3VLJ

Crystal Structure Analysis of the Cyanide Arg409Leu Variant Complexes with o-Dianisidine in KatG from HALOARCULA MARISMORTUI

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)	Catalase-peroxidase 2	polymer	737	82245.1	2	UniProt (O59651) Pfam (PF00141)	Haloarcula marismortui	KatG, CP 2, Peroxidase/catalase 2
2	C, F (A, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	2	Chemie (HEM)
3	D, G (A, B)	3,3'-dimethoxybiphenyl-4,4'-diamine	non-polymer		244.3	2	Chemie (DDJ)
4	E, H (A, B)	CYANIDE ION	non-polymer		26.0	2	Chemie (CYN)
5	I, J (A, B)	water	water		18.0	747	Chemie (HOH)

Sequence modifications

A, B: 1 - 731 (UniProt: O59651)

PDB	External Database	Details
Leu 409	Arg 409	engineered mutation
His 732	-	expression tag
His 733	-	expression tag
His 734	-	expression tag
His 735	-	expression tag
His 736	-	expression tag
His 737	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	164490.3
Non-Polymers*	Number of molecules	6
	Total formula weight	1773.6
All*	Total formula weight	166263.9

*Water molecules are not included.