7XES

NifS with L-penicillamine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Cysteine desulfurase IscS	polymer	401	44125.2	1	UniProt (O25008) Pfam (PF00266) In PDB	Helicobacter pylori
2	A	ISOPROPYL ALCOHOL	non-polymer		60.1	1	Chemie (IPA)
3	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	A	(2~{R})-3-methyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-3-sulfanyl-butanoic acid	non-polymer		378.3	1	Chemie (9ZN)
5		water	water		18.0	66	Chemie (HOH)

Sequence modifications

A: 1 - 387 (UniProt: O25008)

PDB	External Database	Details
Val 2	Leu 2	engineered mutation
Arg 138	Lys 138	engineered mutation
Val 388	-	expression tag
Asp 389	-	expression tag
Leu 390	-	expression tag
Val 391	-	expression tag
Pro 392	-	expression tag
Arg 393	-	expression tag
Gly 394	-	expression tag
Ser 395	-	expression tag
His 396	-	expression tag
His 397	-	expression tag
His 398	-	expression tag
His 399	-	expression tag
His 400	-	expression tag
His 401	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	44125.2
Non-Polymers*	Number of molecules	3
	Total formula weight	473.9
All*	Total formula weight	44599.1

*Water molecules are not included.