3ula

Crystal structure of the TV3 mutant F63W-MD-2-Eritoran complex

Method: X-RAY DIFFRACTION D_max: 103.3 Å Quality: EXCELLENT

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

Toll-like receptor 4, Variable lymphocyte receptor B

Eptatretus burgeri

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Insufficient information Heteromer Protein × 2 其他Polymer 1 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 27–228	Fragment：UNP RESIDUES 27-228, UNP RESIDUES 126-199 Mutation：F63W	Lymphocyte antigen 96 × 1 （Q9Y6Y9） beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 E55 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 4.5；296 K；0.1M sodium acetate (pH4.5), 22% w/v PEG 8000, 0.2M lithium sulfate, VAPOR DIFFUSION, temperature 296K	Resolution 3.60 Å R-free 0.341
2	Insufficient information Heteromer Protein × 2 其他Polymer 1 PDB declaration: dimeric（2） Consistent with protein copy count	Chain C； UniProt 27–228	Fragment：UNP RESIDUES 27-228, UNP RESIDUES 126-199 Mutation：F63W	Lymphocyte antigen 96 × 1 （Q9Y6Y9） beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 E55 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 4.5；296 K；0.1M sodium acetate (pH4.5), 22% w/v PEG 8000, 0.2M lithium sulfate, VAPOR DIFFUSION, temperature 296K	Resolution 3.60 Å R-free 0.341

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 3ULA	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2Z62 Crystal structure of the TV3 hybrid of human TLR4 and hagfish VLRB.61 Deposited 2007-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–228（202 aa） Fragment：TLR4, UNP residues 27-228(human), VLRB.61, UNP residues 128-199(Inshore hagfish)	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；296 K；0.2M NaCl, 0.1M Bis-Tris Propane, 33% PEG 1000, pH 5.50, VAPOR DIFFUSION, temperature 296K	Resolution 1.70 Å R-free 0.208
2Z63 Crystal structure of the TV8 hybrid of human TLR4 and hagfish VLRB.61 Deposited 2007-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–527（501 aa） Fragment：TLR4, UNP residues 27-527(human), VLRB.61, UNP residues 133-199(Inshore hagfish)	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；277 K；0.2M Sodium Citrate, 0.1M Bis-Tris Propane, 27% PEG 1000, pH 6.50, VAPOR DIFFUSION, temperature 277K	Resolution 2.00 Å R-free 0.298
2Z65 Crystal structure of the human TLR4 TV3 hybrid-MD-2-Eritoran complex Deposited 2007-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–228（202 aa） Fragment：TV3, UNP residues 27-228(human), E5564, UNP residues 19-158(Inshore hagfish)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.5；296 K；0.2M Ammonium Sulfate, 0.1M Sodium Acetate, 20% PEG 4000, 5% Ethanol, pH 4.5, VAPOR DIFFUSION, temperature 296K	Resolution 2.70 Å R-free 0.289
2Z65 Crystal structure of the human TLR4 TV3 hybrid-MD-2-Eritoran complex Deposited 2007-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 27–228（202 aa） Fragment：TV3, UNP residues 27-228(human), E5564, UNP residues 19-158(Inshore hagfish)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.5；296 K；0.2M Ammonium Sulfate, 0.1M Sodium Acetate, 20% PEG 4000, 5% Ethanol, pH 4.5, VAPOR DIFFUSION, temperature 296K	Resolution 2.70 Å R-free 0.289
2Z66 Crystal structure of the VT3 hybrid of human TLR4 and hagfish VLRB.61 Deposited 2007-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 383–627（245 aa） Fragment：VLRB.61, UNP residues 24-82(Inshore hagfish), TLR4, UNP residues 383-228(human)	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；277 K；0.2M Lithium Sulfate, 0.1M Sodium Acetate, 24% PEG 4000, pH 5.50, temperature 277K, VAPOR DIFFUSION	Resolution 1.90 Å R-free 0.219
2Z66 Crystal structure of the VT3 hybrid of human TLR4 and hagfish VLRB.61 Deposited 2007-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 383–627（245 aa） Fragment：VLRB.61, UNP residues 24-82(Inshore hagfish), TLR4, UNP residues 383-228(human)	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；277 K；0.2M Lithium Sulfate, 0.1M Sodium Acetate, 24% PEG 4000, pH 5.50, temperature 277K, VAPOR DIFFUSION	Resolution 1.90 Å R-free 0.219
2Z66 Crystal structure of the VT3 hybrid of human TLR4 and hagfish VLRB.61 Deposited 2007-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain C 383–627（245 aa） Fragment：VLRB.61, UNP residues 24-82(Inshore hagfish), TLR4, UNP residues 383-228(human)	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；277 K；0.2M Lithium Sulfate, 0.1M Sodium Acetate, 24% PEG 4000, pH 5.50, temperature 277K, VAPOR DIFFUSION	Resolution 1.90 Å R-free 0.219
2Z66 Crystal structure of the VT3 hybrid of human TLR4 and hagfish VLRB.61 Deposited 2007-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain D 383–627（245 aa） Fragment：VLRB.61, UNP residues 24-82(Inshore hagfish), TLR4, UNP residues 383-228(human)	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；277 K；0.2M Lithium Sulfate, 0.1M Sodium Acetate, 24% PEG 4000, pH 5.50, temperature 277K, VAPOR DIFFUSION	Resolution 1.90 Å R-free 0.219
3FXI Crystal structure of the human TLR4-human MD-2-E.coli LPS Ra complex Deposited 2009-01-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 27–631（605 aa） Fragment：extracellular domain, residues 27-631 Chain B 27–631（605 aa） Fragment：extracellular domain, residues 27-631	Not recorded	FTT 3-HYDROXY-TETRADECANOIC ACID × 8 DAO LAURIC ACID × 2 MYR MYRISTIC ACID × 2 PO4 PHOSPHATE ION × 8 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；278 K；50mM MgCl2, 0.1M Na-HEPES pH 7.5, 30% PEG MME 550, VAPOR DIFFUSION, HANGING DROP, temperature 278K	Resolution 3.10 Å R-free 0.281
3UL7 Crystal structure of the TV3 mutant F63W Deposited 2011-11-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 28–228（201 aa） Fragment：UNP RESIDUES 28-228, UNP RESIDUES 126-199	Mutation：F63W	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FUL beta-L-fucopyranose × 1 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；296 K；0.1M Bis-Tris (pH5.5), 36% PEG 1000, 0.2M Lithium sulfate, VAPOR DIFFUSION, temperature 296K	Resolution 2.37 Å R-free 0.271
3UL8 Crystal structure of the TV3 mutant V134L Deposited 2011-11-10	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–228（202 aa） Fragment：UNP RESIDUES 27-228, UNP RESIDUES 126-199	Mutation：V134L	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FUL beta-L-fucopyranose × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；296 K；0.1M Bis-Tris(pH5.5), 36% PEG 1000, 0.2M Lithium sulfate, VAPOR DIFFUSION, temperature 296K	Resolution 2.50 Å R-free 0.300
3UL9 structure of the TV3 mutant M41E Deposited 2011-11-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 28–228（201 aa） Fragment：UNP RESIDUES 28-228, UNP RESIDUES 126-199	Mutation：M41E	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FUL beta-L-fucopyranose × 1 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；296 K；0.1M Bis-Tris(pH5.5), 36% PEG 1000, 0.2M Lithium sulfate, VAPOR DIFFUSION, temperature 296K	Resolution 2.45 Å R-free 0.306
4G8A Crystal structure of human TLR4 polymorphic variant D299G and T399I in complex with MD-2 and LPS Deposited 2012-07-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 23–629（607 aa） Fragment：UNP RESIDUES 23-629 Chain B 23–629（607 aa） Fragment：UNP RESIDUES 23-629	Mutation：D299G, T399I Mutation：D299G, T399I	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 LP4 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose × 2 LP5 (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE × 2 DAO LAURIC ACID × 2 MYR MYRISTIC ACID × 2 KDO 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；26-30% (w/v) PEG1000, 0.1M Tris-HCl (pH 8.0), VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.40 Å R-free 0.249
5NAM NMR structure of TLR4 transmembrane domain (624-670) in DMPG/DHPC bicelles Deposited 2017-02-28	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 623–670（48 aa） Fragment：UNP residues 623-670	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6；313 K；Ionic strength (raw mmCIF value) 10；Pressure AMBIENT NMR sample composition 0.5 mM [U-13C; U-15N] TLR4-TM, 71 mM DHPC, 29 mM DMPG, 10 mM imidazole, 0.01 % sodium azide, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.5 mM [U-13C; U-15N] TLR4-TM, 71 mM DHPC, 29 mM DMPC, 10 mM imidazole, 0.01 % sodium azide, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.5 mM [U-13C; U-15N] TLR4-TM, 50 mM [U-2H] DPC, 10 mM imidazole, 0.01 % sodium azide, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
5NAO NMR structure of TLR4 transmembrane domain (624-657) in DPC micelles Deposited 2017-02-28	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 623–657（35 aa） Fragment：UNP residues 623-657	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6；313 K；Ionic strength (raw mmCIF value) 20；Pressure AMBIENT NMR sample composition 1.0 mM [U-100% 13C; U-100% 15N] TLR4-TM, 100 mM [U-99% 2H] DPC, 20 mM sodium phosphate, 0.01 % sodium azide, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
8WO1 Cryo-EM Structure of Human TLR4/MD-2/DLAM5 Complex Deposited 2023-10-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 27–631（605 aa） Chain B 27–631（605 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 GP4 2-amino-2-deoxy-4-O-phosphono-alpha-D-glucopyranose × 2 2IL (3R)-3-(dodecanoyloxy)tetradecanoic acid × 2 0IL (3R)-3-(tetradecanoyloxy)tetradecanoic acid × 2 X6N [(2~{R},3~{S},4~{R},5~{S})-2-(hydroxymethyl)-5-methoxy-4,6-bis(oxidanyl)oxan-3-yl] dihydrogen phosphate × 2 A1L01 (3~{S})-3-decanoyloxytetradecanoic acid × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.24 Å
8WTA Cryo-EM Structure of Human TLR4/MD-2/DLAM3 Complex Deposited 2023-10-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 27–631（605 aa） Chain B 27–631（605 aa）	Not recorded	GP4 2-amino-2-deoxy-4-O-phosphono-alpha-D-glucopyranose × 2 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 2IL (3R)-3-(dodecanoyloxy)tetradecanoic acid × 4 0IL (3R)-3-(tetradecanoyloxy)tetradecanoic acid × 2 XIQ 2-(hydroxymethyl)-5-methoxy-3,6-bis(oxidanyl)pyran-4-one × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.90 Å
9J03 Cyro-EM Structure of Human TLR4/MD-2/DLAM1 Complex Deposited 2024-08-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 27–631（605 aa） Chain B 27–631（605 aa）	Not recorded	2IL (3R)-3-(dodecanoyloxy)tetradecanoic acid × 6 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 GP4 2-amino-2-deoxy-4-O-phosphono-alpha-D-glucopyranose × 2 X6Z [(2~{R},3~{S},4~{S},5~{S})-5-methoxy-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.70 Å

14 other PDB entries and 18 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	TLR4_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 3–204； UniProt 27–228 Author chain C； PDBConstruct 3–204； UniProt 27–228

Toll-like receptor 4, Variable lymphocyte receptor B

Eptatretus burgeri

UniProt Q4G1L2

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Insufficient information Heteromer Protein × 2 其他Polymer 1 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 126–199	Fragment：UNP RESIDUES 27-228, UNP RESIDUES 126-199 Mutation：F63W	Lymphocyte antigen 96 × 1 （Q9Y6Y9） beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 E55 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 4.5；296 K；0.1M sodium acetate (pH4.5), 22% w/v PEG 8000, 0.2M lithium sulfate, VAPOR DIFFUSION, temperature 296K	Resolution 3.60 Å R-free 0.341
2	Insufficient information Heteromer Protein × 2 其他Polymer 1 PDB declaration: dimeric（2） Consistent with protein copy count	Chain C； UniProt 126–199	Fragment：UNP RESIDUES 27-228, UNP RESIDUES 126-199 Mutation：F63W	Lymphocyte antigen 96 × 1 （Q9Y6Y9） beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 E55 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 4.5；296 K；0.1M sodium acetate (pH4.5), 22% w/v PEG 8000, 0.2M lithium sulfate, VAPOR DIFFUSION, temperature 296K	Resolution 3.60 Å R-free 0.341

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 3ULA	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2O6R Structural diversity of the hagfish Variable Lymphocyte Receptors B61 Deposited 2006-12-08	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 A 24–200（177 aa） Fragment：Leucine-rich repeat (LRR), residues 24-200	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；295 K；30% PEG 4000, 0.1M Tris-Hcl, 0.2M sodium chloride, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K	Resolution 2.30 Å R-free 0.259
2Z62 Crystal structure of the TV3 hybrid of human TLR4 and hagfish VLRB.61 Deposited 2007-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 128–199（72 aa） Fragment：TLR4, UNP residues 27-228(human), VLRB.61, UNP residues 128-199(Inshore hagfish)	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；296 K；0.2M NaCl, 0.1M Bis-Tris Propane, 33% PEG 1000, pH 5.50, VAPOR DIFFUSION, temperature 296K	Resolution 1.70 Å R-free 0.208
2Z63 Crystal structure of the TV8 hybrid of human TLR4 and hagfish VLRB.61 Deposited 2007-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 133–199（67 aa） Fragment：TLR4, UNP residues 27-527(human), VLRB.61, UNP residues 133-199(Inshore hagfish)	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；277 K；0.2M Sodium Citrate, 0.1M Bis-Tris Propane, 27% PEG 1000, pH 6.50, VAPOR DIFFUSION, temperature 277K	Resolution 2.00 Å R-free 0.298
2Z65 Crystal structure of the human TLR4 TV3 hybrid-MD-2-Eritoran complex Deposited 2007-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 128–199（72 aa） Fragment：TV3, UNP residues 27-228(human), E5564, UNP residues 19-158(Inshore hagfish)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.5；296 K；0.2M Ammonium Sulfate, 0.1M Sodium Acetate, 20% PEG 4000, 5% Ethanol, pH 4.5, VAPOR DIFFUSION, temperature 296K	Resolution 2.70 Å R-free 0.289
2Z65 Crystal structure of the human TLR4 TV3 hybrid-MD-2-Eritoran complex Deposited 2007-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 128–199（72 aa） Fragment：TV3, UNP residues 27-228(human), E5564, UNP residues 19-158(Inshore hagfish)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.5；296 K；0.2M Ammonium Sulfate, 0.1M Sodium Acetate, 20% PEG 4000, 5% Ethanol, pH 4.5, VAPOR DIFFUSION, temperature 296K	Resolution 2.70 Å R-free 0.289
2Z66 Crystal structure of the VT3 hybrid of human TLR4 and hagfish VLRB.61 Deposited 2007-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 24–82（59 aa） Fragment：VLRB.61, UNP residues 24-82(Inshore hagfish), TLR4, UNP residues 383-228(human)	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；277 K；0.2M Lithium Sulfate, 0.1M Sodium Acetate, 24% PEG 4000, pH 5.50, temperature 277K, VAPOR DIFFUSION	Resolution 1.90 Å R-free 0.219
2Z66 Crystal structure of the VT3 hybrid of human TLR4 and hagfish VLRB.61 Deposited 2007-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 24–82（59 aa） Fragment：VLRB.61, UNP residues 24-82(Inshore hagfish), TLR4, UNP residues 383-228(human)	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；277 K；0.2M Lithium Sulfate, 0.1M Sodium Acetate, 24% PEG 4000, pH 5.50, temperature 277K, VAPOR DIFFUSION	Resolution 1.90 Å R-free 0.219
2Z66 Crystal structure of the VT3 hybrid of human TLR4 and hagfish VLRB.61 Deposited 2007-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain C 24–82（59 aa） Fragment：VLRB.61, UNP residues 24-82(Inshore hagfish), TLR4, UNP residues 383-228(human)	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；277 K；0.2M Lithium Sulfate, 0.1M Sodium Acetate, 24% PEG 4000, pH 5.50, temperature 277K, VAPOR DIFFUSION	Resolution 1.90 Å R-free 0.219
2Z66 Crystal structure of the VT3 hybrid of human TLR4 and hagfish VLRB.61 Deposited 2007-07-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain D 24–82（59 aa） Fragment：VLRB.61, UNP residues 24-82(Inshore hagfish), TLR4, UNP residues 383-228(human)	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；277 K；0.2M Lithium Sulfate, 0.1M Sodium Acetate, 24% PEG 4000, pH 5.50, temperature 277K, VAPOR DIFFUSION	Resolution 1.90 Å R-free 0.219
2Z7X Crystal structure of the TLR1-TLR2 heterodimer induced by binding of a tri-acylated lipopeptide Deposited 2007-08-29	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 133–199（67 aa） Chain B 133–199（67 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 PLM PALMITIC ACID × 1 Z41 (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；0.2M sodium citrate, 20% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 296K	Resolution 2.10 Å R-free 0.270
2Z80 Crystal structure of the TLR1-TLR2 heterodimer induced by binding of a tri-acylated lipopeptide Deposited 2007-08-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 136–199（64 aa） Fragment：TLR2, UNP residues 1-284(human), VLRB.61, UNP residues 136-199(Inshore hagfish)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；0.1M Tris-HCl pH8.5, 28% PEG2000, VAPOR DIFFUSION, HANGING DROP, temperature 296K	Resolution 1.80 Å R-free 0.254
2Z80 Crystal structure of the TLR1-TLR2 heterodimer induced by binding of a tri-acylated lipopeptide Deposited 2007-08-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 136–199（64 aa） Fragment：TLR2, UNP residues 1-284(human), VLRB.61, UNP residues 136-199(Inshore hagfish)	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；0.1M Tris-HCl pH8.5, 28% PEG2000, VAPOR DIFFUSION, HANGING DROP, temperature 296K	Resolution 1.80 Å R-free 0.254
2Z81 Crystal structure of the TLR1-TLR2 heterodimer induced by binding of a tri-acylated lipopeptide Deposited 2007-08-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 133–199（67 aa） Fragment：TLR2, UNP residues 27-506(Mouse), VLRB.61, UNP residues 136-199(Inshore hagfish)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PCJ (2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；0.2M ammonium sulfate, 0.1M Tris-HCl pH8.5, 34% PEG1000, VAPOR DIFFUSION, HANGING DROP, temperature 296K	Resolution 1.80 Å R-free 0.232
2Z82 Crystal structure of the TLR1-TLR2 heterodimer induced by binding of a tri-acylated lipopeptide Deposited 2007-08-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 133–199（67 aa） Fragment：TLR2, UNP residues 27-506(Mouse), VLRB.61, UNP residues 133-199(Inshore hagfish)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PDJ (2R)-3-{[(2R)-2-AMINO-3-HYDROXYPROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；0.2M ammonium sulfate, 0.1M Tris-HCl pH8.5 and 34% PEG1000, VAPOR DIFFUSION, HANGING DROP, temperature 296K	Resolution 2.60 Å R-free 0.277
3A79 Crystal structure of TLR2-TLR6-Pam2CSK4 complex Deposited 2009-09-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 133–200（68 aa） Fragment：extracellular domain, UNP residues 1-506(mouse), UNP residues 133-200(Inshore hagfish)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 PXS (2S)-propane-1,2-diyl dihexadecanoate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；2.0M ammonium sulfate, 0.1M MES pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.90 Å R-free 0.280
3A7B Crystal structure of TLR2-Streptococcus Pneumoniae lipoteichoic acid complex Deposited 2009-09-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 133–200（68 aa） Fragment：extracellular domain, UNP residues 1-506(mouse), UNP residues 133-200(Inshore hagfish)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 LTC (2S)-1-({3-O-[2-(acetylamino)-4-amino-2,4,6-trideoxy-beta-D-galactopyranosyl]-alpha-D-glucopyranosyl}oxy)-3-(heptanoyloxy)propan-2-yl (7Z)-pentadec-7-enoate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；50mM ammonium citrate pH 7.0, 20% PEG 4000, 30% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.53 Å R-free 0.270
3A7C Crystal structure of TLR2-PE-DTPA complex Deposited 2009-09-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 133–200（68 aa） Fragment：extracellular domain, UNP residues 1-506(mouse), UNP residues 133-200(Inshore hagfish)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 PDK (10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide × 1 LU LUTETIUM (III) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.2M ammonium sulfate, 0.1M Na-HEPES pH 7.5, 25% PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.40 Å R-free 0.290
3UL7 Crystal structure of the TV3 mutant F63W Deposited 2011-11-10	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 126–199（74 aa） Fragment：UNP RESIDUES 28-228, UNP RESIDUES 126-199	Mutation：F63W	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FUL beta-L-fucopyranose × 1 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；296 K；0.1M Bis-Tris (pH5.5), 36% PEG 1000, 0.2M Lithium sulfate, VAPOR DIFFUSION, temperature 296K	Resolution 2.37 Å R-free 0.271
3UL8 Crystal structure of the TV3 mutant V134L Deposited 2011-11-10	Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 126–199（74 aa） Fragment：UNP RESIDUES 27-228, UNP RESIDUES 126-199	Mutation：V134L	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FUL beta-L-fucopyranose × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；296 K；0.1M Bis-Tris(pH5.5), 36% PEG 1000, 0.2M Lithium sulfate, VAPOR DIFFUSION, temperature 296K	Resolution 2.50 Å R-free 0.300
3UL9 structure of the TV3 mutant M41E Deposited 2011-11-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 126–199（74 aa） Fragment：UNP RESIDUES 28-228, UNP RESIDUES 126-199	Mutation：M41E	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 FUL beta-L-fucopyranose × 1 SO4 SULFATE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 5.5；296 K；0.1M Bis-Tris(pH5.5), 36% PEG 1000, 0.2M Lithium sulfate, VAPOR DIFFUSION, temperature 296K	Resolution 2.45 Å R-free 0.306
3V44 Crystal structure of the N-terminal fragment of zebrafish TLR5 Deposited 2011-12-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 126–200（75 aa） Fragment：zebrafish Toll-like receptor 5b (UNP residues 22-342) and hagfish variable lymphocyte receptor B.61 (UNP residues 126-200)	Mutation：V24E, L124V, Q159K, R227K, S229T, D334N	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；20% MPD, 0.1 M Hepes pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.83 Å R-free 0.238
3V47 Crystal structure of the N-terminal fragment of zebrafish TLR5 in complex with Salmonella flagellin Deposited 2011-12-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 126–200（75 aa） Fragment：zebrafish Toll-like receptor 5b (UNP residues 22-390), hagfish variable lymphocyte receptor B.61 (UNP residues 126-200) Chain B 126–200（75 aa） Fragment：zebrafish Toll-like receptor 5b (UNP residues 22-390), hagfish variable lymphocyte receptor B.61 (UNP residues 126-200)	Mutation：V24E, L124V, Q159K, R227K, S229T, D334N Mutation：V24E, L124V, Q159K, R227K, S229T, D334N	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；296 K；15% PEG8000, 0.2 M magnesium chloride, 0.1 M Tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 296K	Resolution 2.47 Å R-free 0.259
4ARN Crystal structure of the N-terminal domain of Drosophila Toll receptor Deposited 2012-04-25	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 131–201（71 aa） Fragment：TOLL RECEPTOR RESIDUES 28-228, VARIABLE LYMPHOCYTE RECEPTOR B.61 RESIDUES 131-201	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 MLI MALONATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；PH 7	Resolution 2.41 Å R-free 0.216
4ARN Crystal structure of the N-terminal domain of Drosophila Toll receptor Deposited 2012-04-25	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 131–201（71 aa） Fragment：TOLL RECEPTOR RESIDUES 28-228, VARIABLE LYMPHOCYTE RECEPTOR B.61 RESIDUES 131-201	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 MLI MALONATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；PH 7	Resolution 2.41 Å R-free 0.216
4ARN Crystal structure of the N-terminal domain of Drosophila Toll receptor Deposited 2012-04-25	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain C 131–201（71 aa） Fragment：TOLL RECEPTOR RESIDUES 28-228, VARIABLE LYMPHOCYTE RECEPTOR B.61 RESIDUES 131-201	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；PH 7	Resolution 2.41 Å R-free 0.216
4ARN Crystal structure of the N-terminal domain of Drosophila Toll receptor Deposited 2012-04-25	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain D 131–201（71 aa） Fragment：TOLL RECEPTOR RESIDUES 28-228, VARIABLE LYMPHOCYTE RECEPTOR B.61 RESIDUES 131-201	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；PH 7	Resolution 2.41 Å R-free 0.216
4ARR Crystal structure of the N-terminal domain of Drosophila Toll receptor with the magic triangle I3C Deposited 2012-04-26	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 133–201（69 aa） Fragment：TOLL RECEPTOR (UNP RESIDUES 28-228), VARIABLE LYMPHOCYTE RECEPTOR B.61 (UNP RESIDUES 133-201)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 I3C 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；SODIUM MALONATE AND 5-AMINO-2,4, 6-TRIIODOISOPHTHALIC ACID, pH 7	Resolution 3.00 Å R-free 0.254
4ARR Crystal structure of the N-terminal domain of Drosophila Toll receptor with the magic triangle I3C Deposited 2012-04-26	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 133–201（69 aa） Fragment：TOLL RECEPTOR (UNP RESIDUES 28-228), VARIABLE LYMPHOCYTE RECEPTOR B.61 (UNP RESIDUES 133-201)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 I3C 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；SODIUM MALONATE AND 5-AMINO-2,4, 6-TRIIODOISOPHTHALIC ACID, pH 7	Resolution 3.00 Å R-free 0.254
4BV4 Structure and allostery in Toll-Spatzle recognition Deposited 2013-06-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 3 PDB declaration: trimeric	Chain R 133–201（69 aa） Fragment：PROTEIN TOLL, RESIDUES 28-397, VARIABLE LYMPHOCYTE RECEPTOR B, RESIDUES 133-201	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；15% PEG 8000, 0.1M TRIS PH 7.5, 0.1 M MGCL2	Resolution 2.35 Å R-free 0.227
4QDH Crystal Structure of the C-terminal Domain of Mouse TLR9 Deposited 2014-05-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 21–81（61 aa） Fragment：SEE REMARK 999 Chain A 126–200（75 aa） Fragment：SEE REMARK 999	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.77；295 K；100 mM sodium citrate, 1.5 M ammonium sulfate, pH 4.77, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.40 Å R-free 0.247
4QDH Crystal Structure of the C-terminal Domain of Mouse TLR9 Deposited 2014-05-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain B 21–81（61 aa） Fragment：SEE REMARK 999 Chain B 126–200（75 aa） Fragment：SEE REMARK 999	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.77；295 K；100 mM sodium citrate, 1.5 M ammonium sulfate, pH 4.77, VAPOR DIFFUSION, SITTING DROP, temperature 295K	Resolution 2.40 Å R-free 0.247
4QXE Crystal structure of LGR4 fused with hagfish VLR Deposited 2014-07-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 133–200（68 aa） Fragment：R-spondin Receptor, UNP residues 27-396, UNP residues 133-200	Mutation：D75G	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 GOL GLYCEROL × 1 CL CHLORIDE ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；289 K；0.1M HEPES pH 7.5, 2.0M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 289K	Resolution 2.20 Å R-free 0.237
4QXF crystal structure of human LGR4 and Rspo1 Deposited 2014-07-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 128–200（73 aa） Fragment：UNP residues 27-252, UNP residues 128-200	Mutation：D75G	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；289 K；0.1M MES pH 6.5, 0.2M sodium thiocyanate, 22% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K	Resolution 2.25 Å R-free 0.243
4QXF crystal structure of human LGR4 and Rspo1 Deposited 2014-07-20	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 128–200（73 aa） Fragment：UNP residues 27-252, UNP residues 128-200	Mutation：D75G	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；289 K；0.1M MES pH 6.5, 0.2M sodium thiocyanate, 22% PEG3350, VAPOR DIFFUSION, HANGING DROP, temperature 289K	Resolution 2.25 Å R-free 0.243
5GY2 Crystal structure of a complex between Bacillus subtilis flagellin and zebrafish Toll-like receptor 5 Deposited 2016-09-21	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 126–200（75 aa）	Mutation：V24E/L124V/Q159K/R227K/S229T/D334N	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 PG4 TETRAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.4；291 K；PEG 300, sodium acetate, pH 4.4	Resolution 2.10 Å R-free 0.236
5GY2 Crystal structure of a complex between Bacillus subtilis flagellin and zebrafish Toll-like receptor 5 Deposited 2016-09-21	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 126–200（75 aa）	Mutation：V24E/L124V/Q159K/R227K/S229T/D334N	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 PG4 TETRAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.4；291 K；PEG 300, sodium acetate, pH 4.4	Resolution 2.10 Å R-free 0.236
5IJB The ligand-free structure of the mouse TLR4/MD-2 complex Deposited 2016-03-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 126–200（75 aa） Fragment：TLR4 ectodomain (UNP residues 26-544) + VLRB (UNP residues 126-200)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Bicine, pH 7.5, 12% PEG10000	Resolution 2.91 Å R-free 0.308
5IJB The ligand-free structure of the mouse TLR4/MD-2 complex Deposited 2016-03-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 126–200（75 aa） Fragment：TLR4 ectodomain (UNP residues 26-544) + VLRB (UNP residues 126-200)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；0.1 M Bicine, pH 7.5, 12% PEG10000	Resolution 2.91 Å R-free 0.308
5IJC The crystal structure of mouse TLR4/MD-2/neoseptin-3 complex Deposited 2016-03-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 126–200（75 aa） Fragment：TLR4 ectodomain (UNP residues 26-544) + VLRB (UNP residues 126-200)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 6 V2A neoseptin 3 × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1 M Tris, pH 8.0, 0.2 M lithium chloride, 12% PEG8000	Resolution 2.57 Å R-free 0.234
5IJC The crystal structure of mouse TLR4/MD-2/neoseptin-3 complex Deposited 2016-03-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 126–200（75 aa） Fragment：TLR4 ectodomain (UNP residues 26-544) + VLRB (UNP residues 126-200)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 V2A neoseptin 3 × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1 M Tris, pH 8.0, 0.2 M lithium chloride, 12% PEG8000	Resolution 2.57 Å R-free 0.234
5IJD The crystal structure of mouse TLR4/MD-2/lipid A complex Deposited 2016-03-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 126–200（75 aa） Fragment：TLR4 ectodomain (UNP residues 26-544) + VLRB (UNP residues 126-200) Chain B 126–200（75 aa） Fragment：TLR4 ectodomain (UNP residues 26-544) + VLRB (UNP residues 126-200)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 LP4 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose × 2 LP5 (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE × 2 DAO LAURIC ACID × 2 MYR MYRISTIC ACID × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1 M Tris, pH 8.0, 0.2 M lithium chloride, 14% PEG8000, 2.5% PEG400	Resolution 2.70 Å R-free 0.285
5IJD The crystal structure of mouse TLR4/MD-2/lipid A complex Deposited 2016-03-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 126–200（75 aa） Fragment：TLR4 ectodomain (UNP residues 26-544) + VLRB (UNP residues 126-200)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 LP4 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose × 1 LP5 (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE × 1 DAO LAURIC ACID × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1 M Tris, pH 8.0, 0.2 M lithium chloride, 14% PEG8000, 2.5% PEG400	Resolution 2.70 Å R-free 0.285
5IJD The crystal structure of mouse TLR4/MD-2/lipid A complex Deposited 2016-03-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 126–200（75 aa） Fragment：TLR4 ectodomain (UNP residues 26-544) + VLRB (UNP residues 126-200)	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 LP4 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose × 1 LP5 (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE × 1 DAO LAURIC ACID × 1 MYR MYRISTIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.1 M Tris, pH 8.0, 0.2 M lithium chloride, 14% PEG8000, 2.5% PEG400	Resolution 2.70 Å R-free 0.285
6BXA Crystal structure of N-terminal fragment of Zebrafish Toll-Like Receptor 5 (TLR5) with Lamprey Variable Lymphocyte Receptor 2 (VLR2) bound Deposited 2017-12-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 126–200（75 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；16% PEG 8K, 180 mM ammonium citrate, 90 mM MES pH 6.0, 10 mM urea	Resolution 2.30 Å R-free 0.218
6BXA Crystal structure of N-terminal fragment of Zebrafish Toll-Like Receptor 5 (TLR5) with Lamprey Variable Lymphocyte Receptor 2 (VLR2) bound Deposited 2017-12-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 126–200（75 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 3 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；16% PEG 8K, 180 mM ammonium citrate, 90 mM MES pH 6.0, 10 mM urea	Resolution 2.30 Å R-free 0.218
6BXC Crystal structure of N-terminal fragment of Zebrafish Toll-Like Receptor 5 (TLR5) with Lamprey Variable Lymphocyte Receptor 9 (VLR9) bound Deposited 2017-12-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 126–200（75 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；15% Peg3350, 170 mM MgNO3, 80 mM MES pH 6.0, 15% ethylene glycol	Resolution 2.50 Å R-free 0.270
6BXC Crystal structure of N-terminal fragment of Zebrafish Toll-Like Receptor 5 (TLR5) with Lamprey Variable Lymphocyte Receptor 9 (VLR9) bound Deposited 2017-12-18	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 126–200（75 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；15% Peg3350, 170 mM MgNO3, 80 mM MES pH 6.0, 15% ethylene glycol	Resolution 2.50 Å R-free 0.270
7MLM Crystal structure of mouse TLR4/MD-2 in complex with sulfatides Deposited 2021-04-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 126–200（75 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 ZKM N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]-hexadecanamide × 6	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1 M Tris pH8.0, 0.8 M sodium formate, 8% PEG 8000, 8% PEG 1000	Resolution 2.10 Å R-free 0.244
7MLM Crystal structure of mouse TLR4/MD-2 in complex with sulfatides Deposited 2021-04-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 126–200（75 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 ZKM N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]-hexadecanamide × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；0.1 M Tris pH8.0, 0.8 M sodium formate, 8% PEG 8000, 8% PEG 1000	Resolution 2.10 Å R-free 0.244

30 other PDB entries and 49 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	Q4G1L2_EPTBU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 205–278； UniProt 126–199 Author chain C； PDBConstruct 205–278； UniProt 126–199

Lymphocyte antigen 96

Homo sapiens

UniProt Q9Y6Y9

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Insufficient information Heteromer Protein × 2 其他Polymer 1 PDB declaration: dimeric（2） Consistent with protein copy count	Chain D； UniProt 19–158	Fragment：UNP RESIDUES 19-158	Toll-like receptor 4, Variable lymphocyte receptor B × 1 （O00206,Q4G1L2） beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 E55 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 4.5；296 K；0.1M sodium acetate (pH4.5), 22% w/v PEG 8000, 0.2M lithium sulfate, VAPOR DIFFUSION, temperature 296K	Resolution 3.60 Å R-free 0.341
2	Insufficient information Heteromer Protein × 2 其他Polymer 1 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 19–158	Fragment：UNP RESIDUES 19-158	Toll-like receptor 4, Variable lymphocyte receptor B × 1 （O00206,Q4G1L2） beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose × 1 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 E55 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 4.5；296 K；0.1M sodium acetate (pH4.5), 22% w/v PEG 8000, 0.2M lithium sulfate, VAPOR DIFFUSION, temperature 296K	Resolution 3.60 Å R-free 0.341

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 3ULA	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2E56 Crystal structure of human MD-2 Deposited 2006-12-19	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 17–160（144 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 MYR MYRISTIC ACID × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.3；277 K；20% PEG8000, 120mM Na-acetate,70mM Na-cacodylate, pH 6.3, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K	Resolution 2.00 Å R-free 0.249
2E59 Crystal structure of human MD-2 in complex with lipid IVa Deposited 2006-12-19	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 17–160（144 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 LP5 (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE × 1 LP4 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；277 K；15% PEG3350, 40mM Na-citrate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K	Resolution 2.21 Å R-free 0.263
2Z65 Crystal structure of the human TLR4 TV3 hybrid-MD-2-Eritoran complex Deposited 2007-07-22	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 19–158（140 aa）	Not recorded	E55 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.5；296 K；0.2M Ammonium Sulfate, 0.1M Sodium Acetate, 20% PEG 4000, 5% Ethanol, pH 4.5, VAPOR DIFFUSION, temperature 296K	Resolution 2.70 Å R-free 0.289
2Z65 Crystal structure of the human TLR4 TV3 hybrid-MD-2-Eritoran complex Deposited 2007-07-22	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 19–158（140 aa）	Not recorded	E55 3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 4.5；296 K；0.2M Ammonium Sulfate, 0.1M Sodium Acetate, 20% PEG 4000, 5% Ethanol, pH 4.5, VAPOR DIFFUSION, temperature 296K	Resolution 2.70 Å R-free 0.289
3FXI Crystal structure of the human TLR4-human MD-2-E.coli LPS Ra complex Deposited 2009-01-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 19–160（142 aa） Chain D 19–160（142 aa）	Not recorded	FTT 3-HYDROXY-TETRADECANOIC ACID × 8 DAO LAURIC ACID × 2 MYR MYRISTIC ACID × 2 PO4 PHOSPHATE ION × 8 NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 8 MG MAGNESIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；278 K；50mM MgCl2, 0.1M Na-HEPES pH 7.5, 30% PEG MME 550, VAPOR DIFFUSION, HANGING DROP, temperature 278K	Resolution 3.10 Å R-free 0.281
4G8A Crystal structure of human TLR4 polymorphic variant D299G and T399I in complex with MD-2 and LPS Deposited 2012-07-23	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Other combination Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 17–160（144 aa） Chain D 17–160（144 aa）	Not recorded	NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 4 LP4 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose × 2 LP5 (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE × 2 DAO LAURIC ACID × 2 MYR MYRISTIC ACID × 2 KDO 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；26-30% (w/v) PEG1000, 0.1M Tris-HCl (pH 8.0), VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.40 Å R-free 0.249

5 other PDB entries and 6 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	LY96_HUMAN
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 3–142； UniProt 19–158 Author chain D； PDBConstruct 3–142； UniProt 19–158

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	3ula
Deposition date deposition_date	2011-11-10
Structure title title	Crystal structure of the TV3 mutant F63W-MD-2-Eritoran complex
Keywords keywords	LRR, LPS binding, MD-2, extracellular matrix, 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	33.32 Å
Radius of gyration Rg (electron density) rg_electron	32.58 Å
Forward intensity I(0) i0	143173000.00
Molecular weight molecular_weight	99189.0 kDa
Excluded volume excluded_volume	125750 Å³
Envelope volume envelope_volume	165850 Å³
Hydration-shell volume shell_volume	41748 Å³
Envelope diameter envelope_diameter	103.7 Å
Shell Rg shell_rg	40.21 Å
Envelope Rg envelope_rg	31.92 Å
Shape Rg shape_rg	32.60 Å
Total Rg total_rg	33.15 Å
Total atoms total_atoms	6962
Residues n_residues	832
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	103.3 Å
Rg (real space) rg_real	33.19 Å
Rg uncertainty (real space) rg_real_error	0.66 Å
I(0) (real space) i0_real	1.4320e+08
I(0) uncertainty (real space) i0_real_error	2.0760e+06
Rg (reciprocal space) rg_reciprocal	33.27 Å
I(0) (reciprocal space) i0_reciprocal	143200000.0000
Solution quality estimate total_estimate	0.9098
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	47.4 Å
Skewness Skewness skewness	0.105
Kurtosis Kurtosis kurtosis	-0.621
Angular range angular_range	— – 0.2400 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	50930000.0000
Real-space data points n_real_points	49
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.951; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.970

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	Toll-like receptor 4, Variable lymphocyte receptor B
Molecular weight formula_weight	31426.0 kDa
Mutation mutation	F63W
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,C
Atom count atom_count	6962

GSEPCVEVVPNITYQCMELNFYKIPDNLPFSTKNLDLSWNPLRHLGSYSFFSFPELQVLDLSRCEIQTIEDGAYQSLSHLSTLILTGNPIQSLALGAFSGLSSLQKLVAVETNLASLENFPIGHLKTLKELNVAHNLIQSFKLPEYFSNLTNLEHLDLSSNKIQSIYCTDLRVLHQMPLLNLSLDLSLNPMNFIQPGAFKEIRLKELALDTNQLKSVPDGIFDRLTSLQKIWLHTNPWDCSCPRIDYLSRWLNKNSQKEQGSAKCSGSGKPVRSIICPT

来源 Source

来源生物 organism	Eptatretus burgeri
通用名 common_name	human, Inshore hagfish
NCBI Class编号 ncbi_taxonomy_id	7764
宿主生物 host_organism	Spodoptera frugiperda

Entity 2 Entity 2 polymer

Description description	Lymphocyte antigen 96
Molecular weight formula_weight	16328.9 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

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

GSQKQYWVCNSSDASISYTYCDKMQYPISINVNPCIELKGSKGLLHIFYIPRRDLKQLYFNLYITVNTMNLPKRKEVICRGSDDDYSFCRALKGETVNTTISFSFKGIKFSKGKYKCVVEAISGSPEEMLFCLEFVILHQPN

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Spodoptera frugiperda

Entity 3 Entity 3 branched

Description description	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Molecular weight formula_weight	586.5 kDa
Source method src_method	man
Copy count entity_count	2

Entity 4 Entity 4 non-polymer

Description description	2-acetamido-2-deoxy-beta-D-glucopyranose
Molecular weight formula_weight	221.2 kDa
Source method src_method	man
Copy count entity_count	4

Entity 5 Entity 5 non-polymer

Description description	;3-O-DECYL-2-DEOXY-6-O-{2-DEOXY-3-O-[(3R)-3-METHOXYDECYL]-6-O-METHYL-2-[(11Z)-OCTADEC-11-ENOYLAMINO]-4-O-PHOSPHONO-BETA-D-GLUCOPYRANOSYL}-2-[(3-OXOTETRADECANOYL)AMINO]-1-O-PHOSPHONO-ALPHA-D-GLUCOPYRANOSE ;
Molecular weight formula_weight	1313.7 kDa
Source method src_method	syn
Copy count entity_count	2

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7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id	3ulaA00
Class class	3 — Alpha Beta
Architecture architecture	80 — Alpha-Beta Horseshoe
Topology topology	10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
Homologous superfamily homologous superfamily	10 — Ribonuclease Inhibitor

Domain ID domain_id	3ulaB00
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	770 —

Domain ID domain_id	3ulaC00
Class class	3 — Alpha Beta
Architecture architecture	80 — Alpha-Beta Horseshoe
Topology topology	10 — Leucine-rich repeat, LRR (right-handed beta-alpha superhelix)
Homologous superfamily homologous superfamily	10 — Ribonuclease Inhibitor

Domain ID domain_id	3ulaD00
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	770 —

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8. Citations (1)

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Unit-cell length a length_a	80.210 Å
Unit-cell length b length_b	126.935 Å
Unit-cell length c length_c	129.506 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	3.600 Å
Low-resolution limit resolution_low	50.000 Å
R factor r_factor	—
R_work r_work	0.3056
R_free r_free	0.3406

fit	/app/data/saxs_computation/ul/3ula/3ula.fit
pddf	/app/data/pr_computation/ul/3ula/3ula.pr.out
profile	/app/data/saxs_computation/ul/3ula/3ula.dat

Crystal structure of the TV3 mutant F63W-MD-2-Eritoran complex

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

Toll-like receptor 4, Variable lymphocyte receptor B

State in the Current Structure

Other States of the Same Protein in the Database

Toll-like receptor 4, Variable lymphocyte receptor B

State in the Current Structure

Other States of the Same Protein in the Database

Lymphocyte antigen 96

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

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

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

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 branched

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 non-polymer

7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)