9J2W

Human cGAS catalytic domain bound with XL-3156

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)	Cyclic GMP-AMP synthase	polymer	366	42759.3	2	UniProt (Q8N884) Pfam (PF03281) Pfam (PF20266)	Homo sapiens (human)	cGAMP synthase,cGAS,h-cGAS,2'3'-cGAMP synthase,Mab-21 domain-containing protein 1
2	C, E (A, B)	2-(1~{H}-benzimidazol-2-yl)-4-[[1-(1~{H}-benzimidazol-2-yl)-3-methyl-5-oxidanyl-pyrazol-4-yl]-pyridin-2-yl-methyl]-5-methyl-pyrazol-3-ol	non-polymer		517.5	2	Chemie (A1EAH)
3	D, F (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	G, H (A, B)	water	water		18.0	70	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	85518.5
Non-Polymers*	Number of molecules	4
	Total formula weight	1165.9
All*	Total formula weight	86684.4

*Water molecules are not included.