5KVS

Substrate Analog and NADP+ bound structure of Irp3, a Thiazolinyl Imine Reductase from Yersinia enterocolitica

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Irp3 protein	polymer	385	42926.9	2	UniProt (O54512) Pfam (PF01408) Pfam (PF21390) In PDB	Yersinia enterocolitica
2	A, B	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
3	A, B	(4~{R})-2-[2-(2-hydroxyphenyl)-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid	non-polymer		306.4	2	Chemie (6XR)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	A, B	FORMIC ACID	non-polymer		46.0	2	Chemie (FMT)
6		water	water		18.0	474	Chemie (HOH)

Sequence modifications

A, B: 1 - 365 (UniProt: O54512)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	85853.7
Non-Polymers*	Number of molecules	8
	Total formula weight	2315.7
All*	Total formula weight	88169.4

*Water molecules are not included.