SAXSdb — 6onu

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

Transcriptional regulator WhiB1

Mycobacterium tuberculosis H37Rv

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 1–76	Fragment：UNP residues 1-76 Non-standard monomer：Yes (specific site not provided by mmCIF)	RNA polymerase sigma factor SigA × 1 （P9WGI1） 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
2	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain C； UniProt 1–76	Fragment：UNP residues 1-76 Non-standard monomer：Yes (specific site not provided by mmCIF)	RNA polymerase sigma factor SigA × 1 （P9WGI1） 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
3	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain E； UniProt 1–76	Fragment：UNP residues 1-76 Non-standard monomer：Yes (specific site not provided by mmCIF)	RNA polymerase sigma factor SigA × 1 （P9WGI1） 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
4	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain G； UniProt 1–76	Fragment：UNP residues 1-76 Non-standard monomer：Yes (specific site not provided by mmCIF)	RNA polymerase sigma factor SigA × 1 （P9WGI1） 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

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 6ONU	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
5OAY M. tuberculosis [4Fe-4S] protein WhiB1 is a four-helix bundle that forms a NO-sensitive complex with sigmaA and regulates the major virulence factor ESX-1 Deposited 2017-06-25	Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–84（84 aa）	Not recorded	SF4 IRON/SULFUR CLUSTER × 1	SOLUTION NMR NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 300；Pressure 1 NMR sample composition 25 mM sodium phosphate, 250 mM sodium chloride, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
6ONO Complex structure of WhiB1 and region 4 of SigA in C2221 space group Deposited 2019-04-22	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–76（76 aa） Fragment：UNP residues 1-76	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 experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 1–76（76 aa） Fragment：UNP residues 1-76	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

2 other PDB entries and 3 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	WHIB1_MYCTU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–76； UniProt 1–76 Author chain C； PDBConstruct 1–76； UniProt 1–76 Author chain E； PDBConstruct 1–76； UniProt 1–76 Author chain G； PDBConstruct 1–76； UniProt 1–76

RNA polymerase sigma factor SigA

Mycobacterium tuberculosis H37Rv

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	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 417–528	Fragment：region 4 (UNP residues 417-528) Non-standard monomer：Yes (specific site not provided by mmCIF)	Transcriptional regulator WhiB1 × 1 （P9WF43） 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
2	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain D； UniProt 417–528	Fragment：region 4 (UNP residues 417-528) Non-standard monomer：Yes (specific site not provided by mmCIF)	Transcriptional regulator WhiB1 × 1 （P9WF43） 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
3	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain F； UniProt 417–528	Fragment：region 4 (UNP residues 417-528) Non-standard monomer：Yes (specific site not provided by mmCIF)	Transcriptional regulator WhiB1 × 1 （P9WF43） 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
4	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain H； UniProt 417–528	Fragment：region 4 (UNP residues 417-528) Non-standard monomer：Yes (specific site not provided by mmCIF)	Transcriptional regulator WhiB1 × 1 （P9WF43） 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

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 6ONU	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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 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 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 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 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
8CWR Complex structure of WhiB3 and the SigmaAr4-RNAP Beta flap tip chimera in space group R3 Deposited 2022-05-19	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric	Chain B 446–528（83 aa）	Not recorded	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
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 oligomeric state Different ligand/ion Different experimental conditions 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 construct Different mutation/modification Different oligomeric state 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 construct Different mutation/modification Different oligomeric state 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 mutation/modification 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 22 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 9–120； UniProt 417–528 Author chain D； PDBConstruct 9–120； UniProt 417–528 Author chain F； PDBConstruct 9–120； UniProt 417–528 Author chain H； PDBConstruct 9–120； UniProt 417–528

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.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	6onu
Deposition date deposition_date	2019-04-22
Structure title title	Complex structure of WhiB1 and region 4 of SigA in P21 space group.
Keywords keywords	Iron-sulfur cluster, transcription regulation, redox-sensing, 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	29.07 Å
Radius of gyration Rg (electron density) rg_electron	28.45 Å
Forward intensity I(0) i0	81793900.00
Molecular weight molecular_weight	65039.0 kDa
Excluded volume excluded_volume	78787 Å³
Envelope volume envelope_volume	104050 Å³
Hydration-shell volume shell_volume	31078 Å³
Envelope diameter envelope_diameter	98.3 Å
Shell Rg shell_rg	35.21 Å
Envelope Rg envelope_rg	28.53 Å
Shape Rg shape_rg	28.46 Å
Total Rg total_rg	29.06 Å
Total atoms total_atoms	4465
Residues n_residues	553
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	95.2 Å
Rg (real space) rg_real	29.00 Å
Rg uncertainty (real space) rg_real_error	0.83 Å
I(0) (real space) i0_real	8.1790e+07
I(0) uncertainty (real space) i0_real_error	1.2940e+06
Rg (reciprocal space) rg_reciprocal	29.04 Å
I(0) (reciprocal space) i0_reciprocal	81800000.0000
Solution quality estimate total_estimate	0.9006
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	38.1 Å
Skewness Skewness skewness	0.199
Kurtosis Kurtosis kurtosis	-0.455
Angular range angular_range	— – 0.2750 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	6334000.0000
Real-space data points n_real_points	56
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.912; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.984; Smooth: 0.986

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	Transcriptional regulator WhiB1
Molecular weight formula_weight	8553.3 kDa
Source method src_method	man
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,C,E,G
Atom count atom_count	4821

MDWRHKAVCRDEDPELFFPVGNSGPALAQIADAKLVCNRCPVTTECLSWALNTGQDSGVWGGMSEDERRALKRRNA

来源 Source

来源生物 organism	Mycobacterium tuberculosis H37Rv
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
Molecular weight formula_weight	13686.9 kDa
Source method src_method	man
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B,D,F,H

MAHHHHHHAREPISLDQTIGDEGDSQLGDFIEDSEAVVAVDAVSFTLLQDQLQSVLDTLSEREAGVVRLRFGLTDGQPRTLDEIGQVYGVTRERIRQIESKTMSKLRHPSRSQVLRDYLD

来源 Source

来源生物 organism	Mycobacterium tuberculosis H37Rv
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	4

Entity 4 Entity 4 non-polymer

Description description	DI(HYDROXYETHYL)ETHER
Molecular weight formula_weight	106.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	307

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (4 domains)

Domain ID domain_id	d6onub_
Class class	a — All alpha proteins
Fold Fold fold	a.4 — DNA/RNA-binding 3-helical bundle
Superfamily Superfamily superfamily	a.4.13 — Sigma3 and sigma4 domains of RNA polymerase sigma factors
Family Family family	a.4.13.0 — automated matches

Domain ID domain_id	d6onud_
Class class	a — All alpha proteins
Fold Fold fold	a.4 — DNA/RNA-binding 3-helical bundle
Superfamily Superfamily superfamily	a.4.13 — Sigma3 and sigma4 domains of RNA polymerase sigma factors
Family Family family	a.4.13.0 — automated matches

Domain ID domain_id	d6onuf_
Class class	a — All alpha proteins
Fold Fold fold	a.4 — DNA/RNA-binding 3-helical bundle
Superfamily Superfamily superfamily	a.4.13 — Sigma3 and sigma4 domains of RNA polymerase sigma factors
Family Family family	a.4.13.0 — automated matches

Domain ID domain_id	d6onuh_
Class class	a — All alpha proteins
Fold Fold fold	a.4 — DNA/RNA-binding 3-helical bundle
Superfamily Superfamily superfamily	a.4.13 — Sigma3 and sigma4 domains of RNA polymerase sigma factors
Family Family family	a.4.13.0 — automated matches

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8. Citations (1)

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Unit-cell length a length_a	37.803 Å
Unit-cell length b length_b	144.439 Å
Unit-cell length c length_c	59.890 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	106.76 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	monoclinic

Resolution resolution	1.850 Å
Low-resolution limit resolution_low	36.870 Å
R factor r_factor	0.1964
R_work r_work	0.1942
R_free r_free	0.2354

fit	/app/data/saxs_computation/on/6onu/6onu.fit
pddf	/app/data/pr_computation/on/6onu/6onu.pr.out
profile	/app/data/saxs_computation/on/6onu/6onu.dat

Complex structure of WhiB1 and region 4 of SigA in P21 space group.

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

Transcriptional regulator WhiB1

State in the Current Structure

Other States of the Same Protein in the Database

RNA polymerase sigma factor SigA

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 (5)

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 water

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (4 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)