3CKA

The crystal structure of OspA mutant

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Outer surface protein A	polymer	320	34692.6	2	UniProt (D2Y4L7) UniProt (Q45040) Pfam (PF00820) UniProt (by SIFTS) (D0VWU8) In PDB	Borreliella burgdorferi (Lyme disease spirochete)
2	A, B	PENTAETHYLENE GLYCOL	non-polymer		238.3	7	Chemie (1PE)
3		water	water		18.0	517	Chemie (HOH)

Sequence modifications

A, B: 27 - 141 (UniProt: D2Y4L7)

PDB	External Database	Details
Gly 23	-	expression tag
Ser 24	-	expression tag
His 25	-	expression tag
Met 26	-	expression tag
Ser 37	Glu 37	engineered mutation
Ser 45	Glu 45	engineered mutation
Ser 46	Lys 46	engineered mutation
Ala 48	Lys 48	engineered mutation
Ala 60	Lys 60	engineered mutation
Ser 64	Lys 64	engineered mutation
Ala 83	Lys 83	engineered mutation
Ser 104	Glu 104	engineered mutation
Ser 107	Lys 107	engineered mutation
Tyr 123	Glu 123	engineered mutation
Leu 125	Lys 125	engineered mutation
Leu 132	Val 132	engineered mutation
Phe 134	Glu 134	engineered mutation
Tyr 136	Ile 136	engineered mutation

A, B: 142 - 210 (PDB: 3CKA)
A, B: 211 - 342 (UniProt: Q45040)

PDB	External Database	Details
Ser 308	Lys 239	engineered mutation
Ser 309	Glu 240	engineered mutation
Ser 323	Lys 254	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	69385.3
Non-Polymers*	Number of molecules	7
	Total formula weight	1667.9
All*	Total formula weight	71053.2

*Water molecules are not included.