2C4B

Inhibitor cystine knot protein McoEeTI fused to the catalytically inactive barnase mutant H102A

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)	BARNASE MCOEETI FUSION	polymer	143	15727.7	2	UniProt (P00648) UniProt (P82409) UniProt (P12071) Pfam (PF00545) Pfam (PF00299)	BACILLUS AMYLOLIQUEFACIENS
2	C, D, IA, JA (A, B)	NONAETHYLENE GLYCOL	non-polymer		414.5	4	Chemie (2PE)
3	E (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	F, G, H, I, LA... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	10	Chemie (EDO)
5	AB, J, K (B, A)	FORMIC ACID	non-polymer		46.0	3	Chemie (FMT)
6	HA, L, M, N, O... (B, A)	SULFATE ION	non-polymer		96.1	17	Chemie (SO4)
7	AA, BA, CA, DA, EA... (A)	UNKNOWN ATOM OR ION	non-polymer			15	Chemie (UNX)
8	KA (B)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
9	BB, CB (A, B)	water	water		18.0	509	Chemie (HOH)

Sequence modifications

A, B: 2 - 110 (UniProt: P00648)

PDB	External Database	Details
Ser 111	-	linker
Ser 112	-	linker
Ser 113	-	linker
Met 114	-	linker
Ala 102	His 149	engineered mutation

A, B: 115 - 130 (UniProt: P82409)
A, B: 131 - 144 (UniProt: P12071)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	31455.4
Non-Polymers*	Number of molecules	51
	Total formula weight	4337.1
All*	Total formula weight	35792.5

*Water molecules are not included.