7M6U

Crystal structure of a circular permutation and computationally designed pro-enzyme of carboxypeptidase G2

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 (A, B, C, D)	Carboxypeptidase G2 circular permuation pro-domain fusion	polymer	446	47217.3	4	UniProt (P06621) Pfam (PF01546) Pfam (PF07687)	Pseudomonas sp. (strain RS-16)	CPDG2,Folate hydrolase G2,Glutamate carboxypeptidase,Pteroylmonoglutamic acid hydrolase G2
2	E, F, G, H, I... (A, B, C, D)	ZINC ION	non-polymer		65.4	20	Chemie (ZN)
3	L (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4	AA, BA, CA, Z (B, C, D, A)	water	water		18.0	132	Chemie (HOH)

Sequence modifications

A, B, C, D: -2 - 324 (UniProt: P06621)

PDB	External Database	Details
Met -25	-	initiating methionine
Gly -24	-	expression tag
Ser -23	-	expression tag
Ser -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
Gly -13	-	expression tag
Leu -12	-	expression tag
Val -11	-	expression tag
Pro -10	-	expression tag
Arg -9	-	expression tag
Gly -8	-	expression tag
Ser -7	-	expression tag
His -6	-	expression tag
Met -5	-	expression tag
Gly -4	-	expression tag
Ser -3	-	expression tag
Ala 86	Lys 177	engineered mutation

A, B, C, D: 329 - 392 (UniProt: P06621)

PDB	External Database	Details
Gly 325	-	linker
Thr 326	-	linker
Ala 327	-	linker
Ser 328	-	linker

A, B, C, D: 393 - 420 (PDB: 7M6U)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	188869.1
Non-Polymers*	Number of molecules	21
	Total formula weight	1404.2
All*	Total formula weight	190273.4

*Water molecules are not included.