9CY3

Outward-facing Atorvastatin-bound OATP1B1 with sybody Sb5

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Solute carrier organic anion transporter family member 1B1	polymer	717	79881.0	1	UniProt (Q9Y6L6) Pfam (PF03137) Pfam (PF07648)	Homo sapiens (human)	SLCO1B1,Liver-specific organic anion transporter 1,LST-1,OATP-C,Organic anion transporter SLC21A6,Sodium-independent organic anion-transporting polypeptide 2,OATP-2,Solute carrier family 21 member 6
2	B (B)	Sybody 5	polymer	144	15885.5	1		synthetic construct
3	C (A)	7-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID	non-polymer		558.6	1	Chemie (117)

Sequence modifications

A: 1 - 691 (UniProt: Q9Y6L6)

PDB	External Database	Details
Met -25	-	initiating methionine
His -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
Asp -14	-	expression tag
Tyr -13	-	expression tag
Lys -12	-	expression tag
Asp -11	-	expression tag
Asp -10	-	expression tag
Asp -9	-	expression tag
Asp -8	-	expression tag
Lys -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	95766.5
Non-Polymers*	Number of molecules	1
	Total formula weight	558.6
All*	Total formula weight	96325.1

*Water molecules are not included.