6AR4

Crystal structure of PICK1 in complex with the small molecule inhibitor 1o

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	PRKCA-binding protein	polymer	125	13540.4	2	UniProt (Q9NRD5) Pfam (PF00595) In PDB	Homo sapiens (Human)	Protein interacting with C kinase 1,Protein kinase C-alpha-binding protein
2	A, B	N-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-L-alanine	non-polymer		553.4	2	Chemie (BQA)
3		water	water		18.0	247	Chemie (HOH)

Sequence modifications

A, B: 1 - 105 (UniProt: Q9NRD5)

PDB	External Database	Details
Met -15	-	expression tag
Gly -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Leu -5	-	expression tag
Val -4	-	expression tag
Pro -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Gln 106	-	expression tag
Ser 107	-	expression tag
Ala 108	-	expression tag
Val 109	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	27080.8
Non-Polymers*	Number of molecules	2
	Total formula weight	1106.8
All*	Total formula weight	28187.6

*Water molecules are not included.