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2tir

CRYSTAL STRUCTURE ANALYSIS OF A MUTANT ESCHERICHIA COLI THIOREDOXIN IN WHICH LYSINE 36 IS REPLACED BY GLUTAMIC ACID

Method: X-RAY DIFFRACTION Dmax: 50.8 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

THIOREDOXIN

Escherichia coli

UniProt P0AA25

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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 1–108 Not recorded CU COPPER (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions Resolution 2.00 Å

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 2TIR Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1F6M CRYSTAL STRUCTURE OF A COMPLEX BETWEEN THIOREDOXIN REDUCTASE, THIOREDOXIN, AND THE NADP+ ANALOG, AADP+ Deposited 2000-06-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1–108（108 aa）
Chain D 1–108（108 aa）
Mutation：C35S Mutation：C35S FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 3AA 3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；cacodylate, ammonium sulfate, PEG 3350, 3-aminopyridine adenine dinucleotide phosphate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.95 Å R-free 0.247
1F6M CRYSTAL STRUCTURE OF A COMPLEX BETWEEN THIOREDOXIN REDUCTASE, THIOREDOXIN, AND THE NADP+ ANALOG, AADP+ Deposited 2000-06-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 1–108（108 aa）
Chain H 1–108（108 aa）
Mutation：C35S Mutation：C35S FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 3AA 3-AMINOPYRIDINE-ADENINE DINUCLEOTIDE PHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；cacodylate, ammonium sulfate, PEG 3350, 3-aminopyridine adenine dinucleotide phosphate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.95 Å R-free 0.247
1KEB Crystal Structure of Double Mutant M37L,P40S E.coli Thioredoxin Deposited 2001-11-15 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Mutation：M37L,P40S CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 3.8；300 K；100mM sodium acetate buffer, 10mM cupric acetate, 25% ethanol as precipitant, pH 3.8, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 1.80 Å R-free 0.222
1KEB Crystal Structure of Double Mutant M37L,P40S E.coli Thioredoxin Deposited 2001-11-15 Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Mutation：M37L,P40S CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 3.8；300 K；100mM sodium acetate buffer, 10mM cupric acetate, 25% ethanol as precipitant, pH 3.8, VAPOR DIFFUSION, HANGING DROP, temperature 300K
Resolution 1.80 Å R-free 0.222
1SKR T7 DNA Polymerase Complexed To DNA Primer/Template and ddATP Deposited 2004-03-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 1–108（108 aa）
Not recorded MG MAGNESIUM ION × 3 DAD 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；294 K；PEG 8000, ammonium sulfate, aces, ethylene glycol, DTT , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.40 Å R-free 0.270
1SKS Binary 3' complex of T7 DNA polymerase with a DNA primer/template containing a cis-syn thymine dimer on the template Deposited 2004-03-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 1–108（108 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；VAPOR DIFFUSION, HANGING DROP, pH 7.5
Resolution 2.30 Å R-free 0.266
1SKW Binary 3' complex of T7 DNA polymerase with a DNA primer/template containing a disordered cis-syn thymine dimer on the template Deposited 2004-03-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 1–108（108 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；VAPOR DIFFUSION, HANGING DROP, pH 7.5
Resolution 2.30 Å R-free 0.278
1SL0 Ternary 3' complex of T7 DNA polymerase with a DNA primer/template containing a disordered cis-syn thymine dimer on the template and an incoming nucleotide Deposited 2004-03-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 1–108（108 aa）
Not recorded MG MAGNESIUM ION × 1 DAD 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；pH 7.5, VAPOR DIFFUSION, HANGING DROP
Resolution 3.20 Å R-free 0.351
1SL0 Ternary 3' complex of T7 DNA polymerase with a DNA primer/template containing a disordered cis-syn thymine dimer on the template and an incoming nucleotide Deposited 2004-03-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain D 1–108（108 aa）
Not recorded MG MAGNESIUM ION × 1 DAD 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；pH 7.5, VAPOR DIFFUSION, HANGING DROP
Resolution 3.20 Å R-free 0.351
1SL1 Binary 5' complex of T7 DNA polymerase with a DNA primer/template containing a cis-syn thymine dimer on the template Deposited 2004-03-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 1–108（108 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；VAPOR DIFFUSION, HANGING DROP, pH 7.5
Resolution 2.20 Å R-free 0.262
1SL2 Ternary 5' complex of T7 DNA polymerase with a DNA primer/template containing a cis-syn thymine dimer on the template and an incoming nucleotide Deposited 2004-03-05 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 1–108（108 aa）
Not recorded MG MAGNESIUM ION × 3 DAD 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；VAPOR DIFFUSION, HANGING DROP, pH 7.5
Resolution 2.30 Å R-free 0.279
1SRX THREE-DIMENSIONAL STRUCTURE OF ESCHERICHIA COLI THIOREDOXIN-S2 TO 2.8 ANGSTROMS RESOLUTION Deposited 1976-05-06 Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å
1T8E T7 DNA Polymerase Ternary Complex with dCTP at the Insertion Site. Deposited 2004-05-12 Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 1–108（108 aa）
Not recorded MG MAGNESIUM ION × 3 SO4 SULFATE ION × 1 DCT 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 PG4 TETRAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.54 Å R-free 0.255
1THO CRYSTAL STRUCTURE OF A MUTANT ESCHERICHIA COLI THIOREDOXIN WITH AN ARGININE INSERTION IN THE ACTIVE SITE Deposited 1993-01-28 Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded CU COPPER (II) ION × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.30 Å
1TK0 T7 DNA polymerase ternary complex with 8 oxo guanosine and ddCTP at the insertion site Deposited 2004-06-07 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 1–108（108 aa）
Not recorded MG MAGNESIUM ION × 3 SO4 SULFATE ION × 2 DCT 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE × 1 1PE PENTAETHYLENE GLYCOL × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；294 K；PEG8000, Amonium Sulfate, PEG400, Ethylene Glycol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 21K
Resolution 2.30 Å R-free 0.263
1TK5 T7 DNA polymerase binary complex with 8 oxo guanosine in the templating strand Deposited 2004-06-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 1–108（108 aa）
Not recorded MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；PEG 8000, Ammonium Sulfate. PEG400, Etylen Glyco, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 100K
Resolution 2.20 Å R-free 0.246
1TK8 T7 DNA polymerase ternary complex with 8 oxo guanosine and dAMP at the elongation site Deposited 2004-06-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 1–108（108 aa）
Not recorded MG MAGNESIUM ION × 4 SO4 SULFATE ION × 2 D3T 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；294 K；PEG 8000, Ammonium Sulfate, PEG400, Ethylene Glycol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.50 Å R-free 0.261
1TKD T7 DNA polymerase ternary complex with 8 oxo guanosine and dCMP at the elongation site Deposited 2004-06-08 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 1–108（108 aa）
Not recorded MG MAGNESIUM ION × 3 SO4 SULFATE ION × 3 D3T 2',3'-DIDEOXY-THYMIDINE-5'-TRIPHOSPHATE × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 1PE PENTAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；294 K；PEG8000, Ammonium Sulfate, PEG400, Ethylene Glycol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.49 Å R-free 0.265
1TXX ACTIVE-SITE VARIANT OF E.COLI THIOREDOXIN Deposited 1999-04-07 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–109（108 aa）
Mutation：P33V, G34W CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.2；DROPS (6 ML) OF 0.050 M SODIUM SUCCINATE BUFFER, PH 4.2, CONTAINING CVWC THIOREDOXIN (10 MG/ML), METHYL-ETHER PEG2000 (10% W/V) AND CUPRIC ACETATE (1 MM) WERE SUSPENDED OVER 1.0 ML WELLS OF 0.10 M SODIUM SUCCINATE BUFFER, PH 4.2, CONTAINING METHYL-ETHER PEG 2000 (20% W/V) AND CUPRIC ACETATE (2 MM)., VAPOR DIFFUSION, HANGING DROP
Resolution 2.20 Å
1X9M T7 DNA polymerase in complex with an N-2-acetylaminofluorene-adducted DNA Deposited 2004-08-23 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 1–108（108 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；295 K；PEG 8000, ammonium sulfate, magnesium chloride, pH 7.5, VAPOR DIFFUSION, temperature 295K
Resolution 2.10 Å R-free 0.236
1X9S T7 DNA polymerase in complex with a primer/template DNA containing a disordered N-2 aminofluorene on the template, crystallized with dideoxy-CTP as the incoming nucleotide. Deposited 2004-08-24 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 1–108（108 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；PEG 8000, ammonium sulfate, magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.70 Å R-free 0.279
1X9W T7 DNA polymerase in complex with a primer/template DNA containing a disordered N-2 aminofluorene on the template, crystallized with dideoxy-ATP as the incoming nucleotide. Deposited 2004-08-24 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 1–108（108 aa）
Not recorded MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；PEG 8000, ammonium sulfate, magnesium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.30 Å R-free 0.258
1XOA THIOREDOXIN (OXIDIZED DISULFIDE FORM), NMR, 20 STRUCTURES Deposited 1995-11-28 Different ligand/ion Different experimental method Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
1XOB THIOREDOXIN (REDUCED DITHIO FORM), NMR, 20 STRUCTURES Deposited 1995-11-28 Different ligand/ion Different experimental method Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
1ZCP Crystal Structure of a catalytic site mutant E. coli TrxA (CACA) Deposited 2005-04-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–108（108 aa）
Chain B 1–108（108 aa）
Mutation：G33A, P34C, C35A Mutation：G33A, P34C, C35A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；30% PEG4000, 0.1 M Tris, 0.2 M Magnesium chloride, 4% acetonitrile, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.30 Å R-free 0.281
1ZCP Crystal Structure of a catalytic site mutant E. coli TrxA (CACA) Deposited 2005-04-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain C 1–108（108 aa）
Chain D 1–108（108 aa）
Mutation：G33A, P34C, C35A Mutation：G33A, P34C, C35A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；30% PEG4000, 0.1 M Tris, 0.2 M Magnesium chloride, 4% acetonitrile, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.30 Å R-free 0.281
1ZYQ T7 DNA polymerase in complex with 8oG and incoming ddATP Deposited 2005-06-10 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 1–108（108 aa）
Not recorded MG MAGNESIUM ION × 3 DAD 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；PEG, amonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.70 Å R-free 0.272
2AJQ Structure of replicative DNA polymerase provides insigts into the mechanisms for processivity, frameshifting and editing Deposited 2005-08-02 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain B 1–108（108 aa）
Mutation：Residues 5 and 7 mutated to Ala No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；273 K；A complex of 1x10^-4 M T7 DNA polymerase 5A7A:thioredoxin was assembled with an equimolar amount of double stranded DNA substrate. Crystallization was achieved using a buffer containing 50mM HEPES pH 7.5, 10mM MgCl_2, 2mM DTT, and 0.5 mM terminal ddTTP Seed crystals were grown by hanging drop vapor diffusion by mixing 1ul each of protein-DNA solution and a reservoir solutions containing between 16 to 20% PEG 8000, 100mM ACES pH 7.5, 120 ammonium sulfate, 30mM MgCl2, and 5mM DTT. These crystals were used to streak-seed a grid of protein/reservoir solutions with concentrations of PEG 8000 between 13 to 15%. Pyramidal crystals appeared overnight and reached a maximum size of ~150 X 150 X 100 um3 after 3 to 4 days. Crystals were harvested overnight in mother-liquor containing 10 % PEG 400, temperature 273K, VAPOR DIFFUSION, HANGING DROP
Resolution 2.60 Å R-free 0.284
2AJQ Structure of replicative DNA polymerase provides insigts into the mechanisms for processivity, frameshifting and editing Deposited 2005-08-02 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein–DNA Heteromer；Protein × 2 PDB declaration: tetrameric
Chain I 1–108（108 aa）
Mutation：Residues 5 and 7 mutated to Ala No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；273 K；A complex of 1x10^-4 M T7 DNA polymerase 5A7A:thioredoxin was assembled with an equimolar amount of double stranded DNA substrate. Crystallization was achieved using a buffer containing 50mM HEPES pH 7.5, 10mM MgCl_2, 2mM DTT, and 0.5 mM terminal ddTTP Seed crystals were grown by hanging drop vapor diffusion by mixing 1ul each of protein-DNA solution and a reservoir solutions containing between 16 to 20% PEG 8000, 100mM ACES pH 7.5, 120 ammonium sulfate, 30mM MgCl2, and 5mM DTT. These crystals were used to streak-seed a grid of protein/reservoir solutions with concentrations of PEG 8000 between 13 to 15%. Pyramidal crystals appeared overnight and reached a maximum size of ~150 X 150 X 100 um3 after 3 to 4 days. Crystals were harvested overnight in mother-liquor containing 10 % PEG 400, temperature 273K, VAPOR DIFFUSION, HANGING DROP
Resolution 2.60 Å R-free 0.284
2EIO Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts Deposited 2007-03-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–109（108 aa）
Mutation：E101C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；20% PEG 3350, 0.1M TRIS, 0.2M MAGNESIUM CHLORIDE, pH 8.50, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.60 Å R-free 0.292
2EIO Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts Deposited 2007-03-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–109（108 aa）
Mutation：E101C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；20% PEG 3350, 0.1M TRIS, 0.2M MAGNESIUM CHLORIDE, pH 8.50, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.60 Å R-free 0.292
2EIO Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts Deposited 2007-03-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 2–109（108 aa）
Mutation：E101C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；20% PEG 3350, 0.1M TRIS, 0.2M MAGNESIUM CHLORIDE, pH 8.50, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.60 Å R-free 0.292
2EIO Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts Deposited 2007-03-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 2–109（108 aa）
Mutation：E101C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；289 K；20% PEG 3350, 0.1M TRIS, 0.2M MAGNESIUM CHLORIDE, pH 8.50, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.60 Å R-free 0.292
2EIQ Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts Deposited 2007-03-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–109（108 aa）
Mutation：T89C CU COPPER (II) ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；277 K；40% MPD, 1MM CUPRIC ACETATE, 10MM SODIUM ACETATE, pH 4.50, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.218
2EIQ Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts Deposited 2007-03-13 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–109（108 aa）
Mutation：T89C CU COPPER (II) ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；277 K；40% MPD, 1MM CUPRIC ACETATE, 10MM SODIUM ACETATE, pH 4.50, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.218
2EIQ Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts Deposited 2007-03-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–109（108 aa）
Mutation：T89C CU COPPER (II) ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；277 K；40% MPD, 1MM CUPRIC ACETATE, 10MM SODIUM ACETATE, pH 4.50, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.90 Å R-free 0.218
2EIR Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts Deposited 2007-03-13 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–109（108 aa）
Mutation：E101C/A105C CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；277 K；45% MPD, 5MM CUPRIC ACETATE, 0.1M SODIUM ACETATE, pH 4.50, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.50 Å R-free 0.311
2EIR Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts Deposited 2007-03-13 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–109（108 aa）
Mutation：E101C/A105C CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；277 K；45% MPD, 5MM CUPRIC ACETATE, 0.1M SODIUM ACETATE, pH 4.50, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.50 Å R-free 0.311
2EIR Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts Deposited 2007-03-13 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 2–109（108 aa）
Mutation：E101C/A105C CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；277 K；45% MPD, 5MM CUPRIC ACETATE, 0.1M SODIUM ACETATE, pH 4.50, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.50 Å R-free 0.311
2EIR Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts Deposited 2007-03-13 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 2–109（108 aa）
Mutation：E101C/A105C CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；277 K；45% MPD, 5MM CUPRIC ACETATE, 0.1M SODIUM ACETATE, pH 4.50, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.50 Å R-free 0.311
2FCH Crystal Structure of Thioredoxin Mutant G74S Deposited 2005-12-12 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Mutation：G74S MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 5.4；277 K；60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 5.4, Counter-diffusion, temperature 277K
Resolution 2.60 Å R-free 0.276
2FCH Crystal Structure of Thioredoxin Mutant G74S Deposited 2005-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 10 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain B 1–108（108 aa）
Chain C 1–108（108 aa）
Chain D 1–108（108 aa）
Mutation：G74S Mutation：G74S Mutation：G74S MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 5.4；277 K；60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 5.4, Counter-diffusion, temperature 277K
Resolution 2.60 Å R-free 0.276
2FCH Crystal Structure of Thioredoxin Mutant G74S Deposited 2005-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 11 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain F 1–108（108 aa）
Chain G 1–108（108 aa）
Mutation：G74S Mutation：G74S MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 5.4；277 K；60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 5.4, Counter-diffusion, temperature 277K
Resolution 2.60 Å R-free 0.276
2FCH Crystal Structure of Thioredoxin Mutant G74S Deposited 2005-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 12 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–108（108 aa）
Chain D 1–108（108 aa）
Mutation：G74S Mutation：G74S MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 5.4；277 K；60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 5.4, Counter-diffusion, temperature 277K
Resolution 2.60 Å R-free 0.276
2FCH Crystal Structure of Thioredoxin Mutant G74S Deposited 2005-12-12 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Mutation：G74S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 5.4；277 K；60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 5.4, Counter-diffusion, temperature 277K
Resolution 2.60 Å R-free 0.276
2FCH Crystal Structure of Thioredoxin Mutant G74S Deposited 2005-12-12 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–108（108 aa）
Mutation：G74S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 5.4；277 K；60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 5.4, Counter-diffusion, temperature 277K
Resolution 2.60 Å R-free 0.276
2FCH Crystal Structure of Thioredoxin Mutant G74S Deposited 2005-12-12 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–108（108 aa）
Mutation：G74S MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 5.4；277 K；60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 5.4, Counter-diffusion, temperature 277K
Resolution 2.60 Å R-free 0.276
2FCH Crystal Structure of Thioredoxin Mutant G74S Deposited 2005-12-12 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 1–108（108 aa）
Mutation：G74S MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 5.4；277 K；60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 5.4, Counter-diffusion, temperature 277K
Resolution 2.60 Å R-free 0.276
2FCH Crystal Structure of Thioredoxin Mutant G74S Deposited 2005-12-12 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 1–108（108 aa）
Mutation：G74S No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 5.4；277 K；60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 5.4, Counter-diffusion, temperature 277K
Resolution 2.60 Å R-free 0.276
2FCH Crystal Structure of Thioredoxin Mutant G74S Deposited 2005-12-12 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 1–108（108 aa）
Mutation：G74S MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 5.4；277 K；60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 5.4, Counter-diffusion, temperature 277K
Resolution 2.60 Å R-free 0.276
2FCH Crystal Structure of Thioredoxin Mutant G74S Deposited 2005-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein homooligomer Homooligomer；Protein × 5 PDB declaration: pentameric
Chain B 1–108（108 aa）
Chain C 1–108（108 aa）
Chain D 1–108（108 aa）
Chain F 1–108（108 aa）
Chain G 1–108（108 aa）
Mutation：G74S Mutation：G74S Mutation：G74S Mutation：G74S Mutation：G74S MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 5.4；277 K；60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 5.4, Counter-diffusion, temperature 277K
Resolution 2.60 Å R-free 0.276
2FCH Crystal Structure of Thioredoxin Mutant G74S Deposited 2005-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 9 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–108（108 aa）
Chain E 1–108（108 aa）
Mutation：G74S Mutation：G74S MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 5.4；277 K；60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 5.4, Counter-diffusion, temperature 277K
Resolution 2.60 Å R-free 0.276
2FD3 Crystal Structure of Thioredoxin Mutant P34H Deposited 2005-12-13 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Mutation：P34H No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 8；277 K；60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 8.0, Counter-diffusion, temperature 277K
Resolution 2.45 Å R-free 0.305
2FD3 Crystal Structure of Thioredoxin Mutant P34H Deposited 2005-12-13 Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Mutation：P34H No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions COUNTER-DIFFUSION；pH 8；277 K；60% (v/v) MPD, Hepes 15 mM, 1 mM Ac2Cu, pH 8.0, Counter-diffusion, temperature 277K
Resolution 2.45 Å R-free 0.305
2TRX CRYSTAL STRUCTURE OF THIOREDOXIN FROM ESCHERICHIA COLI AT 1.68 ANGSTROMS RESOLUTION Deposited 1990-03-19 Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Not recorded CU COPPER (II) ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 4 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.68 Å
2TRX CRYSTAL STRUCTURE OF THIOREDOXIN FROM ESCHERICHIA COLI AT 1.68 ANGSTROMS RESOLUTION Deposited 1990-03-19 Different ligand/ion Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–108（108 aa）
Not recorded CU COPPER (II) ION × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.68 Å
2TRX CRYSTAL STRUCTURE OF THIOREDOXIN FROM ESCHERICHIA COLI AT 1.68 ANGSTROMS RESOLUTION Deposited 1990-03-19 Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–108（108 aa）
Not recorded CU COPPER (II) ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 8 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.68 Å
2TRX CRYSTAL STRUCTURE OF THIOREDOXIN FROM ESCHERICHIA COLI AT 1.68 ANGSTROMS RESOLUTION Deposited 1990-03-19 Different oligomeric state Different ligand/ion Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 1–108（108 aa）
Not recorded CU COPPER (II) ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 6 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 1.68 Å
3DYR Crystal structure of E. coli thioredoxin mutant I76T in its oxidized form Deposited 2008-07-28 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–109（108 aa）
Mutation：I76T No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.290
3DYR Crystal structure of E. coli thioredoxin mutant I76T in its oxidized form Deposited 2008-07-28 Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–109（108 aa）
Mutation：I76T No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.290
4HU7 E. coli thioredoxin variant with Pro76 as single proline residue Deposited 2012-11-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–109（108 aa）
Mutation：P34A, P40A, P64A, P68A CU COPPER (II) ION × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；277.15 K；20 mM acetic acid-NaOH, 2 mM CuCl2, 35 % (v/v) MPD , pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 1.40 Å R-free 0.198
4HU7 E. coli thioredoxin variant with Pro76 as single proline residue Deposited 2012-11-02 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–109（108 aa）
Mutation：P34A, P40A, P64A, P68A CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；277.15 K；20 mM acetic acid-NaOH, 2 mM CuCl2, 35 % (v/v) MPD , pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 1.40 Å R-free 0.198
4HU7 E. coli thioredoxin variant with Pro76 as single proline residue Deposited 2012-11-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–109（108 aa）
Chain B 2–109（108 aa）
Mutation：P34A, P40A, P64A, P68A Mutation：P34A, P40A, P64A, P68A CU COPPER (II) ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；277.15 K；20 mM acetic acid-NaOH, 2 mM CuCl2, 35 % (v/v) MPD , pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 1.40 Å R-free 0.198
4HU9 E. coli thioredoxin variant with (4S)-FluoroPro76 as single proline residue Deposited 2012-11-02 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–109（108 aa）
Mutation：P34A, P40A, P64A, P68A Non-standard monomer：Yes (specific site not provided by mmCIF) CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；277.15 K；20 mM acetic acid-NaOH, 2 mM CuCl2, 30 % (v/v) MPD, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 1.55 Å R-free 0.210
4HUA E. coli thioredoxin variant with (4R)-FluoroPro76 as single proline residue Deposited 2012-11-02 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–109（108 aa）
Mutation：P34A, P40A, P64A, P68A Non-standard monomer：Yes (specific site not provided by mmCIF) CU COPPER (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；277.15 K；20 mM acetic acid-NaOH pH 4.5, 2 mM CuCl2, 35 % (v/v) MPD, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 1.10 Å R-free 0.172
4X43 Structure of proline-free E. coli Thioredoxin Deposited 2014-12-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: Monomeric
Chain A 2–109（108 aa）
Mutation：P34A, P40A, P64A, P68A, P76A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；10% (w/v) PEG 1000, 10% (w/v) PEG 8000
Resolution 1.65 Å R-free 0.218
4X43 Structure of proline-free E. coli Thioredoxin Deposited 2014-12-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: Monomeric
Chain B 2–109（108 aa）
Mutation：P34A, P40A, P64A, P68A, P76A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；10% (w/v) PEG 1000, 10% (w/v) PEG 8000
Resolution 1.65 Å R-free 0.218
4X43 Structure of proline-free E. coli Thioredoxin Deposited 2014-12-02 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: Monomeric
Chain C 2–109（108 aa）
Mutation：P34A, P40A, P64A, P68A, P76A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；10% (w/v) PEG 1000, 10% (w/v) PEG 8000
Resolution 1.65 Å R-free 0.218
5XOC Crystal structure of human Smad3-FoxH1 complex Deposited 2017-05-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 2–109（108 aa） Fragment：UNP residues 2-109,UNP residues 322-345
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.4；293 K；0.1 M citrate pH 5.4, 0.8% ethylene imine polymer and 0.5 M NaCl
Resolution 2.40 Å R-free 0.235
6GD1 Structure of HuR RRM3 Deposited 2018-04-21 Different construct Different mutation/modification 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 1–109（109 aa）
Chain B 1–109（109 aa）
Not recorded NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；23% (w/v) PEG 2000 MME, 0.1 M potassium thiocyanate
Resolution 2.01 Å R-free 0.244
6H1Y CRYSTAL STRUCTURE OF A CHIMERIC VARIANT OF THIOREDOXIN FROM ESCHERICHIA COLI Deposited 2018-07-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–14（13 aa）
Chain A 24–109（86 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；Crystals were obtained with a protein concentration of 20-25 mg/ml. The composition of the reservoir solution was 17% (w/v) PEG10000, 0.1 M ammonium acetate and 0.1 M BIS-TRIS buffer, pH 5.5.
Resolution 2.99 Å R-free 0.259
6H1Y CRYSTAL STRUCTURE OF A CHIMERIC VARIANT OF THIOREDOXIN FROM ESCHERICHIA COLI Deposited 2018-07-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–14（13 aa）
Chain B 24–109（86 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；Crystals were obtained with a protein concentration of 20-25 mg/ml. The composition of the reservoir solution was 17% (w/v) PEG10000, 0.1 M ammonium acetate and 0.1 M BIS-TRIS buffer, pH 5.5.
Resolution 2.99 Å R-free 0.259
6H7J ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND AGONIST ISOPRENALINE AND NANOBODY Nb80 Deposited 2018-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 2–109（108 aa）
Mutation：C32S,C35S 5FW ISOPRENALINE × 1 NA SODIUM ION × 1 2CV HEGA-10 × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1 M Hepes-NaOH pH7.5 and 21-24% PEG1500
Resolution 2.80 Å R-free 0.317
6H7J ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND AGONIST ISOPRENALINE AND NANOBODY Nb80 Deposited 2018-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 2–109（108 aa）
Mutation：C32S,C35S 5FW ISOPRENALINE × 1 NA SODIUM ION × 1 2CV HEGA-10 × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1 M Hepes-NaOH pH7.5 and 21-24% PEG1500
Resolution 2.80 Å R-free 0.317
6H7L ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST DOBUTAMINE AND NANOBODY Nb6B9 Deposited 2018-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 2–109（108 aa）
Mutation：C32S,C35S 2CV HEGA-10 × 6 NA SODIUM ION × 1 Y00 DOBUTAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1 M Hepes-NaOH pH7.5 and 21-24% PEG1500
Resolution 2.70 Å R-free 0.278
6H7L ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST DOBUTAMINE AND NANOBODY Nb6B9 Deposited 2018-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 2–109（108 aa）
Mutation：C32S,C35S 2CV HEGA-10 × 3 NA SODIUM ION × 1 Y00 DOBUTAMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1 M Hepes-NaOH pH7.5 and 21-24% PEG1500
Resolution 2.70 Å R-free 0.278
6H7M ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST SALBUTAMOL AND NANOBODY Nb6B9 Deposited 2018-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 2–109（108 aa）
Mutation：C32S,C35S 2CV HEGA-10 × 3 68H SALBUTAMOL × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1 M Hepes-NaOH pH7.5 and 21-24% PEG1500
Resolution 2.76 Å R-free 0.285
6H7M ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST SALBUTAMOL AND NANOBODY Nb6B9 Deposited 2018-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 2–109（108 aa）
Mutation：C32S,C35S 2CV HEGA-10 × 4 68H SALBUTAMOL × 1 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1 M Hepes-NaOH pH7.5 and 21-24% PEG1500
Resolution 2.76 Å R-free 0.285
6H7N ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST XAMOTEROL AND NANOBODY Nb6B9 Deposited 2018-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 2–109（108 aa）
Mutation：C32S,C35S FVK ~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide × 1 NA SODIUM ION × 1 2CV HEGA-10 × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1 M Hepes-NaOH pH7.5 and 21-24% PEG1500
Resolution 2.50 Å R-free 0.266
6H7N ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST XAMOTEROL AND NANOBODY Nb6B9 Deposited 2018-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 2–109（108 aa）
Mutation：C32S,C35S FVK ~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide × 1 NA SODIUM ION × 1 2CV HEGA-10 × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1 M Hepes-NaOH pH7.5 and 21-24% PEG1500
Resolution 2.50 Å R-free 0.266
6H7O ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND WEAK PARTIAL AGONIST CYANOPINDOLOL AND NANOBODY Nb6B9 Deposited 2018-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 2–109（108 aa）
Mutation：C32S,C35S P32 Cyanopindolol × 1 NA SODIUM ION × 1 2CV HEGA-10 × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1 M Hepes-NaOH pH7.5 and 21-24% PEG1500
Resolution 2.80 Å R-free 0.274
6H7O ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND WEAK PARTIAL AGONIST CYANOPINDOLOL AND NANOBODY Nb6B9 Deposited 2018-07-31 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 2–109（108 aa）
Mutation：C32S,C35S P32 Cyanopindolol × 1 NA SODIUM ION × 1 2CV HEGA-10 × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1 M Hepes-NaOH pH7.5 and 21-24% PEG1500
Resolution 2.80 Å R-free 0.274
6IBL ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND AGONIST FORMOTEROL AND NANOBODY Nb80 Deposited 2018-11-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 2–109（108 aa）
Mutation：C32S,C35S,C32S,C35S H98 ~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide × 1 NA SODIUM ION × 1 2CV HEGA-10 × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1 M Hepes-NaOH pH7.5 and 21-24% PEG1500
Resolution 2.70 Å R-free 0.277
6IBL ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND AGONIST FORMOTEROL AND NANOBODY Nb80 Deposited 2018-11-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 2–109（108 aa）
Mutation：C32S,C35S,C32S,C35S H98 ~{N}-[5-[(1~{R})-2-[[(2~{R})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide × 1 NA SODIUM ION × 1 2CV HEGA-10 × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；0.1 M Hepes-NaOH pH7.5 and 21-24% PEG1500
Resolution 2.70 Å R-free 0.277
6LUR Human PUF60 UHM domain (thioredoxin fusion) in complex with a small molecule binder Deposited 2020-01-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 8 PDB declaration: octameric
Chain A 1–109（109 aa）
Chain B 1–109（109 aa）
Chain C 1–109（109 aa）
Chain D 1–109（109 aa）
Chain E 1–109（109 aa）
Chain F 1–109（109 aa）
Chain G 1–109（109 aa）
Chain H 1–109（109 aa）
Not recorded EVU 4-[2-[4-(aminomethyl)phenyl]phenyl]piperazin-2-one × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；1.3-1.6M AmSO4, 0.2M potassium formate
Resolution 2.00 Å R-free 0.253
6Y4Y The crystal structure of human MACROD2 in space group P41212 Deposited 2020-02-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–109（109 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；293 K；0.2 M Ammonium tartarate dibasic pH 6.7, 20% PEG 3350
Resolution 1.75 Å R-free 0.227
6Y4Y The crystal structure of human MACROD2 in space group P41212 Deposited 2020-02-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–109（109 aa）
Not recorded TLA L(+)-TARTARIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；293 K；0.2 M Ammonium tartarate dibasic pH 6.7, 20% PEG 3350
Resolution 1.75 Å R-free 0.227
6Y4Y The crystal structure of human MACROD2 in space group P41212 Deposited 2020-02-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–109（109 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；293 K；0.2 M Ammonium tartarate dibasic pH 6.7, 20% PEG 3350
Resolution 1.75 Å R-free 0.227
6Y4Y The crystal structure of human MACROD2 in space group P41212 Deposited 2020-02-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–109（109 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；293 K；0.2 M Ammonium tartarate dibasic pH 6.7, 20% PEG 3350
Resolution 1.75 Å R-free 0.227
6Y4Z The crystal structure of human MACROD2 in space group P43212 Deposited 2020-02-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–109（109 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；293 K；0.2 M Ammonium tartarate dibasic pH 6.7, 20% PEG 3350
Resolution 1.90 Å R-free 0.228
6Y4Z The crystal structure of human MACROD2 in space group P43212 Deposited 2020-02-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–109（109 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；293 K；0.2 M Ammonium tartarate dibasic pH 6.7, 20% PEG 3350
Resolution 1.90 Å R-free 0.228
6Y4Z The crystal structure of human MACROD2 in space group P43212 Deposited 2020-02-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–109（109 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；293 K；0.2 M Ammonium tartarate dibasic pH 6.7, 20% PEG 3350
Resolution 1.90 Å R-free 0.228
6Y4Z The crystal structure of human MACROD2 in space group P43212 Deposited 2020-02-24 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–109（109 aa）
Not recorded TLA L(+)-TARTARIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；293 K；0.2 M Ammonium tartarate dibasic pH 6.7, 20% PEG 3350
Resolution 1.90 Å R-free 0.228
6YEV Crystal structure of MsrA C206 and Trx C35S complex from Escherichia coli Deposited 2020-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–109（109 aa）
Mutation：Cys35Ser NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277.15 K；0.1M BIS-TRIS propane pH 6.5, 0.2M trisodium citrate, 20% PEG 3350
Resolution 2.94 Å R-free 0.258
6YEV Crystal structure of MsrA C206 and Trx C35S complex from Escherichia coli Deposited 2020-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 1–109（109 aa）
Mutation：Cys35Ser NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277.15 K；0.1M BIS-TRIS propane pH 6.5, 0.2M trisodium citrate, 20% PEG 3350
Resolution 2.94 Å R-free 0.258
6YEV Crystal structure of MsrA C206 and Trx C35S complex from Escherichia coli Deposited 2020-03-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 1–109（109 aa）
Mutation：Cys35Ser NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277.15 K；0.1M BIS-TRIS propane pH 6.5, 0.2M trisodium citrate, 20% PEG 3350
Resolution 2.94 Å R-free 0.258
7SCD Ternary complex of fixed-arm Trx-3ost5 (I299E) with 8mer-1 octasaccharide substrate and co-factor product PAP Deposited 2021-09-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Mutation：I299E A3P ADENOSINE-3'-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；295 K；0.2M ammonium tartrate, 20% (w/v) PEG3350
Resolution 2.90 Å R-free 0.252
7SCE Ternary complex of fixed-arm Trx-3ost5 (I299E) with 8mer-2 octasaccharide substrate and co-factor product PAP Deposited 2021-09-27 Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–108（108 aa）
Mutation：I299E A3P ADENOSINE-3'-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.6；295 K；85mM sodium acetate pH 4.6, 0.17M ammonium acetate, 25.5% (w/v) PEG4000, 15% (v/v) ethylene glycol
Resolution 2.75 Å R-free 0.246
8KGZ Crystal structure of single-chain Fv antibody against antigen peptide from SARS-CoV2 S-spike protein Deposited 2023-08-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 1–109（109 aa）
Chain B 1–109（109 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；25% PEG 3350, 0.1M HEPES pH7.5
Resolution 2.21 Å R-free 0.321
8S2N Xenorhabdus bovienii Rhs toxin TreTu complex with TrxA and TriTu immunity protein Deposited 2024-02-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 2–109（108 aa）
Not recorded PEG DI(HYDROXYETHYL)ETHER × 3 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium sulfate, 0.02 M Sodium chloride, 0.02 M Sodium acetate pH 4.0, 33 % v/v PEG 200
Resolution 2.11 Å R-free 0.232

52 other PDB entries and 100 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name THIO_ECOLI
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–108； UniProt 1–108

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 2tir

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2tir
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2tir
Deposition date deposition_date1993-01-10
Structure title titleCRYSTAL STRUCTURE ANALYSIS OF A MUTANT ESCHERICHIA COLI THIOREDOXIN IN WHICH LYSINE 36 IS REPLACED BY GLUTAMIC ACID
Keywords keywordsELECTRON TRANSPORT; ELECTRON TRANSPORT
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_guinier14.54 Å
Radius of gyration Rg (electron density) rg_electron12.83 Å
Forward intensity I(0) i02713220.00
Molecular weight molecular_weight11733.0 kDa
Excluded volume excluded_volume14818 ų
Envelope volume envelope_volume16427 ų
Hydration-shell volume shell_volume10971 ų
Envelope diameter envelope_diameter41.3 Å
Shell Rg shell_rg18.55 Å
Envelope Rg envelope_rg12.96 Å
Shape Rg shape_rg12.82 Å
Total Rg total_rg14.20 Å
Total atoms total_atoms823
Residues n_residues108
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 dmax50.8 Å
Rg (real space) rg_real14.83 Å
Rg uncertainty (real space) rg_real_error0.12 Å
I(0) (real space) i0_real2.6940e+06
I(0) uncertainty (real space) i0_real_error2.4260e+04
Rg (reciprocal space) rg_reciprocal14.41 Å
I(0) (reciprocal space) i0_reciprocal2713000.0000
Solution quality estimate total_estimate0.6408
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary19.3 Å
Skewness Skewness skewness0.272
Kurtosis Kurtosis kurtosis0.274
Angular range angular_range— – 0.5000 Å−1
Current regularization parameter α current_alpha6.3380
Highest regularization parameter α highest_alpha551500.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.666; Stabil: 0.928; Sysdev: 0.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.574
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd2tira_
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.47 — Thioredoxin fold
Superfamily Superfamily superfamilyc.47.1 — Thioredoxin-like
Family Family familyc.47.1.1 — Thioltransferase

CATH v4.4 (1 domains)

Domain ID domain_id2tirA00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology30 — Glutaredoxin
Homologous superfamily homologous superfamily10 — Glutaredoxin
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8. Citations (2)

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9. Files and Curves (10)