4ITU

Crystal structure of S-2-HYDROXYPROPYL COENZYME M DEHYDROGENASE (S-HPCDH) bound to S-HPC AND NADH

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Short-chain dehydrogenase/reductase SDR	polymer	269	27112.8	4	UniProt (A7IQH5) Pfam (PF13561)	Xanthobacter autotrophicus
2	E, G, I, K (A, B, C, D)	1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE	non-polymer		665.4	4	Chemie (NAI)
3	F, H, J, L (A, B, C, D)	2-{[(2S)-2-hydroxypropyl]sulfanyl}ethanesulfonic acid	non-polymer		200.3	4	Chemie (1HS)
4	M, N, O, P (A, B, C, D)	water	water		18.0	895	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 255 (UniProt: A7IQH5)

PDB	External Database	Details
Met -13	-	expression tag
Gly -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
Ser -3	-	expression tag
Gln -2	-	expression tag
Asp -1	-	expression tag
Pro 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	108451.1
Non-Polymers*	Number of molecules	8
	Total formula weight	3462.9
All*	Total formula weight	111914.0

*Water molecules are not included.