6BJO

PICK1 PDZ domain in complex with the small molecule inhibitor BIO124.

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	(2S)-({4-(4-bromophenyl)-1-[1-(tert-butoxycarbonyl)-L-prolyl]piperidine-4-carbonyl}amino)(cyclopentyl)acetic acid	non-polymer		606.5	2	Chemie (DUY)
3		water	water		18.0	160	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	1213.1
All*	Total formula weight	28293.9

*Water molecules are not included.