8AQX

streptavidin mutant S112I with an iridium catalyst for CH activation

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Streptavidin	polymer	158	16464.9	4	UniProt (P22629) Pfam (PF01382) In PDB	Streptomyces avidinii
2	A, B, C, D	tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate	non-polymer		847.5	4	Chemie (NOF)
3		water	water		18.0	181	Chemie (HOH)

Sequence modifications

A, B, C, D: 14 - 159 (UniProt: P22629)

PDB	External Database	Details
Ala 2	-	expression tag
Ser 3	-	expression tag
Met 4	-	expression tag
Thr 5	-	expression tag
Gly 6	-	expression tag
Gly 7	-	expression tag
Gln 8	-	expression tag
Gln 9	-	expression tag
Met 10	-	expression tag
Gly 11	-	expression tag
Arg 12	-	expression tag
Asp 13	-	expression tag
Ile 112	Ser 136	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	65859.6
Non-Polymers*	Number of molecules	4
	Total formula weight	3389.9
All*	Total formula weight	69249.5

*Water molecules are not included.