9YU2

Crystal structure of evolved dirhodium artificial metalloenzyme 6A from Pfu POP for selective NH insertion

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Engineered Metalloenzyme 6A	polymer	624	71762.1	2	UniProt (Q51714)	Pyrococcus furiosus
2	C, E (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL) PubChem (312)
3	D (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA) PubChem (923)
4	F, G (A, B)	water	water		18.0	519	Chemie (HOH)

Sequence modifications

A, B: 1 - 616 (UniProt: Q51714)

PDB	External Database	Details
Arg 98	Gln 98	engineered mutation
Phe 99	Gly 99	engineered mutation
Ala 104	Glu 104	engineered mutation
Arg 119	Asp 119	engineered mutation
Tyr 142	Trp 142	engineered mutation
Ala 146	Phe 146	engineered mutation
Glu 194	Phe 194	engineered mutation
Ala 199	Lys 199	engineered mutation
Ala 202	Asp 202	engineered mutation
Val 209	Thr 209	engineered mutation
Tyr 214	Trp 214	engineered mutation
Gly 301	Ser 301	engineered mutation
His 326	Tyr 326	engineered mutation
His 328	Leu 328	engineered mutation
Ser 401	Tyr 401	engineered mutation
Leu 464	Arg 464	engineered mutation
Phe 477	Ser 477	engineered mutation
Ala 478	Asn 478	engineered mutation
Leu 617	-	expression tag
Glu 618	-	expression tag
His 619	-	expression tag
His 620	-	expression tag
His 621	-	expression tag
His 622	-	expression tag
His 623	-	expression tag
His 624	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	143524.2
Non-Polymers*	Number of molecules	3
	Total formula weight	93.9
All*	Total formula weight	143618.1

*Water molecules are not included.