2o7o

Crystal structure analysis of TetR(D) complex with doxycycline

Method: X-RAY DIFFRACTION D_max: 70.1 Å Quality: GOOD

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Tetracycline repressor protein class D

Escherichia coli

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 1–207	Fragment：residues 2-208 Mutation：A2S	MG MAGNESIUM ION × 2 SO4 SULFATE ION × 2 CL CHLORIDE ION × 4 DXT (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；1.1M AMMONIUM SULPHATE, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.89 Å R-free 0.243

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 2O7O	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1A6I TET REPRESSOR, CLASS D VARIANT Deposited 1998-02-25	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–217（216 aa）	Mutation：A2S, N5D, R6K, E7S, S8K, D11N, A12S, T20V, D23E, I36V	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；pH 8.0	Resolution 2.40 Å R-free 0.275
1BJZ TETRACYCLINE CHELATED MG2+-ION INITIATES HELIX UNWINDING FOR TET REPRESSOR INDUCTION Deposited 1998-06-29	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–207（206 aa）	Mutation：A2S	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；pH 8.0	Resolution 2.20 Å R-free 0.296
1ORK TET REPRESSOR, CLASS D IN COMPLEX WITH 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEMETHYL-6-DEOXY-TETRACYCLINE Deposited 1998-05-21	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–207（206 aa）	Mutation：S2A	MG MAGNESIUM ION × 2 ATC 9-(N,N-DIMETHYLGLYCYLAMIDO)-6-DEOXY-6-DEMETHYL-TETRACYCLINE × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；pH 8.0	Resolution 2.40 Å R-free 0.275
1QPI CRYSTAL STRUCTURE OF TETRACYCLINE REPRESSOR/OPERATOR COMPLEX Deposited 1999-05-25	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Homooligomer；Protein × 2 PDB declaration: hexameric	Chain A 3–205（203 aa）	Not recorded	IMD IMIDAZOLE × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；pH 8.00	Resolution 2.50 Å R-free 0.307
2FJ1 Crystal Structure Analysis of Tet Repressor (class D) in Complex with 7-Chlortetracycline-Nickel(II) Deposited 2005-12-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa） Fragment：residues 2-208	Mutation：A2S	NI NICKEL (II) ION × 2 CL CHLORIDE ION × 6 CTC 7-CHLOROTETRACYCLINE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；293 K；1.58 M Ammonium sulphate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.20 Å R-free 0.215
2NS7 How an in vitro selected peptide mimics the antibiotic tetracycline to induce TET repressor Deposited 2006-11-03	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 188–208（21 aa） Chain B 188–208（21 aa）	Mutation：C68S, C88N, C121T, C144S Mutation：C68S, C88N, C121T, C144S	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；1.4M ammonium sulfate, 0.1M sodium chloride, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K	Resolution 2.40 Å R-free 0.277
2NS7 How an in vitro selected peptide mimics the antibiotic tetracycline to induce TET repressor Deposited 2006-11-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 188–208（21 aa） Chain D 188–208（21 aa）	Mutation：C68S, C88N, C121T, C144S Mutation：C68S, C88N, C121T, C144S	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；1.4M ammonium sulfate, 0.1M sodium chloride, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K	Resolution 2.40 Å R-free 0.277
2NS8 How an in vitro selected peptide mimics the antibiotic tetracycline to induce TET repressor Deposited 2006-11-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 188–208（21 aa） Chain B 188–208（21 aa）	Mutation：C68S, C88N, C121T, C144S Mutation：C68S, C88N, C121T, C144S	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；292 K；4M sodium formate, 0.1M Tris-HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 292K	Resolution 2.55 Å R-free 0.270
2NS8 How an in vitro selected peptide mimics the antibiotic tetracycline to induce TET repressor Deposited 2006-11-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 188–208（21 aa） Chain D 188–208（21 aa）	Mutation：C68S, C88N, C121T, C144S Mutation：C68S, C88N, C121T, C144S	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；292 K；4M sodium formate, 0.1M Tris-HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 292K	Resolution 2.55 Å R-free 0.270
2NS8 How an in vitro selected peptide mimics the antibiotic tetracycline to induce TET repressor Deposited 2006-11-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Insufficient information Heteromer；Protein × 9 PDB declaration: nonameric	Chain A 188–208（21 aa） Chain B 188–208（21 aa） Chain C 188–208（21 aa） Chain D 188–208（21 aa）	Mutation：C68S, C88N, C121T, C144S Mutation：C68S, C88N, C121T, C144S Mutation：C68S, C88N, C121T, C144S Mutation：C68S, C88N, C121T, C144S	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；292 K；4M sodium formate, 0.1M Tris-HCl, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 292K	Resolution 2.55 Å R-free 0.270
2TCT THE COMPLEX FORMED BETWEEN TET REPRESSOR AND TETRACYCLINE-MG2+ REVEALS MECHANISM OF ANTIBIOTIC RESISTANCE Deposited 1995-03-02	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–207（207 aa）	Not recorded	MG MAGNESIUM ION × 2 CTC 7-CHLOROTETRACYCLINE × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.10 Å
2TRT TETRACYCLINE REPRESSOR CLASS D Deposited 1994-03-04	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–217（217 aa）	Not recorded	MG MAGNESIUM ION × 2 TAC TETRACYCLINE × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.50 Å
2VKE Tet repressor class D complexed with cobalt and tetracycline Deposited 2007-12-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa） Fragment：RESIDUES 2-208	Not recorded	TAC TETRACYCLINE × 2 CO COBALT (II) ION × 2 CL CHLORIDE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；HANGING DROP VAPOR DIFFUSION WITH 2 UL (18 MG/ML PROTEIN) AND 2 UL (0.8 M AS, 50 MM TRIS/CL PH 7.5, 200 MM NACL, 5 MM COCL2). CRYSTAL WAS CRYOCOOLED WITH PARAFFIN OIL AS CRYOPROTECTANT. CRYSTAL SIZE WAS 0.6 X 0.6 X 0.2 MM	Resolution 1.62 Å R-free 0.297
2VKV TetR (BD) variant L17G with reverse phenotype Deposited 2008-01-02	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 51–208（158 aa） Fragment：RESIDUES 1-50,51-208	Mutation：YES	TDC 5A,6-ANHYDROTETRACYCLINE × 2 MG MAGNESIUM ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 8.7；277 K；0.1 M TRIS-HCL (PH 8.7), 0.3 M MGCL2, 20 % PEG 4000, 3 % DIOXANE, AT 277 K	Resolution 1.74 Å R-free 0.225
2X6O Tet Repressor class D in complex with 7-chlor-2-cyano-iso- tetracycline Deposited 2010-02-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 3–208（206 aa） Fragment：DNA-BINDING DOMAIN, RESIDUES 3-208	Not recorded	2TC (4S,4AS,6S,8AS)-6-[(1S)-7-CHLORO-4-HYDROXY-1-METHYL-3-OXO-1,3-DIHYDRO-2-BENZOFURAN-1-YL]-4-(DIMETHYLAMINO)-3,8A-DIHYDROXY-1,8-DIOXO-1,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALENE-2-CARBONITRILE × 2 CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；50 MM TRIS/HCL PH 9.5, 750 MM (NH4)2SO4, 70 MM NACL, 1 MM EDTA	Resolution 2.30 Å R-free 0.269
2X9D Tet repressor (class D) in complex with iso-7-chlortetracycline Deposited 2010-03-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa） Fragment：RESIDUES 2-208	Mutation：YES	ITC ISO-7-CHLORTETRACYCLINE × 2 CL CHLORIDE ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；0.002ML PROTEIN/COMPLEX (0.050 ML TETR(D) (C = 17.3 MG/ML)50 ML 2MM ISO-CLTC) PLUS ML BUFFER (50 MM TRIS PH 8, 1.1 M (NH4)2SO4, 100 MM NACL, 10 MM MGCL2) HANGING DROP AGAINST 0.5 ML BUFFER	Resolution 2.34 Å R-free 0.280
2XB5 Tet repressor (class D) in complex with 7-Iodotetracycline Deposited 2010-04-05	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa） Fragment：RESIDUES 2-208	Not recorded	I7T 7-IODOTETRACYCLINE × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；10MICROL PROTEIN (0.2MM TETR, 1MM IODOTC, 5MM MGCL2), 5MICROL RESERVOIR (35% AMMONIUM SULPHATE, TRIS-HCL PH 7.2) VAPOUR DIFFUSSION HANGING DROP	Resolution 2.50 Å R-free 0.230
2XGC Crystal structure of a designed heterodimeric variant T-A(I)B of the tetracycline repressor Deposited 2010-06-03	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 51–208（158 aa） Fragment：RESIDUES 1-50,51-208	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.15 Å R-free 0.271
2XGC Crystal structure of a designed heterodimeric variant T-A(I)B of the tetracycline repressor Deposited 2010-06-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 51–208（158 aa） Fragment：RESIDUES 1-50,51-208	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.15 Å R-free 0.271
2XGD Crystal structure of a designed homodimeric variant T-A(L)A(L) of the tetracycline repressor Deposited 2010-06-03	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 51–208（158 aa） Fragment：RESIDUES 1-50,51-208	Mutation：YES	CL CHLORIDE ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.25 Å R-free 0.259
2XGE Crystal structure of a designed heterodimeric variant T-A(A)B of the tetracycline repressor Deposited 2010-06-03	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 51–208（158 aa） Fragment：RESIDUES 1-50,51-208	Not recorded	EDO 1,2-ETHANEDIOL × 2 NA SODIUM ION × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.14 Å R-free 0.260
2XGE Crystal structure of a designed heterodimeric variant T-A(A)B of the tetracycline repressor Deposited 2010-06-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 51–208（158 aa） Fragment：RESIDUES 1-50,51-208	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.14 Å R-free 0.260
2XPU TetR(D) in complex with anhydrotetracycline. Deposited 2010-08-30	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa） Fragment：RESIDUES 2-208	Not recorded	TDC 5A,6-ANHYDROTETRACYCLINE × 2 CL CHLORIDE ION × 4 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions 50 MM MES PH 6.5, 1.1 M (NH4)2SO4, 100 MM NACL, 1 MM EDTA	Resolution 1.55 Å R-free 0.272
2XPU TetR(D) in complex with anhydrotetracycline. Deposited 2010-08-30	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa） Fragment：RESIDUES 2-208	Not recorded	TDC 5A,6-ANHYDROTETRACYCLINE × 2 CL CHLORIDE ION × 4 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions 50 MM MES PH 6.5, 1.1 M (NH4)2SO4, 100 MM NACL, 1 MM EDTA	Resolution 1.55 Å R-free 0.272
2XPV TetR(D) in complex with minocycline and magnesium. Deposited 2010-08-30	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa） Fragment：RESIDUES 2-208	Not recorded	MIY (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 16	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；12% PEG 6000, 2.0 M NACL, pH 8	Resolution 1.49 Å R-free 0.201
2XPW TetR(D) in complex with oxytetracycline and magnesium. Deposited 2010-08-30	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa） Fragment：RESIDUES 2-208	Not recorded	OTC OXYTETRACYCLINE × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 6 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions 0.45 M NA-MALONATE, 0.45 M NA-SUCCINATE, 0.1 M NA-CACODYLATE PH 5.55	Resolution 1.44 Å R-free 0.205
2XRL Tet-repressor class D T103A with doxycycline Deposited 2010-09-16	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 3–208（206 aa） Fragment：RESIDUES 2-208	Mutation：YES	CL CHLORIDE ION × 4 DXT (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE × 2 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；HANGING DROP VAPOR DIFFUSION WITH 2 UL (14 MG/ML PROTEIN) AND 2 UL (0.6 M NACL, 15 % PEG 4000, 0.1 M MES PH 6.5). CRYSTAL WAS CRYOCOOLED WITH PARAFFIN OIL AS CRYOPROTECTANT.	Resolution 1.85 Å R-free 0.279
3FK6 Crystal structure of TetR triple mutant (H64K, S135L, S138I) Deposited 2008-12-16	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 51–208（158 aa） Fragment：DNA-binding domain (residues 1-50) and the effector-binding domain (residues 51-208) Chain B 51–208（158 aa） Fragment：DNA-binding domain (residues 1-50) and the effector-binding domain (residues 51-208)	Mutation：H64K, S135L, S138I Mutation：H64K, S135L, S138I	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；1M dipotassium hydrogen phosphate, 200mM sodium chloride, 50mM Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K	Resolution 2.10 Å R-free 0.262
3FK7 Crystal structure of TetR triple mutant (H64K, S135L, S138I) in complex with 4-ddma-atc Deposited 2008-12-16	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 51–208（158 aa） Fragment：DNA-binding domain (residues 1-50) and the effector-binding domain (residues 51-208) Chain B 51–208（158 aa） Fragment：DNA-binding domain (residues 1-50) and the effector-binding domain (residues 51-208)	Mutation：H64K, S135L, S138I Mutation：H64K, S135L, S138I	MG MAGNESIUM ION × 2 4DM (4aS,12aS)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydrotetracene-2-carboxamide × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；1M dipotassium hydrogen phosphate, 200mM sodium chloride, 50mM Tris-HCl, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K	Resolution 2.06 Å R-free 0.261
3ZQF Structure of Tetracycline repressor in complex with antiinducer peptide-TAP1 Deposited 2011-06-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 188–208（21 aa） Fragment：RESIDUES 1-187,188-208	Mutation：YES	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 6；RESERVOIR: 3 M NACL, 0.1 M BIS-TRIS, PH 6.	Resolution 2.56 Å R-free 0.247
3ZQG Structure of Tetracycline repressor in complex with antiinducer peptide-TAP2 Deposited 2011-06-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 188–208（21 aa） Fragment：RESIDUES 1-187,188-208	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；RESERVOIR: 3 M NACL, 0.1 M BIS-TRIS, PH 6.5	Resolution 2.45 Å R-free 0.234
3ZQH Structure of Tetracycline repressor in complex with inducer peptide- TIP3 Deposited 2011-06-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 188–208（21 aa） Fragment：RESIDUES 1-187,188-208	Mutation：YES	EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 9；0.2 M NACL, 0.1 M TRIS PH 9.0, 25% PEG 3350.	Resolution 1.60 Å R-free 0.224
3ZQI Structure of Tetracycline repressor in complex with inducer peptide- TIP2 Deposited 2011-06-09	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 188–208（21 aa） Fragment：RESIDUES 1-187,188-208 Chain B 188–208（21 aa） Fragment：RESIDUES 1-187,188-208	Mutation：YES Mutation：YES	EDO 1,2-ETHANEDIOL × 5 MG MAGNESIUM ION × 1 PG4 TETRAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；0.2 M MAGNESIUM ACETATE, 0.1 M SODIUM CACODYLATE, PH 7.0, 20% PEG 8000.	Resolution 1.50 Å R-free 0.195
4ABZ TetR(D) in Complex with Tigecycline and Magnesium, co-crystallized Deposited 2011-12-12	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain AAA 2–208（207 aa）	Mutation：A2S	T1C TIGECYCLINE × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；Protein: 10.0 mg/mL TetR(D), 0.2M NaCl, 50 mM Tris/HCl, pH 8.0, 2mM [TigeTC], 2mM MgCl2. Precipitant: 1M (NH4)2SO4, 0.2M NaCl, 0.05M Tris/HCl, pH 8.0, 10mM MgCl2. Protein/precipitant 2+2 microL, against 0.5mL Precipitant.	Resolution 1.89 Å R-free 0.258
4AUX Tet repressor class D in complex with 9-nitrotetracycline Deposited 2012-05-22	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa） Fragment：RESIDUES 2-208	Not recorded	XTC (4S,4aS,5aR,12aS)-4-(dimethylamino)-3,10,12,12a-tetrahydroxy-9-nitro-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；1 M (NH4)2S04, 200 MM NACL, 5 MM MGCL2 AND 20 MM TRIS-HCL, PH 8.0 WITH 10 MG/ML TETR, 2 MM 9-NITROTC AND 5 MM MGCL2, HANGING DROP, TEMPERATURE 291K	Resolution 2.25 Å R-free 0.258
4B1R Tetracycline repressor class D mutant H100A in complex with iso-7- Chlortetracycline Deposited 2012-07-12	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 3–208（206 aa） Fragment：RESIDUES 3-208	Mutation：YES	ITC ISO-7-CHLORTETRACYCLINE × 2 CL CHLORIDE ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；0.1 M MES, PH 6.5, 0.6 M LI2SO4, 16.7 % PEG 4000	Resolution 1.95 Å R-free 0.260
4B3A Tetracycline repressor class D mutant H100A in complex with tetracycline Deposited 2012-07-23	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa） Fragment：RESIDUES 2-208	Mutation：YES	TAC TETRACYCLINE × 2 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；0.5 M AMMONIUM SULPHATE, 1 M LITHIUM SULPHATE, 0.1 M MES PH 6.5	Resolution 1.70 Å R-free 0.250
4D7M TetR(D) in complex with anhydrotetracycline and magnesium Deposited 2014-11-25	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa）	Not recorded	TDC 5A,6-ANHYDROTETRACYCLINE × 2 MG MAGNESIUM ION × 2 SO4 SULFATE ION × 2 CL CHLORIDE ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions pH 9；50 MM TRIS-HCL PH 9.0, 1 M (NH4)2SO4, 70 MM NACL, 10 MM MGCL2	Resolution 1.55 Å R-free 0.217
4V2F Tetracycline repressor TetR(D), unliganded Deposited 2014-10-09	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 3–208（206 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；PH 8.0	Resolution 2.40 Å R-free 0.278
4V2G Tetracycline repressor TetR(D) bound to chlortetracycline and iso- chlortetracycline Deposited 2014-10-09	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 3–208（206 aa） Chain B 3–208（206 aa）	Not recorded	ITC ISO-7-CHLORTETRACYCLINE × 1 CTC 7-CHLOROTETRACYCLINE × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 8；PH 8.0	Resolution 2.71 Å R-free 0.252
6FPL TETR(D) E147A MUTANT IN COMPLEX WITH TETRACYCLINE AND MAGNESIUM Deposited 2018-02-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa）	Mutation：A2S, E147A	TAC TETRACYCLINE × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；Precipitant 0.1M Na-citrat, 0.8M Li2SO4, 0.5M (NH4)2SO4, 0.1mL Protein (10.19mg/ml, 0.1M MES pH 6.5) + 0.1mL 2mM Tc + 0.001mL 3M MgCl2 1:4 Precipitant/Protein	Resolution 1.60 Å R-free 0.221
6FPM TetR(D) T103A mutant in complex with tetracycline and magnesium Deposited 2018-02-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa）	Mutation：A2S, T103A	TAC TETRACYCLINE × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；0.1M MES pH 6.5, 24% PEG 400, 70mM MgCl2. 2mM TC, 14.55mg/ml protein	Resolution 1.85 Å R-free 0.267
6FTS TETR(D) N82A MUTANT IN COMPLEX WITH PEG4 Deposited 2018-02-23	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 3–208（206 aa）	Not recorded	PG4 TETRAETHYLENE GLYCOL × 2 CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；Precipitant: 2M (NH4)2SO4, 6% PEG400, 0.1M Tris pH8.5. 19.65mg/ml Protein, 2mM Tetracycline, 3M MgCl2.	Resolution 2.00 Å R-free 0.272
6QJW TetR(D) T103A mutant in complex with 7-chlortetracycline and magnesium Deposited 2019-01-27	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa）	Mutation：A2S, T103A	CTC 7-CHLOROTETRACYCLINE × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；Precipitant: 30%PEG 400, 0.1M MES pH 6.5, 60 mM MgCl2. Protein: 12.15 mg/mL protein in 100mM NaCl, 50 mM Tris buffer, pH 8.0, 4mM 7ClTc, 3M MgCl2. Protein/precipitant 1/1	Resolution 2.10 Å R-free 0.290
6QJX TetR(D) T103A mutant in complex with minocycline and magnesium Deposited 2019-01-27	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa）	Mutation：A2S, T103A	MIY (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；295 K；Precipitant: 0.1 M MES pH 6.5, 24% PEG 400, 70 mM MgCl2. Protein: 14.55 mg/mL protein in 100mM NaCl, 50 mM Tris buffer, pH 8.0, with 2mM MinoTc, 0.38 uL 3M MgCl2. Precipitant/protein 1/4.	Resolution 2.10 Å R-free 0.280
6RBL TETR(D) E147A MUTANT IN COMPLEX WITH DOXYCYCLINE AND MAGNESIUM Deposited 2019-04-10	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa）	Mutation：A2S, E147A	DXT (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；Precipitant: 2.0M (NH4)2SO4, 3% PEG 400, 0.1M MES pH 6.5, Protein: 0.1mL protein, 0.1,L 2mM doxyTc, 0.001mL 3M MgCl2, 100mM NaCl, 50mM Tris pH8.0, 1/3 protein/precipitant	Resolution 1.90 Å R-free 0.246
6RBM TETR(D) E147A MUTANT IN COMPLEX WITH MINOCYCLINE AND MAGNESIUM Deposited 2019-04-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa）	Mutation：A2S, E147A	MIY (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；precipitant: 0.5M (NH4)2SO4, 0.68M Li2SO4, 0.1M Na-citrate, protein: 0.1mL protein, 0.1mL 2mM minoTc, 0.0005mL 3M MgCl2, 100 mM NaCl, 50 mM Tris pH 8.0, ratio 2/2	Resolution 2.05 Å R-free 0.263
6RCR TETR(D) H100A MUTANT IN COMPLEX WITH DOXYCYCLINE AND MAGNESIUM Deposited 2019-04-11	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–208（207 aa）	Mutation：A2S, H100A	DXT (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；precipitant: 0.5M (NH4)2SO4, 1.0M Li2SO4, 0.1 M MES pH 6.5, protein: 0.050mL protein(10mg/mL), 0.050mL 2mM doxyTc, 0.0005mL 3M MgCl2, 100mM NaCl, 50mM Tris pH 8.0, 371 protein/precipitant	Resolution 2.05 Å R-free 0.257
6RGX TETR(D) N82A MUTANT IN COMPLEX WITH DOXYCYCLINE AND MAGNESIUM Deposited 2019-04-17	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 3–208（206 aa） Chain B 3–208（206 aa）	Mutation：A2S, N82A Mutation：A2S, N82A	CL CHLORIDE ION × 10 PG4 TETRAETHYLENE GLYCOL × 1 PGE TRIETHYLENE GLYCOL × 1 DXT (4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；precipitant: 0.1 M HEPES pH 7.5, 1.75M (NH4)2SO4, 5% PEG 400, 0.2M NaCl, protein: 0.1mL protein, 0.3mL 2mM doxyTc, 0.001mL 3M MgCl2, 100mM NaCl, 50mM Tris, pH 8.0, Protein/precipitant 2/2	Resolution 1.80 Å R-free 0.243
6YR1 TetR(D) soaked with Tigecycline I4(1)22 Deposited 2020-04-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain AAA 2–208（207 aa）	Mutation：A2S	T1C TIGECYCLINE × 2 MG MAGNESIUM ION × 2 CL CHLORIDE ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；Native crystal soaked in 1M (NH4)2SO4, 0.2M NaCl, 0.05M Tris/HCl, pH 7.0, 0.0142 mM Tigecycline, 2mM MgCl2, 22days	Resolution 2.30 Å R-free 0.279
6YR2 TetR(D) soaked with Tigecycline P4(1)2(1)2 Deposited 2020-04-19	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain AAA 2–208（207 aa） Chain BBB 2–208（207 aa）	Mutation：A2S Mutation：A2S	SO4 SULFATE ION × 2 CL CHLORIDE ION × 8 T1C TIGECYCLINE × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；Native crystal soaked in 1M (NH4)2SO4, 0.2M NaCl, 0.05M Tris/HCl, pH 7.0, 0.142 mM TigeTC, 2mM MgCl2, 14hours.	Resolution 1.95 Å R-free 0.237

45 other PDB entries and 51 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	TETR4_ECOLI
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–207； UniProt 1–207

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

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	2o7o
Deposition date deposition_date	2006-12-11
Structure title title	Crystal structure analysis of TetR(D) complex with doxycycline
Keywords keywords	helix-turn-helix, metal coordination, TRANSCRIPTION REGULATOR; TRANSCRIPTION REGULATOR
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	20.83 Å
Radius of gyration Rg (electron density) rg_electron	20.21 Å
Forward intensity I(0) i0	10785100.00
Molecular weight molecular_weight	23888.0 kDa
Excluded volume excluded_volume	29733 Å³
Envelope volume envelope_volume	36815 Å³
Hydration-shell volume shell_volume	16312 Å³
Envelope diameter envelope_diameter	73.7 Å
Shell Rg shell_rg	25.30 Å
Envelope Rg envelope_rg	20.73 Å
Shape Rg shape_rg	20.19 Å
Total Rg total_rg	21.05 Å
Total atoms total_atoms	1681
Residues n_residues	207
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	70.1 Å
Rg (real space) rg_real	20.87 Å
Rg uncertainty (real space) rg_real_error	0.63 Å
I(0) (real space) i0_real	1.0790e+07
I(0) uncertainty (real space) i0_real_error	1.5870e+05
Rg (reciprocal space) rg_reciprocal	20.86 Å
I(0) (reciprocal space) i0_reciprocal	10790000.0000
Solution quality estimate total_estimate	0.7958
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	3
Primary peak position r_peak_primary	20.3 Å
Skewness Skewness skewness	0.359
Kurtosis Kurtosis kurtosis	-0.425
Angular range angular_range	— – 0.3800 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	2352000.0000
Real-space data points n_real_points	70
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.805; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.928; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (6)

Entity 1 Entity 1 polymer

Description description	Tetracycline repressor protein class D
Molecular weight formula_weight	23288.3 kDa
Mutation mutation	A2S
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	1803

SRLNRESVIDAALELLNETGIDGLTTRKLAQKLGIEQPTLYWHVKNKRALLDALAVEILARHHDYSLPAAGESWQSFLRNNAMSFRRALLRYRDGAKVHLGTRPDEKQYDTVETQLRFMTENGFSLRDGLYAISAVSHFTLGAVLEQQEHTAALTDRPAAPDENLPPLLREALQIMDSDDGEQAFLHGLESLIRGFEVQLTALLQIV

来源 Source

来源生物 organism	Escherichia coli
NCBI Class编号 ncbi_taxonomy_id	562
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	MAGNESIUM ION
Molecular weight formula_weight	24.3 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	CHLORIDE ION
Molecular weight formula_weight	35.5 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 5 Entity 5 non-polymer

Description description	;(4S,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE ;
Molecular weight formula_weight	444.4 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	102

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d2o7oa1
Class class	a — All alpha proteins
Fold Fold fold	a.4 — DNA/RNA-binding 3-helical bundle
Superfamily Superfamily superfamily	a.4.1 — Homeodomain-like
Family Family family	a.4.1.9 — Tetracyclin repressor-like, N-terminal domain

Domain ID domain_id	d2o7oa2
Class class	a — All alpha proteins
Fold Fold fold	a.121 — Tetracyclin repressor-like, C-terminal domain
Superfamily Superfamily superfamily	a.121.1 — Tetracyclin repressor-like, C-terminal domain
Family Family family	a.121.1.1 — Tetracyclin repressor-like, C-terminal domain

CATH v4.4 (2 domains)

Domain ID domain_id	2o7oA01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	10 — Arc Repressor Mutant, subunit A
Homologous superfamily homologous superfamily	60 — Homeodomain-like

Domain ID domain_id	2o7oA02
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	357 — Tetracycline Repressor; domain 2
Homologous superfamily homologous superfamily	10 — Tetracycline Repressor, domain 2

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8. Citations (1)

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Unit-cell length a length_a	65.830 Å
Unit-cell length b length_b	65.830 Å
Unit-cell length c length_c	179.502 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	16

Space group space_group	I 41 2 2
Space-group number int_tables_number	98
Crystal system crystal_system	—

Resolution resolution	1.890 Å
Low-resolution limit resolution_low	19.340 Å
R factor r_factor	0.2042
R_work r_work	0.2021
R_free r_free	0.2432

fit	/app/data/saxs_computation/o7/2o7o/2o7o.fit
pddf	/app/data/pr_computation/o7/2o7o/2o7o.pr.out
profile	/app/data/saxs_computation/o7/2o7o/2o7o.dat