6FX7

Crystal structure of in vitro evolved Af1521

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	[Protein ADP-ribosylglutamate] hydrolase AF_1521	polymer	215	23575.9	1	UniProt (O28751) Pfam (PF01661)	Archaeoglobus fulgidus DSM 4304
2	B (A)	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	non-polymer		559.3	1	Chemie (AR6)
3	C (A)	water	water		18.0	100	Chemie (HOH)

Sequence modifications

A: 1 - 192 (UniProt: O28751)

PDB	External Database	Details
Met -22	-	initiating methionine
Gly -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
His -7	-	expression tag
Ile -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Lys -1	-	expression tag
His 0	-	expression tag
Arg 15	Lys 15	engineered mutation
Glu 35	Lys 35	engineered mutation
Cys 74	Tyr 74	engineered mutation
Leu 97	Phe 97	engineered mutation
Val 103	Ile 103	engineered mutation
Gly 105	Ser 105	engineered mutation
Gly 110	Glu 110	engineered mutation
Arg 145	Tyr 145	engineered mutation
Asp 162	Asn 162	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	23575.9
Non-Polymers*	Number of molecules	1
	Total formula weight	559.3
All*	Total formula weight	24135.3

*Water molecules are not included.