8T5B

HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor EKC-110

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Integrase	polymer	155	17011.5	2	UniProt (P12497) In PDB	Human immunodeficiency virus 1	IN
2	C, D	Integrase	polymer	57	6574.6	2	UniProt (P12497) In PDB	Human immunodeficiency virus 1	IN
3	A, B	(2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid	non-polymer		481.0	2	Chemie (QD6)
4	A, B	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5		water	water		18.0	82	Chemie (HOH)

Sequence modifications

A, B: 57 - 211 (UniProt: P12497)

PDB	External Database	Details
Lys 185	Phe 1332	conflict

C, D: 221 - 277 (UniProt: P12497)

PDB	External Database	Details
Glu 243	Trp 1390	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	47172.2
Non-Polymers*	Number of molecules	4
	Total formula weight	1010.6
All*	Total formula weight	48182.7

*Water molecules are not included.