3O3N

(R)-2-hydroxyisocaproyl-CoA dehydratase in complex with its substrate (R)-2-hydroxyisocaproyl-CoA

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	alpha-subunit 2-hydroxyisocaproyl-CoA dehydratase	polymer	408	46383.9	2	UniProt (Q5U924) Pfam (PF06050) In PDB	Clostridium difficile
2	B, D	beta-subunit 2-hydroxyacyl-CoA dehydratase	polymer	385	43621.1	2	UniProt (Q5U923) Pfam (PF06050) In PDB	Clostridium difficile
3	A, B, C, D	IRON/SULFUR CLUSTER	non-polymer		351.6	4	Chemie (SF4)
4	A, C	S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2R)-2-hydroxy-4-methyl-pentanethioate	non-polymer		881.7	2	Chemie (IRC)
5	B, D	HYDROSULFURIC ACID	non-polymer		34.1	2	Chemie (H2S)
6		water	water		18.0	1206	Chemie (HOH)

Sequence modifications

B, D: 1 - 375 (UniProt: Q5U923)

PDB	External Database	Details
Ser 376	-	expression tag
Ala 377	-	expression tag
Trp 378	-	expression tag
Ser 379	-	expression tag
His 380	-	expression tag
Pro 381	-	expression tag
Gln 382	-	expression tag
Phe 383	-	expression tag
Glu 384	-	expression tag
Lys 385	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	180009.9
Non-Polymers*	Number of molecules	8
	Total formula weight	3238.1
All*	Total formula weight	183248.0

*Water molecules are not included.