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1b3q

CRYSTAL STRUCTURE OF CHEA-289, A SIGNAL TRANSDUCING HISTIDINE KINASE

Method: X-RAY DIFFRACTION Dmax: 122.1 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

PROTEIN (CHEMOTAXIS PROTEIN CHEA)

Thermotoga maritima

UniProt Q56310

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 293–671 Chain B； UniProt 293–671 Fragment：DIMERIZATION DOMAIN, KINASE DOMAIN AND REGULATORY DOMAIN Mutation：Q545C, I521M, S522G HG MERCURY (II) ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions：pH 5.5；80MM SUCCINATE, PH 5.5, 20% MPD, 5% ISOPROPANOL, 4% PEG 8000 Resolution 2.60 Å R-free 0.285

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 1B3Q Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1I58 STRUCTURE OF THE HISTIDINE KINASE CHEA ATP-BINDING DOMAIN IN COMPLEX WITH ATP ANALOG ADPCP AND MAGNESIUM Deposited 2001-02-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 352–540（189 aa） Fragment：DOMAIN P4
Chain B 352–540（189 aa） Fragment：DOMAIN P4
Mutation：R354H, I353S, K352G Mutation：R354H, I353S, K352G ACT ACETATE ION × 2 MG MAGNESIUM ION × 1 ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；PEG 8000 33-36% Ammonium acetate 0.8 M sodium acetate 0.085 M pH 4.5. VAPOR DIFFUSION, HANGING DROP at 293 K
Resolution 1.60 Å R-free 0.262
1I59 STRUCTURE OF THE HISTIDINE KINASE CHEA ATP-BINDING DOMAIN IN COMPLEX WITH ADPNP AND MAGENSIUM Deposited 2001-02-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 352–540（189 aa） Fragment：DOMAIN P4
Chain B 352–540（189 aa） Fragment：DOMAIN P4
Mutation：R354H, I353S, K352G Mutation：R354H, I353S, K352G ACT ACETATE ION × 1 MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；PEG 8000 33-36% Ammonium acetate 0.8 M sodium acetate 0.085 M pH 4.5. VAPOR DIFFUSION, HANGING DROP at 293 K
Resolution 1.80 Å R-free 0.253
1I5A STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH ADPCP AND MANGANESE Deposited 2001-02-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 352–540（189 aa） Fragment：DOMAIN P4
Chain B 352–540（189 aa） Fragment：DOMAIN P4
Mutation：R354H, I353S, K352G Mutation：R354H, I353S, K352G MN MANGANESE (II) ION × 2 ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；PEG 8000 33-36% Ammonium acetate 0.8 M sodium acetate 0.085 M pH 4.5. VAPOR DIFFUSION, HANGING DROP at 293 K
Resolution 1.90 Å R-free 0.253
1I5B STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH ADPNP AND MANGANESE Deposited 2001-02-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 352–540（189 aa） Fragment：DOMAIN P4
Chain B 352–540（189 aa） Fragment：DOMAIN P4
Mutation：R354H, I353S, K352G Mutation：R354H, I353S, K352G ACT ACETATE ION × 1 MN MANGANESE (II) ION × 2 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；PEG 8000 33-36% Ammonium acetate 0.8 M sodium acetate 0.085 M pH 4.5. VAPOR DIFFUSION, HANGING DROP at 293 K
Resolution 1.94 Å R-free 0.265
1I5C STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH ADP Deposited 2001-02-26 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 352–540（189 aa） Fragment：DOMAIN P4
Chain B 352–540（189 aa） Fragment：DOMAIN P4
Mutation：R354H, I353S, K352G Mutation：R354H, I353S, K352G ADP ADENOSINE-5'-DIPHOSPHATE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；PEG 8000 33-36% Ammonium acetate 0.8 M sodium acetate 0.085 M pH 5.0. VAPOR DIFFUSION, HANGING DROP at 293 K
Resolution 1.90 Å R-free 0.261
1I5D STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH TNP-ATP Deposited 2001-02-26 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 350–540（191 aa） Fragment：DOMAIN P4
Not recorded SO4 SULFATE ION × 2 128 SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.7；298 K；sodium acetate 0.1 M Ammonium sulfate 1.9 M, pH 4.7. VAPOR DIFFUSION, HANGING DROP at 298 K
Resolution 2.90 Å R-free 0.312
1TQG CheA phosphotransferase domain from Thermotoga maritima Deposited 2004-06-17 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–104（101 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；28% PEG 8K, 0.1M NaOAc pH=4.5, and 0.2M NH4OAc, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 0.98 Å R-free 0.211
1U0S Chemotaxis kinase CheA P2 domain in complex with response regulator CheY from the thermophile thermotoga maritima Deposited 2004-07-14 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 A 175–260（86 aa） Fragment：CheA histidine kinase P2 domain
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；25-30% PEG 12K, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 1.90 Å R-free 0.253
2CH4 Complex between Bacterial Chemotaxis histidine kinase CheA domains P4 and P5 and receptor-adaptor protein CheW Deposited 2006-03-10 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 A 355–671（317 aa） Fragment：CHEA KINASE AND REGULATORY DOMAINS, RESIDUES 355-671
Not recorded ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions PEG 4K 3-5%,NA ACETATE 0.1M PH 4.5,ADPNP 1MM
Resolution 3.50 Å R-free 0.295
2CH4 Complex between Bacterial Chemotaxis histidine kinase CheA domains P4 and P5 and receptor-adaptor protein CheW Deposited 2006-03-10 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 B 355–671（317 aa） Fragment：CHEA KINASE AND REGULATORY DOMAINS, RESIDUES 355-671
Not recorded ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions PEG 4K 3-5%,NA ACETATE 0.1M PH 4.5,ADPNP 1MM
Resolution 3.50 Å R-free 0.295
2LD6 Solution Structure of Histidine Phosphotransfer Domain of CheA Deposited 2011-05-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–131（131 aa） Fragment：HPt domain residues 1-131
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 0.05；Pressure ambient
NMR sample composition 1 mM [U-99% 13C; U-99% 15N] P1, 90 % H2O/10 % [U-99% 2H] D2O | 90% H2O/10% D2O
Resolution not provided
3UR1 The structure of a ternary complex between CheA domains P4 and P5 with CheW and with a truncated fragment of TM14, a chemoreceptor analog from Thermotoga maritima. Deposited 2011-11-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 355–671（317 aa） Fragment：unp residues 355-671
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 8.5；293 K；0.2 M sodium acetate trihydrate, 0.1 M Tris, 15% w/v Polyethylene glycol 4,000, pH 8.5, EVAPORATION, temperature 293K
Resolution 4.50 Å R-free 0.291
4JPB The structure of a ternary complex between CheA domains P4 and P5 with CheW and with an unzipped fragment of TM14, a chemoreceptor analog from Thermotoga maritima. Deposited 2013-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain A 355–671（317 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；Cubic shaped crystals (50x50x50 um3) were grown from a mixture of 520 uM Tm14s, 457 uM CheA 354 and 121 uM CheW after 1 month by vapor diffusion from a 2 ul drop (1:1 mixture of protein and reservoir: 500 ul reservoir of 0.2 M sodium acetate trihydrate, 0.1 M Tris (pH 8.5), 15% w/v polyethylene glycol 4,000), VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.19 Å R-free 0.220
4XIV Kinase and Dimerization (P3P4) of the Thermotoga maritima CheA kinase Deposited 2015-01-07 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 289–540（252 aa） Fragment：UNP residues 289-540
Chain B 289–540（252 aa） Fragment：UNP residues 289-540
Not recorded ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；277 K；0.5 M Ammonium sulfate, 0.1 M Sodium citrate (pH 5.6), 1 M Lithium sulfate monohydrate
Resolution 3.00 Å R-free 0.282
6MI6 STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH AN ADP ANALOG Deposited 2018-09-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 353–539（187 aa）
Not recorded SO4 SULFATE ION × 2 JSJ 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；290 K；50 mM Citrate pH 5.5, 2 M Ammonium Sulfate
Resolution 2.95 Å R-free 0.298
6MI6 STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH AN ADP ANALOG Deposited 2018-09-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 353–539（187 aa）
Not recorded JSJ 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl]disulfanyl}phosphoryl]oxy}phosphoryl]adenosine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；290 K；50 mM Citrate pH 5.5, 2 M Ammonium Sulfate
Resolution 2.95 Å R-free 0.298
6MI6 STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH AN ADP ANALOG Deposited 2018-09-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 353–539（187 aa）
Not recorded SO4 SULFATE ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；290 K；50 mM Citrate pH 5.5, 2 M Ammonium Sulfate
Resolution 2.95 Å R-free 0.298
6MI6 STRUCTURE OF CHEA DOMAIN P4 IN COMPLEX WITH AN ADP ANALOG Deposited 2018-09-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 353–539（187 aa）
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；290 K；50 mM Citrate pH 5.5, 2 M Ammonium Sulfate
Resolution 2.95 Å R-free 0.298
8OYQ Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK13 Deposited 2023-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 355–540（186 aa）
Not recorded W6T quinazolin-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；294.15 K；PEG 8000 30% Ammonium acetate 0.6 M Sodium acetate 0.065 M ph 4.5
Resolution 1.80 Å R-free 0.226
8OYQ Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK13 Deposited 2023-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 355–540（186 aa）
Not recorded W6T quinazolin-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；294.15 K；PEG 8000 30% Ammonium acetate 0.6 M Sodium acetate 0.065 M ph 4.5
Resolution 1.80 Å R-free 0.226
8OYZ Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK10 Deposited 2023-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 355–540（186 aa）
Not recorded WXC 2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；294.15 K；PEG 8000 30% Ammonium acetate 0.6 M Sodium acetate 0.065 M ph 4.5
Resolution 1.85 Å R-free 0.242
8OYZ Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK10 Deposited 2023-05-05 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 355–540（186 aa）
Chain B 355–540（186 aa）
Not recorded WXC 2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；294.15 K；PEG 8000 30% Ammonium acetate 0.6 M Sodium acetate 0.065 M ph 4.5
Resolution 1.85 Å R-free 0.242
8OYZ Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK10 Deposited 2023-05-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 355–540（186 aa）
Not recorded WXC 2-azanyl-7,8-dihydro-6~{H}-quinazolin-5-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；294.15 K；PEG 8000 30% Ammonium acetate 0.6 M Sodium acetate 0.065 M ph 4.5
Resolution 1.85 Å R-free 0.242
8OZ9 Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-383 Deposited 2023-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 355–540（186 aa）
Not recorded W6E 7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；294.15 K；PEG 8000 30% Ammonium acetate 0.6 M Sodium acetate 0.065 M ph 4.5
Resolution 1.40 Å R-free 0.193
8OZ9 Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-383 Deposited 2023-05-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 355–540（186 aa）
Not recorded W6E 7-(1~{H}-1,2,3-triazol-5-yl)quinazolin-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；294.15 K；PEG 8000 30% Ammonium acetate 0.6 M Sodium acetate 0.065 M ph 4.5
Resolution 1.40 Å R-free 0.193
8P3N Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK8 Deposited 2023-05-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 355–540（186 aa）
Chain B 355–540（186 aa）
Not recorded ADZ 9-METHYL-9H-PURIN-6-AMINE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；294.15 K；PEG 8000 30% Ammonium acetate 0.6 M Sodium acetate 0.065 M ph 4.5
Resolution 2.00 Å R-free 0.243
8P3R Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK4 Deposited 2023-05-18 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 355–540（186 aa）
Chain B 355–540（186 aa）
Not recorded WUT 9~{H}-purine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；294.15 K；PEG 8000 30% Ammonium acetate 0.6 M Sodium acetate 0.065 M ph 4.5
Resolution 1.90 Å R-free 0.229
8P59 Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-333 Deposited 2023-05-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 355–540（186 aa）
Not recorded WZF 7-(2-phenylethoxy)quinazolin-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；294.15 K；PEG 8000 30% Ammonium acetate 0.6 M Sodium acetate 0.065 M ph 4.5
Resolution 1.80 Å R-free 0.230
8P59 Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound QUI-SV-333 Deposited 2023-05-23 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 355–540（186 aa）
Not recorded WZF 7-(2-phenylethoxy)quinazolin-2-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；294.15 K；PEG 8000 30% Ammonium acetate 0.6 M Sodium acetate 0.065 M ph 4.5
Resolution 1.80 Å R-free 0.230
8PF2 Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK16 Deposited 2023-06-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 355–540（186 aa）
Not recorded RCO RESORCINOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；294.15 K；PEG 8000 30% Ammonium acetate 0.6 M Sodium acetate 0.065 M ph 4.5
Resolution 2.10 Å R-free 0.245
8PF2 Structure of the Histidine Kinase CheA ATP-Binding domain in complex with compound ODDHK16 Deposited 2023-06-15 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 355–540（186 aa）
Not recorded RCO RESORCINOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；294.15 K；PEG 8000 30% Ammonium acetate 0.6 M Sodium acetate 0.065 M ph 4.5
Resolution 2.10 Å R-free 0.245

21 other PDB entries and 31 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CHEA_THEMA
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–379； UniProt 293–671 Author chain B； PDBConstruct 1–379； UniProt 293–671

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 1b3q

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1b3q
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1b3q
Deposition date deposition_date1998-12-14
Structure title titleCRYSTAL STRUCTURE OF CHEA-289, A SIGNAL TRANSDUCING HISTIDINE KINASE
Keywords keywordsHISTINE KINASE, SIGNAL TRANSDUCTION, CHEMOTAXIS, MULTI-DOMAINS PROTEIN, TRANSFERASE; TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier36.47 Å
Radius of gyration Rg (electron density) rg_electron36.18 Å
Forward intensity I(0) i0101626000.00
Molecular weight molecular_weight82841.0 kDa
Excluded volume excluded_volume104890 ų
Envelope volume envelope_volume143730 ų
Hydration-shell volume shell_volume35061 ų
Envelope diameter envelope_diameter121.9 Å
Shell Rg shell_rg39.33 Å
Envelope Rg envelope_rg36.27 Å
Shape Rg shape_rg36.23 Å
Total Rg total_rg36.24 Å
Total atoms total_atoms5789
Residues n_residues738
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax122.1 Å
Rg (real space) rg_real36.64 Å
Rg uncertainty (real space) rg_real_error1.25 Å
I(0) (real space) i0_real1.0160e+08
I(0) uncertainty (real space) i0_real_error1.8690e+06
Rg (reciprocal space) rg_reciprocal36.54 Å
I(0) (reciprocal space) i0_reciprocal101600000.0000
Solution quality estimate total_estimate0.8744
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks0
Primary peak position r_peak_primary— Å
Skewness Skewness skewness0.377
Kurtosis Kurtosis kurtosis-0.551
Angular range angular_range— – 0.2150 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha13670000.0000
Real-space data points n_real_points44
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.887; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.826; Smooth: 0.877
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 14 domains

SCOP 2.08 (6 domains)

Domain ID domain_idd1b3qa1
Class classa — All alpha proteins
Fold Fold folda.30 — ROP-like
Superfamily Superfamily superfamilya.30.2 — Homodimeric domain of signal transducing histidine kinase
Family Family familya.30.2.1 — Homodimeric domain of signal transducing histidine kinase
Domain ID domain_idd1b3qa2
Class classb — All beta proteins
Fold Fold foldb.40 — OB-fold
Superfamily Superfamily superfamilyb.40.7 — CheW-like
Family Family familyb.40.7.1 — CheW-like
Domain ID domain_idd1b3qa3
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.122 — ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase
Superfamily Superfamily superfamilyd.122.1 — ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase
Family Family familyd.122.1.3 — Histidine kinase
Domain ID domain_idd1b3qb1
Class classa — All alpha proteins
Fold Fold folda.30 — ROP-like
Superfamily Superfamily superfamilya.30.2 — Homodimeric domain of signal transducing histidine kinase
Family Family familya.30.2.1 — Homodimeric domain of signal transducing histidine kinase
Domain ID domain_idd1b3qb2
Class classb — All beta proteins
Fold Fold foldb.40 — OB-fold
Superfamily Superfamily superfamilyb.40.7 — CheW-like
Family Family familyb.40.7.1 — CheW-like
Domain ID domain_idd1b3qb3
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.122 — ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase
Superfamily Superfamily superfamilyd.122.1 — ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase
Family Family familyd.122.1.3 — Histidine kinase

CATH v4.4 (8 domains)

Domain ID domain_id1b3qA01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology287 — Helix Hairpins
Homologous superfamily homologous superfamily560 — Histidine kinase CheA-like, homodimeric domain
Domain ID domain_id1b3qA02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology565 — Heat Shock Protein 90
Homologous superfamily homologous superfamily10 — Histidine kinase-like ATPase, C-terminal domain
Domain ID domain_id1b3qA03
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily40 — SH3 Domains
Domain ID domain_id1b3qA04
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily180 — CheA-289, Domain 4
Domain ID domain_id1b3qB01
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology287 — Helix Hairpins
Homologous superfamily homologous superfamily560 — Histidine kinase CheA-like, homodimeric domain
Domain ID domain_id1b3qB02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology565 — Heat Shock Protein 90
Homologous superfamily homologous superfamily10 — Histidine kinase-like ATPase, C-terminal domain
Domain ID domain_id1b3qB03
Class class2 — Mainly Beta
Architecture architecture30 — Roll
Topology topology30 — SH3 type barrels.
Homologous superfamily homologous superfamily40 — SH3 Domains
Domain ID domain_id1b3qB04
Class class2 — Mainly Beta
Architecture architecture40 — Beta Barrel
Topology topology50 — OB fold (Dihydrolipoamide Acetyltransferase, E2P)
Homologous superfamily homologous superfamily180 — CheA-289, Domain 4
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8. Citations (1)

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9. Files and Curves (10)