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4xiv

Kinase and Dimerization (P3P4) of the Thermotoga maritima CheA kinase

Method: X-RAY DIFFRACTION Dmax: 120.4 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Chemotaxis protein CheA

Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)

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 289–540 Chain B； UniProt 289–540 Fragment：UNP residues 289-540 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

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 4XIV Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1B3Q CRYSTAL STRUCTURE OF CHEA-289, A SIGNAL TRANSDUCING HISTIDINE KINASE Deposited 1998-12-14 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 293–671（379 aa） Fragment：DIMERIZATION DOMAIN, KINASE DOMAIN AND REGULATORY DOMAIN
Chain B 293–671（379 aa） Fragment：DIMERIZATION DOMAIN, KINASE DOMAIN AND REGULATORY DOMAIN
Mutation：Q545C, I521M, S522G 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
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
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 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 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 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 1–252； UniProt 289–540 Author chain B； PDBConstruct 1–252； UniProt 289–540

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 4xiv

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4xiv
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4xiv
Deposition date deposition_date2015-01-07
Structure title titleKinase and Dimerization (P3P4) of the Thermotoga maritima CheA kinase
Keywords keywordsP3P4, dimerization domain, kinase domain, 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_guinier34.64 Å
Radius of gyration Rg (electron density) rg_electron34.52 Å
Forward intensity I(0) i052806400.00
Molecular weight molecular_weight57582.0 kDa
Excluded volume excluded_volume72414 ų
Envelope volume envelope_volume98368 ų
Hydration-shell volume shell_volume26183 ų
Envelope diameter envelope_diameter119.6 Å
Shell Rg shell_rg36.84 Å
Envelope Rg envelope_rg34.51 Å
Shape Rg shape_rg34.54 Å
Total Rg total_rg34.63 Å
Total atoms total_atoms4030
Residues n_residues502
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 dmax120.4 Å
Rg (real space) rg_real34.90 Å
Rg uncertainty (real space) rg_real_error1.18 Å
I(0) (real space) i0_real5.2810e+07
I(0) uncertainty (real space) i0_real_error9.8370e+05
Rg (reciprocal space) rg_reciprocal34.74 Å
I(0) (reciprocal space) i0_reciprocal52800000.0000
Solution quality estimate total_estimate0.7399
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary26.2 Å
Skewness Skewness skewness0.400
Kurtosis Kurtosis kurtosis-0.571
Angular range angular_range— – 0.2300 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha8996000.0000
Real-space data points n_real_points47
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.670; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.605; Smooth: 0.000
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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) 4 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd4xiva1
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.30.2.0 — automated matches
Domain ID domain_idd4xiva2
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_idd4xivb1
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.30.2.0 — automated matches
Domain ID domain_idd4xivb2
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
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8. Citations (1)

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9. Files and Curves (10)