8cwr

Complex structure of WhiB3 and the SigmaAr4-RNAP Beta flap tip chimera in space group R3

Method: X-RAY DIFFRACTION D_max: 66.8 Å Quality: GOOD

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

Redox- and pH-responsive transcriptional regulator WhiB3

Mycobacterium tuberculosis

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Insufficient information Heteromer Protein × 6 PDB declaration: hexameric（6） Consistent with protein copy count	Chain A； UniProt 1–90	Not recorded	RNA polymerase sigma factor SigA,DNA-directed RNA polymerase subunit beta × 3 （P9WGI1,P9WGY9） SF4 IRON/SULFUR CLUSTER × 3 SO4 SULFATE ION × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 3 NI NICKEL (II) ION × 9	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 8；293 K；10-20 mM NiCl2, 0.8-1.0 M Li2SO4	Resolution 1.50 Å R-free 0.212

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 8CWR	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
8CWT Complex structure of WhiB3 and the SigmaAr4-RNAP Beta flap tip chimera in space group P43212 Deposited 2022-05-19	Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric	Chain A 1–90（90 aa） Chain C 1–90（90 aa） Chain E 1–90（90 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 3 SO4 SULFATE ION × 25 NI NICKEL (II) ION × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；10-20 mM NiCl2, 0.8-1.0 M Li2SO4	Resolution 1.35 Å R-free 0.174
8CYF WhiB3 bound to SigmaAr4-RNAP Beta flap tip chimera and DNA Deposited 2022-05-23	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: tetrameric	Chain A 1–102（102 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 1 CAC CACODYLATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M Ca(Ac)2, 0.1 M Na Cacodylate, pH 6.5, 10%~13% PEG8000	Resolution 2.44 Å R-free 0.251

2 other PDB entries and 2 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	WHIB3_MYCTU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–90； UniProt 1–90

RNA polymerase sigma factor SigA,DNA-directed RNA polymerase subunit beta

Mycobacterium tuberculosis

UniProt P9WGI1

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Insufficient information Heteromer Protein × 6 PDB declaration: hexameric（6） Consistent with protein copy count	Chain B； UniProt 446–528	Not recorded	Redox- and pH-responsive transcriptional regulator WhiB3 × 3 （P9WF41） SF4 IRON/SULFUR CLUSTER × 3 SO4 SULFATE ION × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 3 NI NICKEL (II) ION × 9	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 8；293 K；10-20 mM NiCl2, 0.8-1.0 M Li2SO4	Resolution 1.50 Å R-free 0.212

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 8CWR	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
5UH5 Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 3 nt of RNA Deposited 2017-01-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain F 1–528（528 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；400 ul 50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 3.75 Å R-free 0.248
5UH6 Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 2ntRNA in complex with Rifampin Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain F 1–528（528 aa）	Not recorded	RFP RIFAMPICIN × 1 ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 3.84 Å R-free 0.264
5UH8 Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 4nt RNA Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain F 1–528（528 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 4.18 Å R-free 0.257
5UH9 Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 2nt RNA Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain F 1–528（528 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；50 mM Tris-HCl, pH 8.3, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 4.40 Å R-free 0.332
5UHA Crystal structure of Mycobacterium tuberculosis transcription initiation complex Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain F 1–528（528 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；295 K；50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 3.91 Å R-free 0.279
5UHB Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with Rifampin Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain F 1–528（528 aa）	Not recorded	RFP RIFAMPICIN × 1 ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 4.29 Å R-free 0.267
5UHC Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 3nt RNA in complex with Rifampin Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain F 1–528（528 aa）	Not recorded	RFP RIFAMPICIN × 1 ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；50 mM Tris-HCl, pH 8.5, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 3.80 Å R-free 0.267
5UHD Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 4nt RNA in complex with Rifampin Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain F 1–528（528 aa）	Not recorded	RFP RIFAMPICIN × 1 ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 4.01 Å R-free 0.264
5UHE Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-AAP1 Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain F 1–528（528 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1 88G Nalpha-(benzenecarbonyl)-N-(2-methylphenyl)-D-phenylalaninamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；295 K；50 mM Tris-HCl, pH 8.3, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 4.04 Å R-free 0.259
5UHF Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-IX336 Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain F 1–528（528 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1 88D N-(2-methylphenyl)-Nalpha-(selenophene-2-carbonyl)-D-phenylalaninamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.4；295 K；50 mM Tris-HCl, pH 8.4, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 4.34 Å R-free 0.267
5UHG Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-AAP1 and Rifampin Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain F 1–528（528 aa）	Not recorded	RFP RIFAMPICIN × 1 ZN ZINC ION × 2 MG MAGNESIUM ION × 1 88G Nalpha-(benzenecarbonyl)-N-(2-methylphenyl)-D-phenylalaninamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；295 K；50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 3.97 Å R-free 0.260
6FBV Single particle cryo em structure of Mycobacterium tuberculosis RNA polymerase in complex with Fidaxomicin Deposited 2017-12-19	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain F 1–528（528 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1 FI8 Fidaxomicin × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8；3.5 microliter 1 microM Mtb RNAP-Lpm and 50 microMolar Lpm in 20 mM Tris-HCl, pH 8.0, 75 mM NaCl, 5 mM MgCl2, 5 mM dithiothreitol, and 0.1% n-octyl-beta-D-glucopyranoside cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.52 Å R-free 0.331
6ONO Complex structure of WhiB1 and region 4 of SigA in C2221 space group Deposited 2019-04-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 417–528（112 aa） Fragment：region 4 (UNP residues 417-528)	Non-standard monomer：Yes (specific site not provided by mmCIF)	SF4 IRON/SULFUR CLUSTER × 1 PEG DI(HYDROXYETHYL)ETHER × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；100 mM Bis-Tris, pH 5.5, 200 mM magnesium chloride, 25% PEG3350	Resolution 1.85 Å R-free 0.237
6ONO Complex structure of WhiB1 and region 4 of SigA in C2221 space group Deposited 2019-04-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 417–528（112 aa） Fragment：region 4 (UNP residues 417-528)	Non-standard monomer：Yes (specific site not provided by mmCIF)	SF4 IRON/SULFUR CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；100 mM Bis-Tris, pH 5.5, 200 mM magnesium chloride, 25% PEG3350	Resolution 1.85 Å R-free 0.237
6ONU Complex structure of WhiB1 and region 4 of SigA in P21 space group. Deposited 2019-04-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 417–528（112 aa） Fragment：region 4 (UNP residues 417-528)	Non-standard monomer：Yes (specific site not provided by mmCIF)	SF4 IRON/SULFUR CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；291 K；100 mM Bis-Tris, pH 5.5, 200 mM magnesium chloride, 25% PEG3350	Resolution 1.85 Å R-free 0.235
6ONU Complex structure of WhiB1 and region 4 of SigA in P21 space group. Deposited 2019-04-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 417–528（112 aa） Fragment：region 4 (UNP residues 417-528)	Non-standard monomer：Yes (specific site not provided by mmCIF)	SF4 IRON/SULFUR CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；291 K；100 mM Bis-Tris, pH 5.5, 200 mM magnesium chloride, 25% PEG3350	Resolution 1.85 Å R-free 0.235
6ONU Complex structure of WhiB1 and region 4 of SigA in P21 space group. Deposited 2019-04-22	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 F 417–528（112 aa） Fragment：region 4 (UNP residues 417-528)	Non-standard monomer：Yes (specific site not provided by mmCIF)	SF4 IRON/SULFUR CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；291 K；100 mM Bis-Tris, pH 5.5, 200 mM magnesium chloride, 25% PEG3350	Resolution 1.85 Å R-free 0.235
6ONU Complex structure of WhiB1 and region 4 of SigA in P21 space group. Deposited 2019-04-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain H 417–528（112 aa） Fragment：region 4 (UNP residues 417-528)	Non-standard monomer：Yes (specific site not provided by mmCIF)	SF4 IRON/SULFUR CLUSTER × 1 PEG DI(HYDROXYETHYL)ETHER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.6；291 K；100 mM Bis-Tris, pH 5.5, 200 mM magnesium chloride, 25% PEG3350	Resolution 1.85 Å R-free 0.235
8CWT Complex structure of WhiB3 and the SigmaAr4-RNAP Beta flap tip chimera in space group P43212 Deposited 2022-05-19	Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric	Chain B 446–528（83 aa） Chain D 446–528（83 aa） Chain F 446–528（83 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 3 SO4 SULFATE ION × 25 NI NICKEL (II) ION × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；10-20 mM NiCl2, 0.8-1.0 M Li2SO4	Resolution 1.35 Å R-free 0.174
8D5V WhiB6 bound to the SigmaAr4-RNAP Beta flap tip chimera Deposited 2022-06-06	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 446–528（83 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；0.1 M Na Citrate pH 5.5, 20% PEG3000	Resolution 1.80 Å R-free 0.231
8D5V WhiB6 bound to the SigmaAr4-RNAP Beta flap tip chimera Deposited 2022-06-06	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 446–528（83 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；0.1 M Na Citrate pH 5.5, 20% PEG3000	Resolution 1.80 Å R-free 0.231
8HIH Cryo-EM structure of Mycobacterium tuberculosis transcription initiation complex with transcription factor GlnR Deposited 2022-11-20	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 11 PDB declaration: tridecameric	Chain F 1–528（528 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.66 Å
9KET Cryo-EM structure of Mycobacterium tuberculosis transcription activation complex with two PhoP molecules(composite map) Deposited 2024-11-05	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 8 PDB declaration: decameric	Chain F 1–528（528 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.46 Å
9KEU Cryo-EM structure of Mycobacterium tuberculosis transcription activation complex with four PhoP molecules (composite map) Deposited 2024-11-05	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 10 PDB declaration: 12-meric	Chain F 1–528（528 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.70 Å
9KEV Cryo-EM structure of Mycobacterium tuberculosis transcription activation complex with six PhoP molecules (composite map) Deposited 2024-11-05	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 12 PDB declaration: 15-meric	Chain F 1–528（528 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.31 Å

20 other PDB entries and 25 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	SIGA_MYCTU
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 9–91； UniProt 446–528

RNA polymerase sigma factor SigA,DNA-directed RNA polymerase subunit beta

Mycobacterium tuberculosis

UniProt P9WGY9

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Insufficient information Heteromer Protein × 6 PDB declaration: hexameric（6） Consistent with protein copy count	Chain B； UniProt 815–829	Not recorded	Redox- and pH-responsive transcriptional regulator WhiB3 × 3 （P9WF41） SF4 IRON/SULFUR CLUSTER × 3 SO4 SULFATE ION × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 3 NI NICKEL (II) ION × 9	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 8；293 K；10-20 mM NiCl2, 0.8-1.0 M Li2SO4	Resolution 1.50 Å R-free 0.212

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 8CWR	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
5UH5 Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 3 nt of RNA Deposited 2017-01-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；297 K；400 ul 50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 3.75 Å R-free 0.248
5UH6 Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 2ntRNA in complex with Rifampin Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 1–1178（1178 aa）	Not recorded	RFP RIFAMPICIN × 1 ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 3.84 Å R-free 0.264
5UH8 Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 4nt RNA Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 4.18 Å R-free 0.257
5UH9 Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 2nt RNA Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；50 mM Tris-HCl, pH 8.3, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 4.40 Å R-free 0.332
5UHA Crystal structure of Mycobacterium tuberculosis transcription initiation complex Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；295 K；50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 3.91 Å R-free 0.279
5UHB Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with Rifampin Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain C 1–1178（1178 aa）	Not recorded	RFP RIFAMPICIN × 1 ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 4.29 Å R-free 0.267
5UHC Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 3nt RNA in complex with Rifampin Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 1–1178（1178 aa）	Not recorded	RFP RIFAMPICIN × 1 ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；50 mM Tris-HCl, pH 8.5, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 3.80 Å R-free 0.267
5UHD Crystal structure of Mycobacterium tuberculosis transcription initiation complex containing 4nt RNA in complex with Rifampin Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain C 1–1178（1178 aa）	Not recorded	RFP RIFAMPICIN × 1 ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 4.01 Å R-free 0.264
5UHE Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-AAP1 Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1 88G Nalpha-(benzenecarbonyl)-N-(2-methylphenyl)-D-phenylalaninamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；295 K；50 mM Tris-HCl, pH 8.3, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 4.04 Å R-free 0.259
5UHF Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-IX336 Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1 88D N-(2-methylphenyl)-Nalpha-(selenophene-2-carbonyl)-D-phenylalaninamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.4；295 K；50 mM Tris-HCl, pH 8.4, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 4.34 Å R-free 0.267
5UHG Crystal structure of Mycobacterium tuberculosis transcription initiation complex in complex with D-AAP1 and Rifampin Deposited 2017-01-11	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain C 1–1178（1178 aa）	Not recorded	RFP RIFAMPICIN × 1 ZN ZINC ION × 2 MG MAGNESIUM ION × 1 88G Nalpha-(benzenecarbonyl)-N-(2-methylphenyl)-D-phenylalaninamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.2；295 K；50 mM Tris-HCl, pH 8.2, 200 mM KCl, 50 mM MgCl2, and 10% PEG3350	Resolution 3.97 Å R-free 0.260
5ZX2 Mycobacterium tuberculosis RNA polymerase transcription initiation complex with ECF sigma factor sigma H and 7nt RNA Deposited 2018-05-17	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 7–1178（1172 aa）	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；2% Tacsimate pH 5.0, 0.1 M Sodium citrate pH5.6, 16 % PEG3350	Resolution 2.80 Å R-free 0.255
5ZX3 Mycobacterium tuberculosis RNA polymerase holoenzyme with ECF sigma factor sigma H Deposited 2018-05-17	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain C 7–1178（1172 aa）	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；295 K；0.2 M NaAc, 0.1 M sodium citrate pH5.5, 10% PEG4000	Resolution 2.75 Å R-free 0.258
6DV9 Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF sigma factor L) containing 5nt RNA with 4nt spacer Deposited 2018-06-23	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 1–1178（1178 aa）	Not recorded	MG MAGNESIUM ION × 1 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；295 K；100 mM sodium citrate tribasic dihydrate, pH 5.5, 200 mM sodium acetate, and 10% PEG4000	Resolution 3.80 Å R-free 0.232
6DVB Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF sigma factor L) containing 5nt RNA with 5nt spacer Deposited 2018-06-23	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.7；295 K；100 mM sodium citrate tribasic dihydrate, pH 5.7, 200 mM sodium acetate, and 10% PEG4000	Resolution 3.80 Å R-free 0.241
6DVC Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF sigma factor L) containing 5nt RNA with 6nt spacer Deposited 2018-06-23	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；295 K；100 mM sodium citrate tribasic dihydrate, pH 6.0, 200 mM sodium acetate, and 10% PEG4000	Resolution 3.30 Å R-free 0.235
6DVD Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF sigma factor L) with 6 nt spacer and bromine labelled in position "-11 Deposited 2018-06-23	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.2；295 K；100 mM sodium citrate tribasic dihydrate, pH 6.2, 200 mM sodium acetate, and 10% PEG4000	Resolution 3.90 Å R-free 0.246
6DVE Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF selenomethionine-labelled sigma factor L) with 6 nt spacer Deposited 2018-06-23	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；295 K；100 mM sodium citrate tribasic dihydrate, pH 5.5, 200 mM sodium acetate, and 10% PEG4000	Resolution 3.81 Å R-free 0.248
6FBV Single particle cryo em structure of Mycobacterium tuberculosis RNA polymerase in complex with Fidaxomicin Deposited 2017-12-19	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1 FI8 Fidaxomicin × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8；3.5 microliter 1 microM Mtb RNAP-Lpm and 50 microMolar Lpm in 20 mM Tris-HCl, pH 8.0, 75 mM NaCl, 5 mM MgCl2, 5 mM dithiothreitol, and 0.1% n-octyl-beta-D-glucopyranoside cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.52 Å R-free 0.331
6JCX Mycobacterium tuberculosis transcription initiation complex with ECF sigma factor sigma H and 6nt RNA Deposited 2019-01-30	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 7–1178（1172 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.08M Magnesium acetate, 0.05M sodium cacodylate pH 6.5, 15% PEG 400	Resolution 2.90 Å R-free 0.256
6JCY Mycobacterium tuberculosis RNA polymerase transcription initiation open complex with a chimeric ECF sigma factor sigH/E Deposited 2019-01-30	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 7–1178（1172 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.2M sodium acetate, 0.1M sodium citrate pH 5.5, 10% PEG4000	Resolution 3.11 Å R-free 0.238
6KON Mycobacterium tuberculosis initial transcription complex comprising sigma H and 5'-OH RNA of 5 nt Deposited 2019-08-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 7–1178（1172 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.08 M Magnesium acetate, 0.05 M sodium cacodylate pH 6.5, 10% PEG 400	Resolution 3.00 Å R-free 0.271
6KOO Mycobacterium tuberculosis initial transcription complex comprising sigma H and 5'-OH RNA of 7 nt Deposited 2019-08-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 7–1178（1172 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.08 M Magnesium acetate, 0.05 M sodium cacodylate pH 6.5, 15% PEG 400	Resolution 2.80 Å R-free 0.248
6KOP Mycobacterium tuberculosis initial transcription complex comprising sigma H and 5'-OH RNA of 9 nt Deposited 2019-08-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 7–1178（1172 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.008 M magnesium acetate, 0.05 M sodium cacodylate pH6.5, 14% PEG 400	Resolution 3.30 Å R-free 0.255
6KOQ Mycobacterium tuberculosis initial transcription complex comprising sigma H and 5'-OH RNA of 10 nt Deposited 2019-08-12	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 7–1178（1172 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；295 K；0.08 M magnesium acetate, 0.05 M sodium cacodylated pH 6.5, 15% PEG 400	Resolution 3.35 Å R-free 0.260
7PP4 Cryo-EM structure of Mycobacterium tuberculosis RNA polymerase holoenzyme comprising sigma factor SigB Deposited 2021-09-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain c 6–1178（1173 aa）	Mutation：L2E3G4C5 -> V	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.84 Å
7Q4U Cryo-EM structure of Mycobacterium tuberculosis RNA polymerase holoenzyme octamer comprising sigma factor SigB Deposited 2021-11-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 48 PDB declaration: 48-meric	Chain BA 6–1178（1173 aa） Chain C 6–1178（1173 aa） Chain HA 6–1178（1173 aa） Chain I 6–1178（1173 aa） Chain NA 6–1178（1173 aa） Chain O 6–1178（1173 aa） Chain TA 6–1178（1173 aa） Chain V 6–1178（1173 aa）	Mutation：L2E3G4C5 -> V Mutation：L2E3G4C5 -> V Mutation：L2E3G4C5 -> V Mutation：L2E3G4C5 -> V Mutation：L2E3G4C5 -> V Mutation：L2E3G4C5 -> V Mutation：L2E3G4C5 -> V Mutation：L2E3G4C5 -> V	ZN ZINC ION × 16 MG MAGNESIUM ION × 8	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.39 Å
7Q59 Cryo-EM structure of Mycobacterium tuberculosis RNA polymerase holoenzyme dimer comprising sigma factor SigB Deposited 2021-11-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 12 PDB declaration: dodecameric	Chain C 6–1178（1173 aa） Chain c 6–1178（1173 aa）	Mutation：L2E3G4C5 -> V Mutation：L2E3G4C5 -> V	ZN ZINC ION × 4 MG MAGNESIUM ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.36 Å
7Z8Q Cryo-EM structure of Mycobacterium tuberculosis RNA polymerase core Deposited 2022-03-18	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain c 6–1178（1173 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.08 Å
8CWT Complex structure of WhiB3 and the SigmaAr4-RNAP Beta flap tip chimera in space group P43212 Deposited 2022-05-19	Different construct Different mutation/modification Different ligand/ion Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric	Chain B 815–829（15 aa） Chain D 815–829（15 aa） Chain F 815–829（15 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 3 SO4 SULFATE ION × 25 NI NICKEL (II) ION × 7 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；10-20 mM NiCl2, 0.8-1.0 M Li2SO4	Resolution 1.35 Å R-free 0.174
8D5V WhiB6 bound to the SigmaAr4-RNAP Beta flap tip chimera Deposited 2022-06-06	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 815–829（15 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；0.1 M Na Citrate pH 5.5, 20% PEG3000	Resolution 1.80 Å R-free 0.231
8D5V WhiB6 bound to the SigmaAr4-RNAP Beta flap tip chimera Deposited 2022-06-06	Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 815–829（15 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；0.1 M Na Citrate pH 5.5, 20% PEG3000	Resolution 1.80 Å R-free 0.231
8EHQ Mycobacterium tuberculosis paused transcription complex with Bacillus subtilis NusG Deposited 2022-09-14	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 1–1178（1178 aa）	Not recorded	MG MAGNESIUM ION × 1 ZN ZINC ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE；Blot for 4-5 seconds before plunging in liquid ethane	Resolution 3.00 Å
8EJ3 M. tuberculosis RNAP pause escaped complex with Bacillus subtilis NusG and GMPCPP Deposited 2022-09-16	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 1–1178（1178 aa）	Not recorded	G2P PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1 MG MAGNESIUM ION × 2 ZN ZINC ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE；Blot for 4-5 seconds before plunging in liquid ethane	Resolution 3.13 Å
8EOE Mycobacterium tuberculosis transcription elongation complex with Bacillus subtilis NusG (EC_LG) Deposited 2022-10-03	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 1–1178（1178 aa）	Not recorded	MG MAGNESIUM ION × 1 ZN ZINC ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE；Blot for 4-5 seconds before plunging in liquid ethane	Resolution 3.20 Å
8EOF Mycobacterium tuberculosis transcription elongation complex with Bacillus subtilis NusG (EC_PG) Deposited 2022-10-03	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 1–1178（1178 aa）	Not recorded	MG MAGNESIUM ION × 1 ZN ZINC ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE；Blot for 4-5 seconds before plunging in liquid ethane	Resolution 3.30 Å
8EOS M. tuberculosis RNAP elongation complex with NusG and CMPCPP Deposited 2022-10-04	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 1–1178（1178 aa）	Not recorded	2TM 5'-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]cytidine × 1 MG MAGNESIUM ION × 2 ZN ZINC ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE；Blot for 4-5 seconds before plunging in liquid ethane	Resolution 3.10 Å
8EOT M. tuberculosis RNAP elongation complex with NusG Deposited 2022-10-04	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 1–1178（1178 aa）	Not recorded	MG MAGNESIUM ION × 1 ZN ZINC ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE；Blot for 4-5 seconds before plunging in liquid ethane	Resolution 3.30 Å
8EXY M. tuberculosis RNAP paused complex with B. subtilis NusG and GMPCPP Deposited 2022-10-26	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: nonameric	Chain C 1–1178（1178 aa）	Not recorded	MG MAGNESIUM ION × 1 ZN ZINC ION × 2 G2P PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE；Blot for 4-5 seconds before plunging in liquid ethane	Resolution 3.20 Å
8HIH Cryo-EM structure of Mycobacterium tuberculosis transcription initiation complex with transcription factor GlnR Deposited 2022-11-20	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 11 PDB declaration: tridecameric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.66 Å
9FJP Cryo-EM structure of Mycobacterium tuberculosis sigma-B RNA polymerase bound to -10 promoter element ssDNA oligo Deposited 2024-05-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: heptameric	Chain c 6–1178（1173 aa）	Mutation：L2E3G4C5I6 -> V	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9；8 mM CHAPSO added before vitrificaion cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.20 Å
9FJR Cryo-EM structure of Mycobacterium tuberculosis sigma-B RNA polymerase bound to -10 promoter element ssDNA oligo - sigma-B docked conformation Deposited 2024-05-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: heptameric	Chain c 6–1178（1173 aa）	Mutation：L2E3G4C5I6 -> V	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9；8 mM CHAPSO added before vitrificaion cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.43 Å
9FJS Cryo-EM structure of Mycobacterium tuberculosis sigma-B RNA polymerase bound to -10 promoter element ssDNA oligo - sigma-B undocked conformation Deposited 2024-05-31	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: heptameric	Chain c 6–1178（1173 aa）	Mutation：L2E3G4C5I6 -> V	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9；8 mM CHAPSO added before vitrificaion cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.48 Å
9JI2 Cryo-EM structure of Mycobacterium tuberculosis transcription activation complex with unphosphated PhoP Deposited 2024-09-11	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 6 PDB declaration: octameric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.38 Å
9JI3 Cryo-EM structure of Mycobacterium tuberculosis transcription activation complex with two PhoP molecules Deposited 2024-09-11	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 8 PDB declaration: decameric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.36 Å
9JI4 Cryo-EM structure of Mycobacterium tuberculosis transcription activation complex with four PhoP molecules Deposited 2024-09-11	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 10 PDB declaration: 12-meric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.54 Å
9JI5 Cryo-EM structure of Mycobacterium tuberculosis transcription activation complex with six PhoP molecules Deposited 2024-09-11	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 13 PDB declaration: 15-meric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.20 Å
9KET Cryo-EM structure of Mycobacterium tuberculosis transcription activation complex with two PhoP molecules(composite map) Deposited 2024-11-05	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 8 PDB declaration: decameric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.46 Å
9KEU Cryo-EM structure of Mycobacterium tuberculosis transcription activation complex with four PhoP molecules (composite map) Deposited 2024-11-05	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 10 PDB declaration: 12-meric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.70 Å
9KEV Cryo-EM structure of Mycobacterium tuberculosis transcription activation complex with six PhoP molecules (composite map) Deposited 2024-11-05	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 12 PDB declaration: 15-meric	Chain C 1–1178（1178 aa）	Not recorded	ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.9 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.31 Å
9M98 Structural Basis of Pausing During Transcription Initiation in Mycobacterium tuberculosis Deposited 2025-03-13	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 7 PDB declaration: decameric	Chain C 7–1178（1172 aa）	Not recorded	MG MAGNESIUM ION × 1 ZN ZINC ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.47 Å
9M9D Structural Basis of Pausing During Transcription Initiation in Mycobacterium tuberculosis Deposited 2025-03-13	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 7 PDB declaration: decameric	Chain C 1–1178（1178 aa）	Not recorded	MG MAGNESIUM ION × 1 ZN ZINC ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.29 Å
9M9E Structural Basis of Pausing During Transcription Initiation in Mycobacterium tuberculosis Deposited 2025-03-13	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 7 PDB declaration: decameric	Chain C 1–1178（1178 aa）	Not recorded	MG MAGNESIUM ION × 1 ZN ZINC ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.31 Å
9MRQ Mycobacterium tuberculosis RNA polymerase elongation complex bound to inhibitor N-aroyl-N-aryl-phenylalanine amide (AAP)-SO2 Deposited 2025-01-08	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 5 PDB declaration: octameric	Chain C 1–1178（1178 aa）	Not recorded	A1BNV N-[2-(1,1-dioxo-1lambda~6~-thiomorpholin-4-yl)phenyl]-Nalpha-(2-fluorobenzoyl)-D-phenylalaninamide × 1 ZN ZINC ION × 2 MG MAGNESIUM ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.97 Å

53 other PDB entries and 54 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	RPOB_MYCTU
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 98–112； UniProt 815–829

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

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	8cwr
Deposition date deposition_date	2022-05-19
Structure title title	Complex structure of WhiB3 and the SigmaAr4-RNAP Beta flap tip chimera in space group R3
Keywords keywords	redox sensor, transcriptional factor, TRANSCRIPTION; TRANSCRIPTION
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	19.44 Å
Radius of gyration Rg (electron density) rg_electron	18.56 Å
Forward intensity I(0) i0	11498800.00
Molecular weight molecular_weight	22777.0 kDa
Excluded volume excluded_volume	27451 Å³
Envelope volume envelope_volume	34496 Å³
Hydration-shell volume shell_volume	16192 Å³
Envelope diameter envelope_diameter	66.7 Å
Shell Rg shell_rg	24.26 Å
Envelope Rg envelope_rg	18.95 Å
Shape Rg shape_rg	18.54 Å
Total Rg total_rg	19.44 Å
Total atoms total_atoms	1570
Residues n_residues	194
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	66.8 Å
Rg (real space) rg_real	19.41 Å
Rg uncertainty (real space) rg_real_error	0.50 Å
I(0) (real space) i0_real	1.1500e+07
I(0) uncertainty (real space) i0_real_error	1.5030e+05
Rg (reciprocal space) rg_reciprocal	19.41 Å
I(0) (reciprocal space) i0_reciprocal	11500000.0000
Solution quality estimate total_estimate	0.8766
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	24.4 Å
Skewness Skewness skewness	0.276
Kurtosis Kurtosis kurtosis	-0.337
Angular range angular_range	— – 0.4100 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	1462000.0000
Real-space data points n_real_points	72
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.832; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.936; Smooth: 0.958

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (7)

Entity 1 Entity 1 polymer

Description description	Redox- and pH-responsive transcriptional regulator WhiB3
Molecular weight formula_weight	10268.6 kDa
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	1689

MPQPEQLPGPNADIWNWQLQGLCRGMDSSMFFHPDGERGRARTQREQRAKEMCRRCPVIEACRSHALEVGEPYGVWGGLSESERDLLLKG

来源 Source

来源生物 organism	Mycobacterium tuberculosis
NCBI Class编号 ncbi_taxonomy_id	83332
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	RNA polymerase sigma factor SigA,DNA-directed RNA polymerase subunit beta
Molecular weight formula_weight	12650.2 kDa
EC 编号 ec_number	2.7.7.6
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

MAHHHHHHVAVDAVSFTLLQDQLQSVLDTLSEREAGVVRLRFGLTDGQPRTLDEIGQVYGVTRERIRQIESKTMSKLRHPSRSQVLRDYLDGSSGSGTPEERLLRAIFGEKA

来源 Source

来源生物 organism	Mycobacterium tuberculosis
NCBI Class编号 ncbi_taxonomy_id	83332
宿主生物 host_organism	Escherichia coli

Entity 3 Entity 3 non-polymer

Description description	IRON/SULFUR CLUSTER
Molecular weight formula_weight	351.6 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 5 Entity 5 non-polymer

Description description	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Molecular weight formula_weight	122.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 6 Entity 6 non-polymer

Description description	NICKEL (II) ION
Molecular weight formula_weight	58.7 kDa
Source method src_method	syn
Copy count entity_count	3

Entity 7 Entity 7 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	105

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7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

Domain ID domain_id	8cwrB01
Class class	1 — Mainly Alpha
Architecture architecture	10 — Orthogonal Bundle
Topology topology	10 — Arc Repressor Mutant, subunit A
Homologous superfamily homologous superfamily	10 — Winged helix-like DNA-binding domain superfamily/Winged helix DNA-binding domain

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8. Citations (1)

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Unit-cell length a length_a	120.809 Å
Unit-cell length b length_b	120.809 Å
Unit-cell length c length_c	31.758 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	9

Space group space_group	H 3
Space-group number int_tables_number	146
Crystal system crystal_system	trigonal

Resolution resolution	1.500 Å
Low-resolution limit resolution_low	34.870 Å
R factor r_factor	0.1843
R_work r_work	0.1828
R_free r_free	0.2122

fit	/app/data/saxs_computation/cw/8cwr/8cwr.fit
pddf	/app/data/pr_computation/cw/8cwr/8cwr.pr.out
profile	/app/data/saxs_computation/cw/8cwr/8cwr.dat

Complex structure of WhiB3 and the SigmaAr4-RNAP Beta flap tip chimera in space group R3

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

Redox- and pH-responsive transcriptional regulator WhiB3

State in the Current Structure

Other States of the Same Protein in the Database

RNA polymerase sigma factor SigA,DNA-directed RNA polymerase subunit beta

State in the Current Structure

Other States of the Same Protein in the Database

RNA polymerase sigma factor SigA,DNA-directed RNA polymerase subunit beta

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

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

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

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (7)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

Entity 6 Entity 6 non-polymer

Entity 7 Entity 7 water

7. Fold Classification (SCOP + CATH) 1 domains

CATH v4.4 (1 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)