8FUN

Enzymatically Active, Mn/Fe Metallated Form of AibH1H2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Amidohydrolase	polymer	392	43992.1	2	UniProt (A0A402C2V4) Pfam (PF04909) In PDB	Rhodococcus wratislaviensis NBRC 100605
2	B, D	Amidohydrolase	polymer	378	42272.2	2	UniProt (A0A402C2Q3) Pfam (PF04909) In PDB	Rhodococcus wratislaviensis NBRC 100605
3	A, B, C, D	MANGANESE (II) ION	non-polymer		54.9	5	Chemie (MN)
4	B	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
5	B, C	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
6	B	FE (III) ION	non-polymer		55.8	1	Chemie (FE)
7		water	water		18.0	621	Chemie (HOH)

Sequence modifications

A, C: 13 - 385 (UniProt: A0A402C2V4)

PDB	External Database	Details
Met -6	-	expression tag
Gly -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
Ser 2	-	expression tag
Gly 3	-	expression tag
Glu 4	-	expression tag
Asn 5	-	expression tag
Leu 6	-	expression tag
Tyr 7	-	expression tag
Phe 8	-	expression tag
Gln 9	-	expression tag
Ser 10	-	expression tag
Gly 11	-	expression tag
Gly 12	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	172528.6
Non-Polymers*	Number of molecules	9
	Total formula weight	501.3
All*	Total formula weight	173029.9

*Water molecules are not included.