8CTA

Minimal 2:2 Ternary Complex between BI-224436 bound HIV-1 Integrase Catalytic Core Domain Dimer and Carboxy Terminal Domains

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, E, F, I...	Integrase	polymer	161	17580.0	8	UniProt (Q72498) Pfam (PF00665) UniProt (by SIFTS) (P12497) In PDB	Human immunodeficiency virus 1
2	C, D, G, H, K...	Integrase	polymer	53	6228.2	8	UniProt (Q72498) Pfam (PF00552) UniProt (by SIFTS) (P12497) In PDB	Human immunodeficiency virus 1
3	F, I, J, A, B...	(2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid	non-polymer		442.5	8	Chemie (L3D)
4	E, F, G, H, I...	1,2-ETHANEDIOL	non-polymer		62.1	27	Chemie (EDO)
5		water	water		18.0	65	Chemie (HOH)

Sequence modifications

A, B, E, F, I, J, M, N: 51 - 210 (UniProt: Q72498)

PDB	External Database	Details
Gly 50	-	expression tag
Lys 185	Phe 900	engineered mutation

C, D, G, H, K, L, O, P: 220 - 271 (UniProt: Q72498)

PDB	External Database	Details
Gly 219	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	16
	Total formula weight	190466.1
Non-Polymers*	Number of molecules	35
	Total formula weight	5215.9
All*	Total formula weight	195682.0

*Water molecules are not included.