1L3R

Crystal Structure of a Transition State Mimic of the Catalytic Subunit of cAMP-dependent Protein Kinase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	E	CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT	polymer	350	40817.3	1	UniProt (P05132) Pfam (PF00069) In PDB	Mus musculus (house mouse)	PKA C-ALPHA
2	I	CAMP-DEPENDENT PROTEIN KINASE INHIBITOR, MUSCLE/BRAIN FORM	polymer	20	2199.4	1	UniProt (P27776) UniProt (by SIFTS) (P63249) In PDB		PKI-ALPHA
3	E	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	E	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
5	E	ALUMINUM FLUORIDE	non-polymer		84.0	1	Chemie (AF3)
6	E	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
7		water	water		18.0	233	Chemie (HOH)

Sequence modifications

E: 1 - 350 (UniProt: P05132)

PDB	External Database	Details
Sep 10	Ser 10	modified residue
Sep 139	Ser 139	modified residue
Tpo 197	Thr 197	modified residue
Sep 338	Ser 338	modified residue

I: 5 - 24 (UniProt: P27776)

PDB	External Database	Details
Ala 20	Asn 20	engineered mutation
Ser 21	Ala 21	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	43016.7
Non-Polymers*	Number of molecules	5
	Total formula weight	678.0
All*	Total formula weight	43694.6

*Water molecules are not included.