10rb

Human SARM1 TIR domain bound to compound 14

Method: X-RAY DIFFRACTION D_max: 66.3 Å Quality: EXCELLENT

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

NAD(+) hydrolase SARM1

Homo sapiens

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 558–700	Fragment：TIR domain	A1C9H 1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-[(6P)-7-{[2-(dimethylamino)ethyl]amino}-6-(5-fluoro-1H-indol-2-yl)-1-methyl-1H-imidazo[4,5-c]pyridin-2-yl]pyridin-1-ium (non-preferred name) × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；0.1 M Bis-Tris-Propane, pH 6.4, 0.2 M K-thiocyanate, 8% PEG 3350	Resolution 2.05 Å R-free 0.254
2	Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 558–700	Fragment：TIR domain	A1C9H 1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-[(6P)-7-{[2-(dimethylamino)ethyl]amino}-6-(5-fluoro-1H-indol-2-yl)-1-methyl-1H-imidazo[4,5-c]pyridin-2-yl]pyridin-1-ium (non-preferred name) × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.4；293 K；0.1 M Bis-Tris-Propane, pH 6.4, 0.2 M K-thiocyanate, 8% PEG 3350	Resolution 2.05 Å R-free 0.254

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 10RB	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
10RA Human SARM1 TIR domain bound to compound 6 Deposited 2026-02-02	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 560–700（141 aa） Fragment：TIR domain	Not recorded	A1C9A 1-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-[(4S,6P)-6-(5-fluoro-1H-indol-2-yl)imidazo[1,2-a]pyrazin-2-yl]pyridin-1-ium (non-preferred name) × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M Bis-Tris propane pH 7.5, 0.2 M potassium thiocyanate, 12% (w/v) PEG3350	Resolution 1.79 Å R-free 0.239
10RA Human SARM1 TIR domain bound to compound 6 Deposited 2026-02-02	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 560–700（141 aa） Fragment：TIR domain	Not recorded	A1C9A 1-[(2R,3R,4S,5R)-5-({[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-[(4S,6P)-6-(5-fluoro-1H-indol-2-yl)imidazo[1,2-a]pyrazin-2-yl]pyridin-1-ium (non-preferred name) × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M Bis-Tris propane pH 7.5, 0.2 M potassium thiocyanate, 12% (w/v) PEG3350	Resolution 1.79 Å R-free 0.239
10RC Human SARM1 TIR domain bound to compound 22 Deposited 2026-02-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 558–700（143 aa） Fragment：TIR domain	Not recorded	GOL GLYCEROL × 2 A1C9I 1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-{(6P)-7-{[2-(dimethylamino)ethyl]amino}-6-[6-fluoro-4-(pyrimidin-2-yl)-1H-indol-2-yl]-1-methyl-1H-imidazo[4,5-c]pyridin-2-yl}pyridin-1-ium (non-preferred name) × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M Bis-Tris-Propane, pH 6.5, 0.2 M K-thiocyanate, 7.5% PEG 3350	Resolution 1.90 Å R-free 0.245
10RC Human SARM1 TIR domain bound to compound 22 Deposited 2026-02-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 558–700（143 aa） Fragment：TIR domain	Not recorded	A1C9I 1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-{(6P)-7-{[2-(dimethylamino)ethyl]amino}-6-[6-fluoro-4-(pyrimidin-2-yl)-1H-indol-2-yl]-1-methyl-1H-imidazo[4,5-c]pyridin-2-yl}pyridin-1-ium (non-preferred name) × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1 M Bis-Tris-Propane, pH 6.5, 0.2 M K-thiocyanate, 7.5% PEG 3350	Resolution 1.90 Å R-free 0.245
6O0Q Crystal structure of the TIR domain from human SARM1 in complex with ribose Deposited 2019-02-17	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 560–700（141 aa）	Not recorded	BDR beta-D-ribofuranose × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis Tris propane pH 6.5, 0.2 M potassium thiocyanate, 11% PEG3350	Resolution 1.80 Å R-free 0.210
6O0Q Crystal structure of the TIR domain from human SARM1 in complex with ribose Deposited 2019-02-17	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 560–700（141 aa）	Not recorded	BDR beta-D-ribofuranose × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis Tris propane pH 6.5, 0.2 M potassium thiocyanate, 11% PEG3350	Resolution 1.80 Å R-free 0.210
6O0R Crystal structure of the TIR domain from human SARM1 in complex with glycerol Deposited 2019-02-17	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 560–700（141 aa）	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis Tris propane pH 6.5, 0.2 M potassium thiocyanate, 11% PEG3350	Resolution 1.80 Å R-free 0.232
6O0R Crystal structure of the TIR domain from human SARM1 in complex with glycerol Deposited 2019-02-17	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 560–700（141 aa）	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis Tris propane pH 6.5, 0.2 M potassium thiocyanate, 11% PEG3350	Resolution 1.80 Å R-free 0.232
6O0S Crystal structure of the tandem SAM domains from human SARM1 Deposited 2019-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 409–561（153 aa） Chain B 409–561（153 aa） Chain C 409–561（153 aa） Chain D 409–561（153 aa） Chain E 409–561（153 aa） Chain F 409–561（153 aa） Chain G 409–561（153 aa） Chain H 409–561（153 aa）	Mutation：L473F Mutation：L473F Mutation：L473F Mutation：L473F Mutation：L473F Mutation：L473F Mutation：L473F Mutation：L473F	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；10.7% w/v PEG 4000, 21.4% v/v glycerol, 30 mM MgCl2 and 0.1 M bicine/Trizma base pH 8.0	Resolution 2.70 Å R-free 0.226
6O0T Crystal structure of selenomethionine labelled tandem SAM domains (L446M:L505M:L523M mutant) from human SARM1 Deposited 2019-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 409–561（153 aa） Chain B 409–561（153 aa） Chain C 409–561（153 aa） Chain D 409–561（153 aa） Chain E 409–561（153 aa） Chain F 409–561（153 aa） Chain G 409–561（153 aa） Chain H 409–561（153 aa）	Mutation：L446M, L505M, L523M Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L446M, L505M, L523M Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L446M, L505M, L523M Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L446M, L505M, L523M Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L446M, L505M, L523M Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L446M, L505M, L523M Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L446M, L505M, L523M Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：L446M, L505M, L523M Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；17% PEG 8000, 20% ethylene glycol, 0.2 M sodium formate, 0.2 M ammonium acetate, 0.2 M trisodium citrate, 0.2 M sodium potassium L-tartrate, 10 mM DTT and 0.1 M Tris pH 7.9	Resolution 2.80 Å R-free 0.238
6O0U Crystal structure of the TIR domain H685A mutant from human SARM1 Deposited 2019-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 560–700（141 aa）	Mutation：H685A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M HEPES pH 7.5, 0.2 M MgCl2, 25% PEG3350	Resolution 3.03 Å R-free 0.234
6O0U Crystal structure of the TIR domain H685A mutant from human SARM1 Deposited 2019-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 560–700（141 aa）	Mutation：H685A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M HEPES pH 7.5, 0.2 M MgCl2, 25% PEG3350	Resolution 3.03 Å R-free 0.234
6O0V Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 2 Deposited 2019-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 560–700（141 aa）	Mutation：G601P	CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 MES pH 6.0, 0.2 M MgCl2, 20% PEG3350; or 0.1 MES pH 6.0, 1 M LiCl, 20% PEG6000	Resolution 2.07 Å R-free 0.233
6O0V Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 2 Deposited 2019-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 560–700（141 aa）	Mutation：G601P	CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 MES pH 6.0, 0.2 M MgCl2, 20% PEG3350; or 0.1 MES pH 6.0, 1 M LiCl, 20% PEG6000	Resolution 2.07 Å R-free 0.233
6O0V Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 2 Deposited 2019-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 560–700（141 aa）	Mutation：G601P	MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 MES pH 6.0, 0.2 M MgCl2, 20% PEG3350; or 0.1 MES pH 6.0, 1 M LiCl, 20% PEG6000	Resolution 2.07 Å R-free 0.233
6O0V Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 2 Deposited 2019-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 560–700（141 aa）	Mutation：G601P	CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 MES pH 6.0, 0.2 M MgCl2, 20% PEG3350; or 0.1 MES pH 6.0, 1 M LiCl, 20% PEG6000	Resolution 2.07 Å R-free 0.233
6O1B Crystal structure of the TIR domain G601P mutant from human SARM1, crystal form 1 Deposited 2019-02-18	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 560–700（141 aa）	Mutation：G601P	MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 MES pH 6.0, 0.2 M MgCl2, 20% PEG3350; or 0.1 MES pH 6.0, 1 M LiCl, 20% PEG6000	Resolution 1.67 Å R-free 0.231
6QWV SARM1 SAM1-2 domains Deposited 2019-03-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 387–548（162 aa） Chain B 387–548（162 aa） Chain C 387–548（162 aa） Chain D 387–548（162 aa） Chain E 387–548（162 aa） Chain F 387–548（162 aa） Chain G 387–548（162 aa） Chain H 387–548（162 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 17 BME BETA-MERCAPTOETHANOL × 8 PEG DI(HYDROXYETHYL)ETHER × 2 PGE TRIETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；2% Tacsimate pH=7, 5% v/v 2-Propanol, 0.1 M Imidazole pH=7, 8% w/v polyethylene glycol 3350	Resolution 2.47 Å R-free 0.230
6QWV SARM1 SAM1-2 domains Deposited 2019-03-06	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain I 387–548（162 aa） Chain J 387–548（162 aa） Chain K 387–548（162 aa） Chain L 387–548（162 aa） Chain M 387–548（162 aa） Chain N 387–548（162 aa） Chain O 387–548（162 aa） Chain P 387–548（162 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 26 BME BETA-MERCAPTOETHANOL × 8 PEG DI(HYDROXYETHYL)ETHER × 3 PGE TRIETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；293 K；2% Tacsimate pH=7, 5% v/v 2-Propanol, 0.1 M Imidazole pH=7, 8% w/v polyethylene glycol 3350	Resolution 2.47 Å R-free 0.230
6WPK SARM1 Autoinhibited Conformation Deposited 2020-04-27	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 49–724（676 aa） Chain B 49–724（676 aa） Chain C 49–724（676 aa） Chain D 49–724（676 aa） Chain E 49–724（676 aa） Chain F 49–724（676 aa） Chain G 49–724（676 aa） Chain H 49–724（676 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.30 Å
6ZFX hSARM1 GraFix-ed Deposited 2020-06-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 26–724（699 aa） Chain B 26–724（699 aa） Chain C 26–724（699 aa） Chain D 26–724（699 aa） Chain E 26–724（699 aa） Chain F 26–724（699 aa） Chain G 26–724（699 aa） Chain H 26–724（699 aa）	Not recorded	S1N (~{E})-4-methylnon-4-enedial × 16	ELECTRON MICROSCOPY cryo-EM buffer pH 8.8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.88 Å
6ZG0 SARM1 SAM1-2 domains Deposited 2020-06-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 26–724（699 aa） Chain B 26–724（699 aa） Chain C 26–724（699 aa） Chain D 26–724（699 aa） Chain E 26–724（699 aa） Chain F 26–724（699 aa） Chain G 26–724（699 aa） Chain H 26–724（699 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 17 BME BETA-MERCAPTOETHANOL × 8 PEG DI(HYDROXYETHYL)ETHER × 2 PGE TRIETHYLENE GLYCOL × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8.8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 7.70 Å
6ZG1 SARM1 SAM1-2 domains Deposited 2020-06-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 387–548（162 aa） Chain B 387–548（162 aa） Chain C 387–548（162 aa） Chain D 387–548（162 aa） Chain E 387–548（162 aa） Chain F 387–548（162 aa） Chain G 387–548（162 aa） Chain H 387–548（162 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 17 BME BETA-MERCAPTOETHANOL × 8 PEG DI(HYDROXYETHYL)ETHER × 2 PGE TRIETHYLENE GLYCOL × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.77 Å
7ANW hSARM1 NAD+ complex Deposited 2020-10-13	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 26–724（699 aa） Chain B 26–724（699 aa） Chain C 26–724（699 aa） Chain D 26–724（699 aa） Chain E 26–724（699 aa） Chain F 26–724（699 aa） Chain G 26–724（699 aa） Chain H 26–724（699 aa）	Not recorded	NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 8	ELECTRON MICROSCOPY cryo-EM buffer pH 8.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.68 Å
7CM5 Full-length Sarm1 in a self-inhibited state Deposited 2020-07-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa） Chain C 1–724（724 aa） Chain D 1–724（724 aa） Chain E 1–724（724 aa） Chain F 1–724（724 aa） Chain G 1–724（724 aa） Chain H 1–724（724 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.60 Å
7CM6 NAD+-bound Sarm1 in the self-inhibited state Deposited 2020-07-25	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa） Chain C 1–724（724 aa） Chain D 1–724（724 aa） Chain E 1–724（724 aa） Chain F 1–724（724 aa） Chain G 1–724（724 aa） Chain H 1–724（724 aa）	Not recorded	NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 8	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.00 Å
7CM7 NAD+-bound Sarm1 E642A in the self-inhibited state Deposited 2020-07-25	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa） Chain C 1–724（724 aa） Chain D 1–724（724 aa） Chain E 1–724（724 aa） Chain F 1–724（724 aa） Chain G 1–724（724 aa） Chain H 1–724（724 aa）	Mutation：E624A Mutation：E624A Mutation：E624A Mutation：E624A Mutation：E624A Mutation：E624A Mutation：E624A Mutation：E624A	NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 8	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.60 Å
7DJT Human SARM1 inhibitory state bounded with inhibitor dHNN Deposited 2020-11-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 27–724（698 aa） Chain B 27–724（698 aa） Chain C 27–724（698 aa） Chain D 27–724（698 aa） Chain E 27–724（698 aa） Chain F 27–724（698 aa） Chain G 27–724（698 aa） Chain H 27–724（698 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	H8L O3-methyl O5-(2-methylpropyl) 2,6-dimethyl-4-[2-(oxidanylamino)phenyl]pyridine-3,5-dicarboxylate × 8	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE；BLOT TIME: 4S BLOT FORCE: -2	Resolution 2.80 Å
7KNQ SARM1 Octamer Deposited 2020-11-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa） Chain C 1–724（724 aa） Chain D 1–724（724 aa） Chain E 1–724（724 aa） Chain F 1–724（724 aa） Chain G 1–724（724 aa） Chain H 1–724（724 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.40 Å
7LD0 Cryo-EM structure of ligand-free Human SARM1 Deposited 2021-01-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 28–724（697 aa） Chain B 28–724（697 aa） Chain C 28–724（697 aa） Chain D 28–724（697 aa） Chain E 28–724（697 aa） Chain F 28–724（697 aa） Chain G 28–724（697 aa） Chain H 28–724（697 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.10 Å
7NAG Crystal structure of the TIR domain from human SARM1 in complex with 1AD Deposited 2021-06-21	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 560–700（141 aa）	Not recorded	1QD [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis-Tris propane pH 7.0, 0.2 M potassium thiocyanate, and 10% PEG3350	Resolution 1.72 Å R-free 0.175
7NAG Crystal structure of the TIR domain from human SARM1 in complex with 1AD Deposited 2021-06-21	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 560–700（141 aa）	Not recorded	1QD [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis-Tris propane pH 7.0, 0.2 M potassium thiocyanate, and 10% PEG3350	Resolution 1.72 Å R-free 0.175
7NAH Crystal structure of the TIR domain from human SARM1 in complex with 2AD Deposited 2021-06-21	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 560–700（141 aa）	Not recorded	1OF [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{H}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis-Tris propane pH 7.0, 0.2 M potassium thiocyanate, and 10% PEG3350	Resolution 1.79 Å R-free 0.199
7NAH Crystal structure of the TIR domain from human SARM1 in complex with 2AD Deposited 2021-06-21	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 560–700（141 aa）	Not recorded	1OF [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(8-oxidanylidene-7~{H}-2,7-naphthyridin-2-yl)oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis-Tris propane pH 7.0, 0.2 M potassium thiocyanate, and 10% PEG3350	Resolution 1.79 Å R-free 0.199
7NAI Crystal structure of the TIR domain from human SARM1 in complex with 3AD Deposited 2021-06-21	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 560–700（141 aa）	Not recorded	1O4 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis-Tris propane pH 7.0, 0.2 M potassium thiocyanate, and 10% PEG3350	Resolution 1.74 Å R-free 0.197
7NAI Crystal structure of the TIR domain from human SARM1 in complex with 3AD Deposited 2021-06-21	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 560–700（141 aa）	Not recorded	1O4 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis-Tris propane pH 7.0, 0.2 M potassium thiocyanate, and 10% PEG3350	Resolution 1.74 Å R-free 0.197
7NAJ Crystal structure of the TIR domain from human SARM1 in complex with ara-2'F-ADPR Deposited 2021-06-21	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 560–700（141 aa）	Not recorded	1LK 1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-D-arabinitol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis-Tris propane pH 7.0, 0.2 M potassium thiocyanate, and 10% PEG3350	Resolution 1.60 Å R-free 0.227
7NAJ Crystal structure of the TIR domain from human SARM1 in complex with ara-2'F-ADPR Deposited 2021-06-21	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 560–700（141 aa）	Not recorded	1LK 1,4-anhydro-2-deoxy-2-fluoro-5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-D-arabinitol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M Bis-Tris propane pH 7.0, 0.2 M potassium thiocyanate, and 10% PEG3350	Resolution 1.60 Å R-free 0.227
7NAK Cryo-EM structure of activated human SARM1 in complex with NMN and 1AD (TIR:1AD) Deposited 2021-06-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 28–724（697 aa） Chain B 28–724（697 aa） Chain C 28–724（697 aa） Chain D 28–724（697 aa） Chain E 28–724（697 aa） Chain F 28–724（697 aa） Chain G 28–724（697 aa） Chain H 28–724（697 aa）	Not recorded	1QD [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 8	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.90 Å
7NAL Cryo-EM structure of activated human SARM1 in complex with NMN and 1AD (ARM and SAM domains) Deposited 2021-06-21	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 28–724（697 aa） Chain B 28–724（697 aa） Chain C 28–724（697 aa） Chain D 28–724（697 aa） Chain E 28–724（697 aa） Chain F 28–724（697 aa） Chain G 28–724（697 aa） Chain H 28–724（697 aa）	Not recorded	NMN BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE × 8	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.00 Å
7QG0 Inhibitor-induced hSARM1 duplex Deposited 2021-12-07	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 16 PDB declaration: hexadecameric	Chain A 26–724（699 aa） Chain B 26–724（699 aa） Chain C 26–724（699 aa） Chain D 26–724（699 aa） Chain E 26–724（699 aa） Chain F 26–724（699 aa） Chain G 26–724（699 aa） Chain H 26–724（699 aa） Chain I 26–724（699 aa） Chain J 26–724（699 aa） Chain K 26–724（699 aa） Chain L 26–724（699 aa） Chain M 26–724（699 aa） Chain N 26–724（699 aa） Chain O 26–724（699 aa） Chain P 26–724（699 aa）	Mutation：E642Q Mutation：E642Q Mutation：E642Q Mutation：E642Q Mutation：E642Q Mutation：E642Q Mutation：E642Q Mutation：E642Q Mutation：E642Q Mutation：E642Q Mutation：E642Q Mutation：E642Q Mutation：E642Q Mutation：E642Q Mutation：E642Q Mutation：E642Q	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.02 Å
8D0C Human SARM1 TIR domain bound to NB-3-ADPR Deposited 2022-05-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 558–700（143 aa） Fragment：TIR domain Chain B 558–700（143 aa） Fragment：TIR domain	Not recorded	Q1F [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；100 mM Bis-Tris propane pH 6.5, 200 mM potassium thiocyanate, and 15% polyethylene glycol 3350	Resolution 2.09 Å R-free 0.223
8D0D Human SARM1 TIR domain bound to an NB-7-ADPR adduct Deposited 2022-05-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 558–700（143 aa） Fragment：TIR domain Chain B 558–700（143 aa） Fragment：TIR domain	Not recorded	Q0L [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R})-5-[4-[3-[3-(4-chlorophenyl)propanoylamino]-4-methyl-1~{H}-pyrazol-5-yl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；100 mM Bis-Tris propane pH 6.5, 200 mM potassium thiocyanate, and 15% polyethylene glycol 3350	Resolution 1.96 Å R-free 0.233
8D0E Human SARM1 TIR domain bound to NB-7 Deposited 2022-05-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 558–700（143 aa） Fragment：TIR domain Chain B 558–700（143 aa） Fragment：TIR domain	Not recorded	Q0C 3-(4-chlorophenyl)-N-[4-methyl-3-(pyridin-4-yl)-1H-pyrazol-5-yl]propanamide × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；100 mM Bis-Tris propane pH 6.5, 200 mM potassium thiocyanate, and 15% polyethylene glycol 3350	Resolution 1.88 Å R-free 0.228
8D0F Human SARM1 TIR domain bound to NB-2-ADPR Deposited 2022-05-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 558–700（143 aa） Fragment：TIR domain Chain B 558–700（143 aa） Fragment：TIR domain	Not recorded	Q0U [[(3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]methyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；100 mM Bis-Tris propane pH 6.5, 200 mM potassium thiocyanate, and 15% polyethylene glycol 3350	Resolution 1.74 Å R-free 0.253
8D0G Human SARM1 TIR domain bound to NB-3-ADPRP Deposited 2022-05-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 558–700（143 aa） Fragment：TIR domain Chain B 558–700（143 aa） Fragment：TIR domain	Not recorded	Q1X [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；100 mM Bis-Tris propane pH 6.5, 200 mM potassium thiocyanate, and 15% polyethylene glycol 3350	Resolution 1.99 Å R-free 0.238
8D0H Human SARM1 TIR domain bound to NB-3-GDPR Deposited 2022-05-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 558–700（143 aa） Fragment：TIR domain Chain B 558–700（143 aa） Fragment：TIR domain	Not recorded	Q1O [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；100 mM Bis-Tris propane pH 6.5, 200 mM potassium thiocyanate, and 15% polyethylene glycol 3350	Resolution 2.37 Å R-free 0.281
8D0I Human SARM1 bound to an NB-3 eADPR adduct Deposited 2022-05-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 558–700（143 aa） Chain B 558–700（143 aa）	Not recorded	PZ7 [[(2~{R},3~{S},4~{R},5~{R})-5-imidazo[2,1-f]purin-3-yl-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[methyl-[2,2,2-tris(fluoranyl)ethylcarbamoyl]amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；291.15 K；100 mM Bis-Tris propane pH 6.5, 200 mM potassium thiocyanate, and 15% polyethylene glycol 3350	Resolution 2.00 Å R-free 0.216
8D0J Apo Human SARM1 TIR domain Deposited 2022-05-26	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 558–700（143 aa） Fragment：TIR domain Chain B 558–700（143 aa） Fragment：TIR domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298.15 K；100 mM Bis-Tris propane pH 6.5, 200 mM potassium thiocyanate, and 15% polyethylene glycol 3350	Resolution 1.94 Å R-free 0.227
8GNI Human SARM1 bounded with NMN and Nanobody-C6, Conformation 1 Deposited 2022-08-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–724（724 aa） Chain B 1–724（724 aa）	Not recorded	NMN BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE；Blot time: 4s Blot force: -2	Resolution 3.74 Å
8GNJ Human SARM1 bounded with NMN and Nanobody-C6, Conformation 2 Deposited 2022-08-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 1–724（724 aa） Chain B 1–724（724 aa）	Not recorded	NMN BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE；Blot time: 4s Blot force: -2	Resolution 3.78 Å
8GQ5 Human SARM1 bounded with NMN and Nanobody-C6, double-layer structure Deposited 2022-08-29	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 32 PDB declaration: 32-meric	Chain A 1–724（724 aa） Chain B 1–724（724 aa） Chain C 1–724（724 aa） Chain D 1–724（724 aa） Chain E 1–724（724 aa） Chain F 1–724（724 aa） Chain G 1–724（724 aa） Chain H 1–724（724 aa） Chain I 1–724（724 aa） Chain J 1–724（724 aa） Chain K 1–724（724 aa） Chain L 1–724（724 aa） Chain M 1–724（724 aa） Chain N 1–724（724 aa） Chain O 1–724（724 aa） Chain P 1–724（724 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE；Blot time: 4s Blot force: -2	Resolution 2.70 Å
8P2L A CHIMERA construct containing human SARM1 ARM and SAM domains and C. elegans TIR domain. Deposited 2023-05-16	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 16 PDB declaration: hexadecameric	Chain A 26–562（537 aa） Chain B 26–562（537 aa） Chain C 26–562（537 aa） Chain D 26–562（537 aa） Chain E 26–562（537 aa） Chain F 26–562（537 aa） Chain G 26–562（537 aa） Chain H 26–562（537 aa） Chain I 26–562（537 aa） Chain J 26–562（537 aa） Chain K 26–562（537 aa） Chain L 26–562（537 aa） Chain M 26–562（537 aa） Chain N 26–562（537 aa） Chain O 26–562（537 aa） Chain P 26–562（537 aa）	Not recorded	NAD NICOTINAMIDE-ADENINE-DINUCLEOTIDE × 8	ELECTRON MICROSCOPY cryo-EM buffer pH 8.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.68 Å
9HQ0 SARM1 TIR domain in complex with compound 7-ADPR Deposited 2024-12-16	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 558–700（143 aa） Chain B 558–700（143 aa）	Not recorded	A1IW3 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S})-1-[[(3~{R})-4,4-bis(fluoranyl)oxolan-3-yl]carbamoyl-methyl-amino]ethyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 2 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；of 0.1 M Bis-Tris propane pH 6.5, 14-18% (w/v) PEG 3350 and 0.30-0.45 M potassium thiocyanate	Resolution 2.13 Å R-free 0.241
9HQF SARM1 TIR domain in complex with compound 7-ADPR Deposited 2024-12-16	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 558–700（143 aa） Chain B 558–700（143 aa）	Not recorded	A1IWL [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[(5~{S})-5-[[(3~{R})-4,4-bis(fluoranyl)oxolan-3-yl]carbamoyl-methyl-amino]-2,3,4,5-tetrahydrooxepino[2,3-c]pyridin-8-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Bis-Tris propane pH 6.5, 14-18% (w/v) PEG 3350 and 0.30-0.45 M potassium thiocyanate	Resolution 1.73 Å R-free 0.256
9HQH SARM1 TIR domain in complex with compound 28-ADPR Deposited 2024-12-16	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 558–700（143 aa） Chain B 558–700（143 aa）	Not recorded	A1IWN [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{R})-1-[[(3~{R})-4,4-bis(fluoranyl)oxolan-3-yl]carbamoyl-methyl-amino]-2-phenoxy-ethyl]pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Bis-Tris propane pH 6.5, 14-18% (w/v) PEG 3350 and 0.30-0.45 M potassium thiocyanate	Resolution 1.99 Å R-free 0.241
9L2D Structure of SARM1 bound to M1 in the intermediate state 1 Deposited 2024-12-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa） Chain C 1–724（724 aa） Chain D 1–724（724 aa） Chain E 1–724（724 aa） Chain F 1–724（724 aa） Chain G 1–724（724 aa） Chain H 1–724（724 aa）	Not recorded	A1EIV [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(3-sulfanylpyridin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate × 8	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.83 Å
9L2E Structure of SARM1 bound to M1 in the intermediate state 2 Deposited 2024-12-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa） Chain C 1–724（724 aa） Chain D 1–724（724 aa） Chain E 1–724（724 aa） Chain F 1–724（724 aa） Chain G 1–724（724 aa） Chain H 1–724（724 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.46 Å
9L2F Structure of SARM1 bound to M1 and 1AD in the active state Deposited 2024-12-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa） Chain C 1–724（724 aa） Chain D 1–724（724 aa） Chain E 1–724（724 aa） Chain F 1–724（724 aa） Chain G 1–724（724 aa） Chain H 1–724（724 aa）	Not recorded	A1EIV [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(3-sulfanylpyridin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate × 8	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.55 Å
9L2G Structure of SARM1 2C-mutant bound to M1 Deposited 2024-12-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa） Chain C 1–724（724 aa） Chain D 1–724（724 aa） Chain E 1–724（724 aa） Chain F 1–724（724 aa） Chain G 1–724（724 aa） Chain H 1–724（724 aa）	Not recorded	A1EIV [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-(3-sulfanylpyridin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate × 8	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.27 Å
9MW1 Structure of SARM1 TIR domain bound to G8758 Deposited 2025-01-16	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 560–700（141 aa） Chain B 560–700（141 aa）	Not recorded	A1BTS [(2~{R},3~{S},4~{R},5~{R})-5-[4-[5-[(6~{R})-6-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanylidene-1,3-oxazinan-3-yl]-1~{H}-pyrazol-3-yl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；100mM bis-tris propane pH 6.5-7.5, 0.2-0.6M potassium thiocyanate, and 12-20% PEG3350	Resolution 2.10 Å R-free 0.297
9MW2 Structure of SARM1 TIR domain bound to G6831 Deposited 2025-01-16	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 560–700（141 aa） Chain B 560–700（141 aa）	Not recorded	A1BU7 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[3-[(4~{S})-4-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanylidene-piperidin-1-yl]-1-bicyclo[1.1.1]pentanyl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；100mM bis-tris propane pH 6.5-7.5, 0.2-0.6M potassium thiocyanate, and 12-20% PEG3350	Resolution 1.75 Å R-free 0.222
9MW3 Structure of SARM1 TIR domain bound to G2756 Deposited 2025-01-16	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 560–700（141 aa） Chain B 560–700（141 aa）	Not recorded	A1BTR [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-[5-[(4~{S})-4-(4-fluorophenyl)-2-oxidanylidene-piperidin-1-yl]pyridin-2-yl]pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；100mM bis-tris propane pH 6.5-7.5, 0.2-0.6M potassium thiocyanate, and 12-20% PEG3350	Resolution 1.93 Å R-free 0.200
9TZW SARM1 TIR with BEXi adduct 6 Deposited 2026-01-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 560–700（141 aa） Chain B 560–700（141 aa） Chain C 560–700（141 aa） Chain D 560–700（141 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions	Resolution 3.30 Å
9TZY SARM1 TIR with BEXi adduct 17 Deposited 2026-01-25	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric	Chain A 560–700（141 aa） Chain B 560–700（141 aa） Chain C 560–700（141 aa） Chain D 560–700（141 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY mmCIF provides none of the parsed conditions	Resolution 2.94 Å
9UGA SARM1 senses DNA to promote NAD degradation Deposited 2025-04-11	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 28–724（697 aa） Chain B 28–724（697 aa） Chain C 28–724（697 aa） Chain D 28–724（697 aa） Chain E 28–724（697 aa） Chain F 28–724（697 aa） Chain G 28–724（697 aa） Chain H 28–724（697 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.06 Å
9UGJ Structure of SARM1 bound to SIR3-ADPR Deposited 2025-04-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa） Chain C 1–724（724 aa） Chain D 1–724（724 aa） Chain E 1–724（724 aa） Chain F 1–724（724 aa） Chain G 1–724（724 aa） Chain H 1–724（724 aa）	Not recorded	A1EO4 [[(2~{S},3~{R},4~{S},5~{S})-5-(4-azanylimidazo[4,5-d]pyridazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[4-methyl-3-(2-oxidanylidene-3~{H}-1,3-benzoxazol-6-yl)pyridin-1-ium-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 8	ELECTRON MICROSCOPY cryo-EM buffer pH 7.4 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.85 Å

54 other PDB entries and 67 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	SARM1_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–143； UniProt 558–700 Author chain B； PDBConstruct 1–143； UniProt 558–700

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	10rb
Deposition date deposition_date	2026-02-02
Structure title title	Human SARM1 TIR domain bound to compound 14
Keywords keywords	Hydrolase, inhibitor, adduct, NAD; HYDROLASE
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	21.23 Å
Radius of gyration Rg (electron density) rg_electron	20.46 Å
Forward intensity I(0) i0	36697800.00
Molecular weight molecular_weight	31434.0 kDa
Excluded volume excluded_volume	30486 Å³
Envelope volume envelope_volume	50240 Å³
Hydration-shell volume shell_volume	20704 Å³
Envelope diameter envelope_diameter	69.5 Å
Shell Rg shell_rg	26.50 Å
Envelope Rg envelope_rg	20.56 Å
Shape Rg shape_rg	20.40 Å
Total Rg total_rg	21.16 Å
Total atoms total_atoms	2378
Residues n_residues	280
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	66.3 Å
Rg (real space) rg_real	21.19 Å
Rg uncertainty (real space) rg_real_error	0.34 Å
I(0) (real space) i0_real	3.6700e+07
I(0) uncertainty (real space) i0_real_error	4.4180e+05
Rg (reciprocal space) rg_reciprocal	21.20 Å
I(0) (reciprocal space) i0_reciprocal	36700000.0000
Solution quality estimate total_estimate	0.9049
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	23.4 Å
Skewness Skewness skewness	0.292
Kurtosis Kurtosis kurtosis	-0.521
Angular range angular_range	— – 0.3750 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	11230000.0000
Real-space data points n_real_points	69
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.926; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.985

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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	NAD(+) hydrolase SARM1
Molecular weight formula_weight	16205.6 kDa
EC 编号 ec_number	3.2.2.6,3.2.2.-
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	2480

SGDTPDVFISYRRNSGSQLASLLKVHLQLHGFSVFIDVEKLEAGKFEDKLIQSVMGARNFVLVLSPGALDKCMQDHDCKDWVHKEIVTALSCGKNIVPIIDGFEWPEPQVLPEDMQAVLTFNGIKWSHEYQEATIEKIIRFLQ

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	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	;1-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-4-[(6P)-7-{[2-(dimethylamino)ethyl]amino}-6-(5-fluoro-1H-indol-2-yl)-1-methyl-1H-imidazo[4,5-c]pyridin-2-yl]pyridin-1-ium (non-preferred name) ;
Molecular weight formula_weight	971.8 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 3 Entity 3 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	102

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8. Citations (1)

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Unit-cell length a length_a	33.158 Å
Unit-cell length b length_b	85.766 Å
Unit-cell length c length_c	115.625 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 2 21 21
Space-group number int_tables_number	18
Crystal system crystal_system	—

Resolution resolution	2.050 Å
Low-resolution limit resolution_low	47.940 Å
R factor r_factor	—
R_work r_work	0.2094
R_free r_free	0.2541

fit	/app/data/saxs_computation/0r/10rb/10rb.fit
pddf	/app/data/pr_computation/0r/10rb/10rb.pr.out
profile	/app/data/saxs_computation/0r/10rb/10rb.dat