4M06

Crystal Structure of Mutant Chlorite Dismutase from Candidatus Nitrospira defluvii W145F in Complex with Cyanide

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, E	Chlorite dismutase	polymer	260	29752.8	5	UniProt (B3U4H7) Pfam (PF06778) In PDB	Candidatus Nitrospira defluvii
2	A, B, C, D, E	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	5	Chemie (HEM)
3	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	A, B, C, D, E	CYANIDE ION	non-polymer		26.0	5	Chemie (CYN)
5	C, E	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
6		water	water		18.0	5	Chemie (HOH)

Sequence modifications

A, B, C, D, E: 1 - 238 (UniProt: B3U4H7)

PDB	External Database	Details
Met -21	-	expression tag
Ile -20	-	expression tag
Ser -19	-	expression tag
Trp -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
Pro -15	-	expression tag
Gln -14	-	expression tag
Phe -13	-	expression tag
Glu -12	-	expression tag
Lys -11	-	expression tag
Gly -10	-	expression tag
Ser -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Gly -2	-	expression tag
Ala -1	-	expression tag
Met 0	-	expression tag
Phe 145	Trp 171	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	148763.8
Non-Polymers*	Number of molecules	13
	Total formula weight	3428.8
All*	Total formula weight	152192.5

*Water molecules are not included.