Thioredoxin 1
Escherichia coli (strain K12)
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 heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count | Chain E； UniProt 2–109 | Mutation：C32S,C35S | Beta-1 adrenergic receptor × 1 （P07700） Camelid antibody fragment Nb80 × 1 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 |
| 2 | Protein heterocomplex Heteromer Protein × 3 PDB declaration: trimeric（3） Consistent with protein copy count | Chain F； UniProt 2–109 | Mutation：C32S,C35S | Beta-1 adrenergic receptor × 1 （P07700） Camelid antibody fragment Nb80 × 1 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 |
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 6H7J | 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 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
1–108（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 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
1–108（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 construct 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）
|
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 construct 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）
|
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 construct 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）
|
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 construct 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）
|
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 construct 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 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 construct 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）
|
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 construct 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）
|
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 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
1–108（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 construct 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）
|
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 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
1–108（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 construct 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）
|
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 construct 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）
|
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 construct 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）
|
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 construct 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）
|
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 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
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 construct 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）
|
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 construct 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）
|
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 construct 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）
|
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 construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions 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 construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions 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 construct 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）
|
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 construct 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 construct 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 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
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 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
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 mutation/modification Different oligomeric state 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 mutation/modification Different oligomeric state 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 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
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 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
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 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 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
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 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
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 mutation/modification Different oligomeric state 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/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 mutation/modification Different oligomeric state 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/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 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
1–108（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 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
1–108（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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 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
1–108（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 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
1–108（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 |
| 2TIR CRYSTAL STRUCTURE ANALYSIS OF A MUTANT ESCHERICHIA COLI THIOREDOXIN IN WHICH LYSINE 36 IS REPLACED BY GLUTAMIC ACID Deposited 1993-01-10 | 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
1–108（108 aa）
|
Not recorded | CU COPPER (II) ION × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.00 Å |
| 2TRX CRYSTAL STRUCTURE OF THIOREDOXIN FROM ESCHERICHIA COLI AT 1.68 ANGSTROMS RESOLUTION Deposited 1990-03-19 | 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
1–108（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 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
1–108（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 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
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 construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions 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 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
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 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
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 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
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 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
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 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
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 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
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 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
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 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
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 mutation/modification Different oligomeric state 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 mutation/modification 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 |
| 6H7L ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND PARTIAL AGONIST DOBUTAMINE AND NANOBODY Nb6B9 Deposited 2018-07-31 | Different ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 mutation/modification Different oligomeric state Different ligand/ion 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 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
1–109（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 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
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 mutation/modification 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 mutation/modification 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 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
1–109（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 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
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 mutation/modification 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 mutation/modification 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 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
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 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
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 mutation/modification 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 99 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 E； PDBConstruct 1–108； UniProt 2–109 Author chain F； PDBConstruct 1–108； UniProt 2–109 |
