3TOL

Crystal structure of an engineered cytochrome cb562 that forms 1D, Zn-mediated coordination polymers

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, C, D, B)	Soluble cytochrome b562	polymer	106	11632.1	4	UniProt (P0ABE7) Pfam (PF07361)	Escherichia coli	Cytochrome b-562
2	E, H, K, M (A, C, D, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, I, L, N (A, C, D, B)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
4	G, J (A, C)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
5	O, P, Q, R (A, C, D, B)	water	water		18.0	363	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Glu 27	Lys 49	engineered mutation
Lys 28	Asp 50	engineered mutation
Glu 31	Thr 53	engineered mutation
Leu 34	Arg 56	engineered mutation
Ala 38	Leu 60	engineered mutation
Leu 41	Gln 63	engineered mutation
Arg 59	Lys 81	engineered mutation
Ala 66	Asp 88	engineered mutation
Met 69	Val 91	engineered mutation
His 73	Asp 95	engineered mutation
Ala 76	Leu 98	engineered mutation
His 77	Lys 99	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	46528.5
Non-Polymers*	Number of molecules	10
	Total formula weight	2807.7
All*	Total formula weight	49336.2

*Water molecules are not included.