6OT4

Bimetallic dodecameric cage design 2 (BMC2) from cytochrome cb562

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)	Soluble cytochrome b562	polymer	106	11747.2	4	UniProt (P0ABE7) Pfam (PF07361)	Escherichia coli	Cytochrome b-562
2	E, L, R, W (A, B, C, D)	HEME C	non-polymer		618.5	4	Chemie (HEC)
3	F, G, M, N, S... (A, B, C, D)	ACETOHYDROXAMIC ACID	non-polymer		75.1	8	Chemie (HAE)
4	H, O, Q, Z (A, B, D)	FE (III) ION	non-polymer		55.8	4	Chemie (FE)
5	I, J, K, P, U... (A, B, C)	ZINC ION	non-polymer		65.4	6	Chemie (ZN)
6	AA, BA, CA, DA (A, B, C, D)	water	water		18.0	786	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 106 (UniProt: P0ABE7)

PDB	External Database	Details
His 8	Glu 30	engineered mutation
Thr 24	Ala 46	engineered mutation
Thr 25	Gln 47	engineered mutation
Gln 34	Arg 56	engineered mutation
Gln 38	Leu 60	engineered mutation
Trp 41	Gln 63	engineered mutation
Ser 42	Lys 64	engineered mutation
Ser 59	Lys 81	engineered mutation
Cys 63	His 85	engineered mutation
Trp 66	Asp 88	engineered mutation
Glu 67	Ile 89	engineered mutation
Ile 69	Val 91	engineered mutation
Asn 73	Asp 95	engineered mutation
Ala 74	Asp 96	engineered mutation
His 77	Lys 99	engineered mutation
Lys 80	Asn 102	engineered mutation
Gln 81	Glu 103	engineered mutation
Cys 82	Gly 104	engineered mutation
Cys 98	Arg 120	engineered mutation
Cys 101	Tyr 123	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	46988.9
Non-Polymers*	Number of molecules	22
	Total formula weight	3690.4
All*	Total formula weight	50679.3

*Water molecules are not included.