4BVW

Identification of small molecule inhibitors selective for apo(a) kringles KIV-7, KIV-10 and KV.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	APOLIPOPROTEIN(A)	polymer	98	11296.5	2	UniProt (P08519) Pfam (PF00051) In PDB	HOMO SAPIENS (HUMAN)	APO(A), LP(A), APOLIPOPROTEIN A
2	A, B	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
3	A, B	1,2,3,4-tetrahydroisoquinoline-6-carboxylic acid	non-polymer		177.2	2	Chemie (HKY)
4	B	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5		water	water		18.0	112	Chemie (HOH)

Sequence modifications

A, B: 0 - 78 (UniProt: P08519)

PDB	External Database	Details
Ser -19	-	expression tag
Ile -18	-	expression tag
Ala -17	-	expression tag
Ala -16	-	expression tag
Lys -15	-	expression tag
Glu -14	-	expression tag
Glu -13	-	expression tag
Gly -12	-	expression tag
Val -11	-	expression tag
Ser -10	-	expression tag
Leu -9	-	expression tag
Glu -8	-	expression tag
Lys -7	-	expression tag
Arg -6	-	expression tag
Ser -5	-	expression tag
Ile -4	-	expression tag
Ala -3	-	expression tag
Arg -2	-	expression tag
Ser -1	-	expression tag
Ala 74	Asn 3855	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	22592.9
Non-Polymers*	Number of molecules	7
	Total formula weight	558.3
All*	Total formula weight	23151.2

*Water molecules are not included.