4RAS

Reductive dehalogenase structure suggests a mechanism for B12-dependent dehalogenation

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	Oxidoreductase, NAD-binding/iron-sulfur cluster-binding protein	polymer	704	77433.1	3	UniProt (K2MB66) Pfam (PF12838) In PDB	Nitratireductor pacificus pht-3B	Reductive dehalogenase
2	A, B, C	IRON/SULFUR CLUSTER	non-polymer		351.6	6	Chemie (SF4)
3	A, B, C	COBALAMIN	non-polymer		1330.4	3	Chemie (B12)
4	A, B, C	CHLORIDE ION	non-polymer		35.5	3	Chemie (CL)
5	A, B, C	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
6		water	water		18.0	281	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 698 (UniProt: K2MB66)

PDB	External Database	Details
His 699	-	expression tag
His 700	-	expression tag
His 701	-	expression tag
His 702	-	expression tag
His 703	-	expression tag
His 704	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	232299.3
Non-Polymers*	Number of molecules	15
	Total formula weight	6276.2
All*	Total formula weight	238575.5

*Water molecules are not included.