 CO3 CARBONATE ION × 2 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；7.5mg/ml C47S/Y108V GST, 22% (w/v) PEG 8000, 100mM MES pH 6.0, 350mM Ca acetate, 10mM DTT, vapor diffusion, hanging drop, temperature 298K
Resolution 1.80 Å R-free 0.210
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) Deposited 2009-11-11 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–210（209 aa）
Chain B 2–210（209 aa）
Mutation：C47S, Y108V Mutation：C47S, Y108V GSH Glutathione × 2 CA CALCIUM ION × 6 EAA ETHACRYNIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；4mg/ml, 267mM calcium acetate, 100mM MES pH 6.0, 20% (w/v) PEG 8000 , VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.60 Å R-free 0.254
3N9J Structure of human Glutathione Transferase Pi class in complex with Ethacraplatin Deposited 2010-05-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Not recorded PT PLATINUM (II) ION × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 EAA ETHACRYNIC ACID × 2 CA CALCIUM ION × 3 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；100mM MES, pH 5.5, pH 6.0, 28% (w/v) PEG 8000, 20mM CaCl2 10mM DTT, 3mM EACPT, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.85 Å R-free 0.218
3PGT CRYSTAL STRUCTURE OF HGSTP1-1[I104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE Deposited 1999-03-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Not recorded SO4 SULFATE ION × 7 GBX 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；pH 6.5
Resolution 2.14 Å R-free 0.159
4GSS HUMAN GLUTATHIONE S-TRANSFERASE P1-1 Y108F MUTANT Deposited 1997-01-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa）
Chain B 1–209（209 aa）
Mutation：Y108F Mutation：Y108F GTX S-HEXYLGLUTATHIONE × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 2.50 Å R-free 0.262
4PGT CRYSTAL STRUCTURE OF HGSTP1-1[V104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE Deposited 1999-03-22 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Mutation：VAL 104 VARIANT Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：VAL 104 VARIANT Non-standard monomer：Yes (specific site not provided by mmCIF) SO4 SULFATE ION × 2 GBX 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；CRYSTALS WERE GROWN IN HANGING DROPS WHICH INITIALLY CONSISTED OF 4.3 MG/ML PROTEIN, 0.55 MM GSH CONJUGATE OF (+)-ANTI-BPDE, 0.8 M AMMONIUM SULFATE IN 50 MM MES BUFFER (PH 6.0). THE DROPS WERE EQUILIBRATED AT 293 K AGAINST WELL SOLUTION CONTAINING 1.6 M AMMONIUM SULFATE IN 0.1 M MES BUFFER (PH 6.0).
Resolution 2.10 Å R-free 0.179
5DAK Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the absence of Glutathione Deposited 2015-08-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 ARS ARSENIC × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100MM MES, PH 6.0, 28% (W/V) PEG 8000, 20MM CACL2 10MM DTT. Soaked in 2mM PAO dissolved in DMSO
Resolution 2.11 Å R-free 0.204
5DAL Crystal Structure of human Glutathione Transferase Pi complexed with a metalloid in the presence of Glutathione Deposited 2015-08-20 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 5AU Di-glutathione-PhenylArsine × 2 GSH Glutathione × 2 PA0 Phenylarsine oxide × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；100MM MES, PH 6.0, 28% (W/V) PEG 8000, 20MM CACL2, 10MM DTT, 10MM GSH. Soaked in 2MM PAO dissolved in DMSO
Resolution 1.50 Å R-free 0.212
5DCG Crystal Structure of WT Apo Human Glutathione Transferase Pi Deposited 2015-08-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 PO4 PHOSPHATE ION × 2 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；100MM MES, PH 6.0, 28% (W/V) PEG 8000, 20MM CACL2, 10MM DTT
Resolution 2.01 Å R-free 0.190
5DDL Crystal Structure of WT Human Glutathione Transferase Pi soaked with a metalloid then back-soaked with glutathione Deposited 2015-08-25 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 5AU Di-glutathione-PhenylArsine × 2 GSH Glutathione × 2 SO4 SULFATE ION × 1 CA CALCIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；100MM MES, PH 6.0, 28% (W/V) PEG 8000, 20MM CACL2, 10MM DTT. Soaked in 2mM PAO dissolved in DMSO, Then back soaked in 10mM GSH after 2 days
Resolution 1.98 Å R-free 0.178
5DJL Structure of WT Human Glutathione Transferase in complex with cisplatin in the presence of glutathione. Deposited 2015-09-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 PT PLATINUM (II) ION × 3 GSH Glutathione × 2 CA CALCIUM ION × 2 CO3 CARBONATE ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100MM MES, PH 5.5, PH 6.0, 28% (W/V) PEG 8000, 20MM CACL2 10MM DTT, 10MM GSH. Soaked in 0.1MM Cisplatin for 24hrs.
Resolution 1.80 Å R-free 0.177
5DJM Structure of WT Human Glutathione Transferase in complex with cisplatin in the absence of glutathione. Deposited 2015-09-02 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 PT PLATINUM (II) ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；100MM MES, PH 5.5, PH 6.0, 28% (W/V) PEG 8000, 20MM CACL2 10MM DTT. Soaked in 0.1MM Cisplatin for 24hrs
Resolution 1.90 Å R-free 0.240
5GSS HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE Deposited 1997-08-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa） Fragment：TWO INTACT MONOMERS
Chain B 1–209（209 aa） Fragment：TWO INTACT MONOMERS
Not recorded GSH Glutathione × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.8；pH 5.8
Resolution 1.95 Å R-free 0.255
5J41 Glutathione S-transferase bound with hydrolyzed Piperlongumine Deposited 2016-03-31 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–210（209 aa）
Chain B 2–210（209 aa）
Not recorded 3LF 3-(3,4,5-trimethoxyphenyl)propanoic acid × 2 GSH Glutathione × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.6M ammonium sulfate, 100mM MES pH 6.5
Resolution 1.19 Å R-free 0.186
5JCW Crystal Structure of hGSTP1-1 with Glutathione Adduct of Phenethyl Isothiocyanate Deposited 2016-04-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Not recorded GVX L-gamma-glutamyl-S-[(2-phenylethyl)carbamothioyl]-L-cysteinylglycine × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 ACT ACETATE ION × 2 CA CALCIUM ION × 8 GSH Glutathione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；PEG 8000, MES, Ca(OAC)2
Resolution 1.95 Å R-free 0.193
5L6X CRYSTAL STRUCTURE OF HGSTP1-1 COMPLEXED WITH FERROCENE-GLUTATHIONE CONJUGATE Deposited 2016-06-01 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Mutation：P2A Mutation：P2A AZI AZIDE ION × 11 6SG S-[N-(ferrocenylmethyl)carbamoylmethyl]-glutathione × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；100 mM HEPES pH 6, 10 mM DTT, 100 mM CaCl2, 30% PEG 6000, Ligand was soaked o/n prior diffraction
Resolution 2.00 Å R-free 0.213
5X79 Human GST Pi conjugated with novel inhibitor, GS-ESF Deposited 2017-02-24 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Not recorded GF5 (2S)-2-azanyl-5-[[(2R)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；100 mM MES, pH 6.0, 22% PEG8000, 20 mM calcium chloride, 10 mM DTT
Resolution 1.90 Å R-free 0.242
6AP9 Crystal Structure of hGSTP1-1 with S-nitrosation of Cys101 Deposited 2017-08-17 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) GSH Glutathione × 2 GDS OXIDIZED GLUTATHIONE DISULFIDE × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 ACT ACETATE ION × 2 CA CALCIUM ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；PEG 8000, MES, Ca(OAc)2
Resolution 1.55 Å R-free 0.181
6GSS HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH GLUTATHIONE Deposited 1997-08-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa） Fragment：TWO INTACT MONOMERS
Chain B 1–209（209 aa） Fragment：TWO INTACT MONOMERS
Not recorded GSH Glutathione × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.4；pH 5.4
Resolution 1.90 Å R-free 0.218
6LLX Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma Deposited 2019-12-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–210（210 aa）
Not recorded GSH Glutathione × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M MES PH5.8 ,30% PEG6000 ,10mM DTT
Resolution 1.58 Å R-free 0.223
6LLX Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma Deposited 2019-12-24 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–210（210 aa）
Not recorded GSH Glutathione × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1M MES PH5.8 ,30% PEG6000 ,10mM DTT
Resolution 1.58 Å R-free 0.223
6Y1E Crystal structure of human glutathione transferase P1-1 (hGSTP1-1) that was co-crystallised in the presence of indanyloxyacetic acid-94 (IAA-94) Deposited 2020-02-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Not recorded GSH Glutathione × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 3 O7Z 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10 mg/ml hGSTP1-1 (50 mM dipotassium phosphate, 1.5 mM EDTA, 10 mM DTT, 10 mM GSH and 0.02 % (w/v) sodium azide, pH 7.0) with 3.5 mM IAA-94 (5% DMSO (v/v)) was crystallized in 100 mM MES and 16 % (w/v) PEG-6000, pH 6.5. The crystals were harvested and then immersed two to three times in 100% (v/v) Parabar 10312 (Paratone)
Resolution 1.40 Å R-free 0.251
6Y1E Crystal structure of human glutathione transferase P1-1 (hGSTP1-1) that was co-crystallised in the presence of indanyloxyacetic acid-94 (IAA-94) Deposited 2020-02-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 1–210（210 aa）
Chain D 1–210（210 aa）
Not recorded GSH Glutathione × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 3 O7Z 2-[[6,7-bis(chloranyl)-2-cyclopentyl-2-methyl-1-oxidanylidene-3~{H}-inden-5-yl]oxy]ethanoic acid × 1 PGE TRIETHYLENE GLYCOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；10 mg/ml hGSTP1-1 (50 mM dipotassium phosphate, 1.5 mM EDTA, 10 mM DTT, 10 mM GSH and 0.02 % (w/v) sodium azide, pH 7.0) with 3.5 mM IAA-94 (5% DMSO (v/v)) was crystallized in 100 mM MES and 16 % (w/v) PEG-6000, pH 6.5. The crystals were harvested and then immersed two to three times in 100% (v/v) Parabar 10312 (Paratone)
Resolution 1.40 Å R-free 0.251
7BIA Crystal structure of human GSTP1 bound to iberin Deposited 2021-01-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–210（210 aa）
Chain B 1–210（210 aa）
Not recorded MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 GSH Glutathione × 2 TVQ 1-isothiocyanato-3-methylsulfinyl-propane × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M MES pH 6.0, 25% PEG8000, 0.02M CaCl2, 5mM DTT
Resolution 1.73 Å R-free 0.214
7GSS Human glutathione S-transferase P1-1, complex with glutathione Deposited 1997-08-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa） Fragment：TWO INTACT MONOMERS
Chain B 1–209（209 aa） Fragment：TWO INTACT MONOMERS
Not recorded GSH Glutathione × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.2；pH 6.2
Resolution 2.20 Å R-free 0.259
7XBA Glutathione S-transferase bound with a covalent inhibitor Deposited 2022-03-21 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–210（209 aa）
Chain B 2–210（209 aa）
Not recorded GSH Glutathione × 1 HJ6 3-[3-[[2-[5-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]furan-2-yl]-5-(methylcarbamoyl)benzimidazol-1-yl]methyl]azetidin-1-yl]sulfonylbenzenesulfonic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；Magnesium acetate tetrahydrate, Sodium cacodylate trihydrate pH 6.5, Polyethylene glycol 8000
Resolution 2.83 Å R-free 0.248
8GSS Human glutathione S-transferase P1-1, complex with glutathione Deposited 1997-08-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa） Fragment：THREE INTACT MONOMERS
Chain B 1–209（209 aa） Fragment：THREE INTACT MONOMERS
Not recorded SO4 SULFATE ION × 1 GSH Glutathione × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.4；pH 5.4
Resolution 1.90 Å R-free 0.229
8GSS Human glutathione S-transferase P1-1, complex with glutathione Deposited 1997-08-14 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 1–209（209 aa） Fragment：THREE INTACT MONOMERS
Not recorded SO4 SULFATE ION × 2 GSH Glutathione × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.4；pH 5.4
Resolution 1.90 Å R-free 0.229
9GSS HUMAN GLUTATHIONE S-TRANSFERASE P1-1, COMPLEX WITH S-HEXYL GLUTATHIONE Deposited 1997-08-14 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–209（209 aa） Fragment：TWO INTACT MONOMERS
Chain B 1–209（209 aa） Fragment：TWO INTACT MONOMERS
Not recorded SO4 SULFATE ION × 1 GTX S-HEXYLGLUTATHIONE × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6；pH 6.0
Resolution 1.97 Å R-free 0.232

67 other PDB entries and 77 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name GSTP1_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–209； UniProt 2–210 Author chain B； PDBConstruct 1–209； UniProt 2–210

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 3csj

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 3csj
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2. Structure Basics 2. Structure Basics

Entry ID entry_id3csj
Deposition date deposition_date2008-04-09
Structure title titleHuman glutathione s-transferase p1-1 in complex with chlorambucil
Keywords keywordsTRANSFERASE, GLUTATHIONE, DETOXIFICATION, CHLORAMBUCIL, Polymorphism; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier22.15 Å
Radius of gyration Rg (electron density) rg_electron21.06 Å
Forward intensity I(0) i035168600.00
Molecular weight molecular_weight47173.0 kDa
Excluded volume excluded_volume59638 ų
Envelope volume envelope_volume68798 ų
Hydration-shell volume shell_volume26294 ų
Envelope diameter envelope_diameter67.7 Å
Shell Rg shell_rg28.44 Å
Envelope Rg envelope_rg21.11 Å
Shape Rg shape_rg21.05 Å
Total Rg total_rg22.00 Å
Total atoms total_atoms3320
Residues n_residues418
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax65.3 Å
Rg (real space) rg_real21.96 Å
Rg uncertainty (real space) rg_real_error0.22 Å
I(0) (real space) i0_real3.5170e+07
I(0) uncertainty (real space) i0_real_error4.2060e+05
Rg (reciprocal space) rg_reciprocal22.00 Å
I(0) (reciprocal space) i0_reciprocal35170000.0000
Solution quality estimate total_estimate0.9098
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary28.2 Å
Skewness Skewness skewness0.088
Kurtosis Kurtosis kurtosis-0.528
Angular range angular_range— – 0.3600 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha8783000.0000
Real-space data points n_real_points68
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.950; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.978; Smooth: 0.995
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

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7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd3csja1
Class classa — All alpha proteins
Fold Fold folda.45 — GST C-terminal domain-like
Superfamily Superfamily superfamilya.45.1 — GST C-terminal domain-like
Family Family familya.45.1.1 — Glutathione S-transferase (GST), C-terminal domain
Domain ID domain_idd3csja2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.47 — Thioredoxin fold
Superfamily Superfamily superfamilyc.47.1 — Thioredoxin-like
Family Family familyc.47.1.5 — Glutathione S-transferase (GST), N-terminal domain
Domain ID domain_idd3csjb1
Class classa — All alpha proteins
Fold Fold folda.45 — GST C-terminal domain-like
Superfamily Superfamily superfamilya.45.1 — GST C-terminal domain-like
Family Family familya.45.1.1 — Glutathione S-transferase (GST), C-terminal domain
Domain ID domain_idd3csjb2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.47 — Thioredoxin fold
Superfamily Superfamily superfamilyc.47.1 — Thioredoxin-like
Family Family familyc.47.1.5 — Glutathione S-transferase (GST), N-terminal domain

CATH v4.4 (4 domains)

Domain ID domain_id3csjA01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology30 — Glutaredoxin
Homologous superfamily homologous superfamily10 — Glutaredoxin
Domain ID domain_id3csjA02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1050 — Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2
Homologous superfamily homologous superfamily10 —
Domain ID domain_id3csjB01
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology30 — Glutaredoxin
Homologous superfamily homologous superfamily10 — Glutaredoxin
Domain ID domain_id3csjB02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1050 — Glutathione S-transferase Yfyf (Class Pi); Chain A, domain 2
Homologous superfamily homologous superfamily10 —
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8. Citations (1)

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9. Files and Curves (10)