8UIQ

H47Q NicC with 2-mercaptopyridine ligand

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	6-hydroxynicotinate 3-monooxygenase	polymer	405	45420.1	1	UniProt (Q88FY2) Pfam (PF01494)	Pseudomonas putida KT2440
2	B (A)	FLAVIN-ADENINE DINUCLEOTIDE	non-polymer		785.5	1	Chemie (FAD)
3	C (A)	2-PYRIDINETHIOL	non-polymer		111.2	1	Chemie (PYS)
4	D (A)	water	water		18.0	115	Chemie (HOH)

Sequence modifications

A: 1 - 382 (UniProt: Q88FY2)

PDB	External Database	Details
Met -22	-	initiating methionine
Gly -21	-	expression tag
Ser -20	-	expression tag
Asp -19	-	expression tag
Lys -18	-	expression tag
Ile -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag
Gln 47	His 47	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	45420.1
Non-Polymers*	Number of molecules	2
	Total formula weight	896.7
All*	Total formula weight	46316.8

*Water molecules are not included.