2VSS

Wild-type Hydroxycinnamoyl-CoA hydratase lyase in complex with acetyl- CoA and vanillin

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)	P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE	polymer	276	31044.6	4	UniProt (O69762)	PSEUDOMONAS FLUORESCENS	HYDROXYCINNAMOYL-COA HYDRATASE-LYASE
2	E (E)	P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE	polymer	276	31021.6	1	UniProt (O69762)	PSEUDOMONAS FLUORESCENS	HYDROXYCINNAMOYL-COA HYDRATASE-LYASE
3	F (F)	P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE	polymer	276	31072.6	1	UniProt (O69762)	PSEUDOMONAS FLUORESCENS	HYDROXYCINNAMOYL-COA HYDRATASE-LYASE
4	G, H, J, K (B, D, E, F)	ACETYL COENZYME *A	non-polymer		809.6	4	Chemie (ACO) PubChem (25210474) PubChem (444493) PubChem (24860528) PubChem (44141873) PubChem (45254004) PubChem (53393727) PubChem (56846401) PubChem (53245716) PubChem (181) PubChem (6302) PubChem (87656764) PubChem (6917106) PubChem (91746285) PubChem (10079099) PubChem (87656765) PubChem (89102998) PubChem (11987898) PubChem (16061174) PubChem (6857822) PubChem (134956084) PubChem (124511019) PubChem (124931617) PubChem (129274027) PubChem (154496096) PubChem (162968672) PubChem (170108977)
5	I (D)	4-hydroxy-3-methoxybenzaldehyde	non-polymer		152.1	1	Chemie (V55) PubChem (1183)
6	L, M, N, O, P... (A, B, C, D, E...)	water	water		18.0	316	Chemie (HOH)

Sequence modifications

E: 1 - 276 (UniProt: O69762)

PDB	External Database	Details
Tyr 146	Trp 146	conflict

F: 1 - 276 (UniProt: O69762)

PDB	External Database	Details
Arg 29	Lys 29	conflict

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	186272.7
Non-Polymers*	Number of molecules	5
	Total formula weight	3390.4
All*	Total formula weight	189663.1

*Water molecules are not included.