7SSB

Co-structure of PKG1 regulatory domain with compound 33

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	cGMP-dependent protein kinase 1	polymer	268	30466.9	1	UniProt (Q13976) Pfam (PF00027)	Homo sapiens (Human)	cGK 1,cGK1,cGMP-dependent protein kinase I,cGKI
2	B (A)	4-({(2S,3S)-3-[(1S)-1-(3,5-dichlorophenyl)-2-hydroxyethoxy]-2-phenylpiperidin-1-yl}methyl)-3-nitrobenzoic acid	non-polymer		545.4	1	Chemie (B4I)
3	C (A)	water	water		18.0	155	Chemie (HOH)

Sequence modifications

A: 93 - 343 (UniProt: Q13976)

PDB	External Database	Details
Met 76	-	initiating methionine
Ala 77	-	expression tag
His 78	-	expression tag
His 79	-	expression tag
His 80	-	expression tag
His 81	-	expression tag
His 82	-	expression tag
His 83	-	expression tag
His 84	-	expression tag
His 85	-	expression tag
Glu 86	-	expression tag
Asn 87	-	expression tag
Leu 88	-	expression tag
Tyr 89	-	expression tag
Phe 90	-	expression tag
Gln 91	-	expression tag
Ser 92	-	expression tag
Ser 218	Arg 203	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	30466.9
Non-Polymers*	Number of molecules	1
	Total formula weight	545.4
All*	Total formula weight	31012.3

*Water molecules are not included.