3DGS

Changing the determinants of protein stability from covalent to non-covalent interactions by in-vitro evolution: a structural and energetic analysis

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Coat protein A	polymer	227	24776.0	2	UniProt (P03661) Pfam (PF05357) In PDB	Bacteriophage fd	G3P
2		water	water		18.0	258	Chemie (HOH)

Sequence modifications

A, B: 1 - 217 (UniProt: P03661)

PDB	External Database	Details
Met 0	-	initiating methionine
Ser 7	Cys 25	engineered mutation
Ser 11	Pro 29	engineered mutation
Ile 13	Thr 31	engineered mutation
Gly 15	Asn 33	engineered mutation
Trp 29	Arg 47	engineered mutation
Ile 36	Cys 54	engineered mutation
Lys 39	Asn 57	engineered mutation
Ile 46	Cys 64	engineered mutation
Val 53	Cys 71	engineered mutation
Ala 55	Gly 73	engineered mutation
Ile 56	Thr 74	engineered mutation
Val 60	Ile 78	engineered mutation
Ile 101	Thr 119	engineered mutation
His 129	Gln 147	engineered mutation
Gly 138	Asn 156	engineered mutation
Val 188	Cys 206	engineered mutation
Leu 199	Phe 217	engineered mutation
Ala 201	Cys 219	engineered mutation
Leu 207	Ser 225	engineered mutation
Tyr 209	Asp 227	engineered mutation
Pro 218	-	expression tag
Ser 219	-	expression tag
Gly 220	-	expression tag
His 221	-	expression tag
His 222	-	expression tag
His 223	-	expression tag
His 224	-	expression tag
His 225	-	expression tag
His 226	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	49551.9
All*	Total formula weight	49551.9

*Water molecules are not included.