3WNF

Cyclic hexapeptide CKIDNC in complex with HIV-1 integrase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Gag-Pol polyprotein	polymer	157	17101.4	2	UniProt (P12497) Pfam (PF00665) In PDB	Human immunodeficiency virus type 1 (HIV-1)	HIV-1 integrase
2	C, D	CKIDNC peptide	polymer	8	719.9	2	BIRD (PRD_001212)
3	A, B	CADMIUM ION	non-polymer		112.4	4	Chemie (CD)
4	A, B	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	A, B	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
6		water	water		18.0	148	Chemie (HOH)

Sequence modifications

A, B: 56 - 212 (UniProt: P12497)

PDB	External Database	Details
Ser 56	Cys 1203	engineered mutation
Gly 123	Ser 1270	engineered mutation
Ala 124	Thr 1271	engineered mutation
Arg 127	Lys 1274	engineered mutation
Asp 131	Trp 1278	engineered mutation
Asp 139	Phe 1286	engineered mutation
His 185	Phe 1332	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	35642.5
Non-Polymers*	Number of molecules	12
	Total formula weight	1096.9
All*	Total formula weight	36739.5

*Water molecules are not included.