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.

Method: X-RAY DIFFRACTION D_max: 122.2 Å Quality: GOOD

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

Chemotaxis protein CheA

Thermotoga maritima

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 × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain A； UniProt 355–671	Fragment：unp residues 355-671	Chemotaxis protein CheW × 1 （Q56311） Methyl-accepting chemotaxis protein × 2 （Q7DFA3）	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

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 3UR1	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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 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 oligomeric state 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 oligomeric state 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 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 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 oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–131（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
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 oligomeric state 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 oligomeric state 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 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 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 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 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 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 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 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 oligomeric state 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 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 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 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 oligomeric state 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 oligomeric state 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 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 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 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 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 4–320； UniProt 355–671

Chemotaxis protein CheW

Thermotoga maritima

UniProt Q56311

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 × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain B； UniProt 9–147	Fragment：unp residues 9-147	Chemotaxis protein CheA × 1 （Q56310） Methyl-accepting chemotaxis protein × 2 （Q7DFA3）	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

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 3UR1	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1K0S Solution structure of the chemotaxis protein CheW from the thermophilic organism Thermotoga maritima Deposited 2001-09-20	Different construct 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 1–151（151 aa） Fragment：CheW	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4.5；308 K；Ionic strength (raw mmCIF value) 50mM KCl；Pressure 1 NMR sample composition 1mM TMW U-15N,13C; 50mM Acetate buffer \| 93% H2O/7% D2O	Resolution not provided
2CH4 Complex between Bacterial Chemotaxis histidine kinase CheA domains P4 and P5 and receptor-adaptor protein CheW Deposited 2006-03-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain W 1–151（151 aa）	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 oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain Y 1–151（151 aa）	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
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 oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric	Chain W 1–147（147 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

3 other PDB entries and 4 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	CHEW_THEMA
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 1–139； UniProt 9–147

Methyl-accepting chemotaxis protein

Thermotoga maritima

UniProt Q7DFA3

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 × 4 PDB declaration: tetrameric（4） Consistent with protein copy count	Chain C； UniProt 107–191 Chain D； UniProt 107–191	Fragment：unp residues 107-191	Chemotaxis protein CheA × 1 （Q56310） Chemotaxis protein CheW × 1 （Q56311）	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

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 3UR1	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
3G67 Crystal Structure of a Soluble Chemoreceptor from Thermotoga maritima Deposited 2009-02-06	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 41–253（213 aa） Chain B 41–253（213 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.17 Å R-free 0.278
3G6B Crystal structure of a Soluble Chemoreceptor from Thermotoga maritima Asn217Ile mutant Deposited 2009-02-06	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 41–253（213 aa） Chain B 41–253（213 aa）	Mutation：N217I Mutation：N217I	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；Dioxane, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 3.00 Å R-free 0.305
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 oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain B 107–192（86 aa） Chain C 107–192（86 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

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

View Construct and Data Evidence

UniProt name	Q7DFA3_THEMA
Isoform	—
PDB entities	3
Chains and sequence ranges	Author chain C； PDBConstruct 1–85； UniProt 107–191 Author chain D； PDBConstruct 1–85； UniProt 107–191

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

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

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

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	3ur1
Deposition date deposition_date	2011-11-21
Structure title title	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.
Keywords keywords	chemoreceptor arrays, IMMUNE SYSTEM; IMMUNE SYSTEM
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	34.20 Å
Radius of gyration Rg (electron density) rg_electron	33.57 Å
Forward intensity I(0) i0	63279600.00
Molecular weight molecular_weight	63882.0 kDa
Excluded volume excluded_volume	80768 Å³
Envelope volume envelope_volume	109270 Å³
Hydration-shell volume shell_volume	30269 Å³
Envelope diameter envelope_diameter	126.6 Å
Shell Rg shell_rg	35.96 Å
Envelope Rg envelope_rg	33.43 Å
Shape Rg shape_rg	33.55 Å
Total Rg total_rg	33.86 Å
Total atoms total_atoms	4488
Residues n_residues	572
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	122.2 Å
Rg (real space) rg_real	34.36 Å
Rg uncertainty (real space) rg_real_error	1.76 Å
I(0) (real space) i0_real	6.3280e+07
I(0) uncertainty (real space) i0_real_error	1.1030e+06
Rg (reciprocal space) rg_reciprocal	34.27 Å
I(0) (reciprocal space) i0_reciprocal	63270000.0000
Solution quality estimate total_estimate	0.8462
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	45.1 Å
Skewness Skewness skewness	0.425
Kurtosis Kurtosis kurtosis	-0.121
Angular range angular_range	— – 0.2300 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	6920000.0000
Real-space data points n_real_points	47
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.757; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.861; Smooth: 0.865

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

Entity 1 Entity 1 polymer

Description description	Chemotaxis protein CheA
Molecular weight formula_weight	35551.1 kDa
EC 编号 ec_number	2.7.13.3
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	4488

GSHMVPISFVFNRFPRMVRDLAKKMNKEVNFIMRGEDTELDRTFVEEIGEPLLHLLRNAIDHGIEPKEERIAKGKPPIGTLILSARHEGNNVVIEVEDDGRGIDKEKIIRKAIEKGLIDESKAATLSDQEILNFLFVPGFSTKEKVSEVSGRGVGMDVVKNVVESLNGSISIESEKDKGTKVTIRLPLTLAIIQALLVKVNNLVYAIPIANIDTILSISKEDIQRVQDRDVIVIRGEVIPVYRLWEVLQIEHKEELEEMEAVIVRVGNRKYGIVVDDLLGQDDIVIKSLGKVFSEVKEFSGAAILGDGSIALIINVSGIV

来源 Source

来源生物 organism	Thermotoga maritima
NCBI Class编号 ncbi_taxonomy_id	2336
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	Chemotaxis protein CheW
Molecular weight formula_weight	15718.3 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

KEFEVLSFEIDEQALAFDVDNIEMVIEKSDITPVPKSRHFVEGVINLRGRIIPVVNLAKILGISFDEQKMKSIIVARTKDVEVGFLVDRVLGVLRITENQLDLTNVSDKFGKKSKGLVKTDGRLIIYLDIDKIIEEITV

来源 Source

来源生物 organism	Thermotoga maritima
NCBI Class编号 ncbi_taxonomy_id	2336
宿主生物 host_organism	Escherichia coli

Entity 3 Entity 3 polymer

Description description	Methyl-accepting chemotaxis protein
Molecular weight formula_weight	9448.7 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C,D

SQIGETLENIRSIEKLIQNIMRIARETNILALNATIEAARAGEAGKGFMIVANEVQNLSNETNEVTKQIVEKAREILESSQRSLE

来源 Source

来源生物 organism	Thermotoga maritima
NCBI Class编号 ncbi_taxonomy_id	2336
宿主生物 host_organism	Escherichia coli

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8. Citations (1)

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Unit-cell length a length_a	213.991 Å
Unit-cell length b length_b	213.991 Å
Unit-cell length c length_c	208.192 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	36

Space group space_group	H 3 2
Space-group number int_tables_number	155
Crystal system crystal_system	—

Resolution resolution	4.500 Å
Low-resolution limit resolution_low	29.750 Å
R factor r_factor	0.2660
R_work r_work	0.2660
R_free r_free	0.2910

fit	/app/data/saxs_computation/ur/3ur1/3ur1.fit
pddf	/app/data/pr_computation/ur/3ur1/3ur1.pr.out
profile	/app/data/saxs_computation/ur/3ur1/3ur1.dat

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.

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

Chemotaxis protein CheA

State in the Current Structure

Other States of the Same Protein in the Database

Chemotaxis protein CheW

State in the Current Structure

Other States of the Same Protein in the Database

Methyl-accepting chemotaxis protein

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 (3)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 polymer

Polymer Polymer

来源 Source

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)