7KXS

Computational design of constitutively active cGAS

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Cyclic GMP-AMP synthase	polymer	362	42414.1	2	UniProt (Q8C6L5) Pfam (PF03281) Pfam (PF20266) In PDB	Mus musculus	m-cGAS,2'3'-cGAMP synthase,Mab-21 domain-containing protein 1
2	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3		water	water		18.0	36	Chemie (HOH)

Sequence modifications

A, B: 147 - 507 (UniProt: Q8C6L5)

PDB	External Database	Details
Ser 146	-	expression tag
Asp 160	Lys 160	engineered mutation
Pro 161	Arg 161	engineered mutation
Phe 196	Asn 196	engineered mutation
Val 197	Thr 197	engineered mutation
Ile 200	Tyr 200	engineered mutation
Lys 203	His 203	engineered mutation
Met 395	Lys 395	engineered mutation
Met 399	Lys 399	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	84828.2
Non-Polymers*	Number of molecules	2
	Total formula weight	130.8
All*	Total formula weight	84959.0

*Water molecules are not included.