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 (A, B)	Irp3 protein	polymer	385	42926.9	2	UniProt (O54512)	Yersinia enterocolitica
2	C, G (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP) PubChem (5885) PubChem (46936685) PubChem (71717786) PubChem (4412) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (165382010)
3	D, H (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) PubChem (135457798) PubChem (136883979)
4	E, I (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
5	F, J (A, B)	FORMIC ACID	non-polymer		46.0	2	Chemie (FMT) PubChem (284)
6	K, L (A, B)	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.