5CYM

HIV-1 reverse transcriptase complexed with 4-iodopyrazole

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	HIV-1 reverse transcriptase, p66 subunit	polymer	557	63989.2	1	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075)	Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1)	p66 RT
2	B (B)	HIV-1 reverse transcriptase, p51 subunit	polymer	428	50039.5	1	UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815)	Human immunodeficiency virus type 1 group M subtype B (isolate BH10) (HIV-1)	p51 RT
3	C (A)	4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile	non-polymer		366.4	1	Chemie (T27)
4	D, E, F, V (A, B)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
5	G, H, W, X (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
6	AA, BA, I, J, K... (B, A)	IODIDE ION	non-polymer		126.9	14	Chemie (IOD)
7	CA, DA, EA, FA, S... (B, A)	4-IODOPYRAZOLE	non-polymer		194.0	6	Chemie (PYZ)
8	GA, HA, IA, JA, U (B, A)	DIMETHYL SULFOXIDE	non-polymer		78.1	5	Chemie (DMS)
9	KA, LA (A, B)	water	water		18.0	236	Chemie (HOH)

Sequence modifications

A: 1 - 555 (UniProt: P03366)

PDB	External Database	Details
Met -1	-	expression tag
Val 0	-	expression tag
Ala 172	Lys 771	engineered mutation
Ala 173	Lys 772	engineered mutation
Ser 280	Cys 879	engineered mutation

B: 1 - 428 (UniProt: P03366)

PDB	External Database	Details
Ser 280	Cys 879	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	114028.7
Non-Polymers*	Number of molecules	34
	Total formula weight	4330.1
All*	Total formula weight	118358.8

*Water molecules are not included.