9HQ0

SARM1 TIR domain in complex with compound 7-ADPR

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	NAD(+) hydrolase SARM1	polymer	148	16550.9	2	UniProt (Q6SZW1) Pfam (PF13676)	Homo sapiens (human)	NADase SARM1,hSARM1,NADP(+) hydrolase SARM1,Sterile alpha and Armadillo repeat protein,Sterile alpha and TIR motif-containing protein 1,Sterile alpha motif domain-containing protein 2,MyD88-5,SAM domain-containing protein 2,Tir-1 homolog,HsTIR
2	C, D (A, B)	[[(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	non-polymer		827.6	2	Chemie (A1IW3)
3	E (B)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	F, G (A, B)	water	water		18.0	187	Chemie (HOH)

Sequence modifications

A, B: 558 - 700 (UniProt: Q6SZW1)

PDB	External Database	Details
Gly 553	-	expression tag
Gly 554	-	expression tag
Ser 555	-	expression tag
Ser 556	-	expression tag
Gly 557	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	33101.8
Non-Polymers*	Number of molecules	3
	Total formula weight	1717.3
All*	Total formula weight	34819.0

*Water molecules are not included.