2VSU
A ternary complex of Hydroxycinnamoyl-CoA Hydratase-Lyase (HCHL) with acetyl-Coenzyme A and vanillin gives insights into substrate specificity and mechanism.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, D (A, B, D) | P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | polymer | 276 | 31028.6 | 3 | UniProt (O69762) | PSEUDOMONAS FLUORESCENS | HYDROXYCINNAMOYL-COA HYDRATASE-LYASE S123A MUTANT |
| 2 | C (C) | P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | polymer | 275 | 30899.5 | 1 | UniProt (O69762) | PSEUDOMONAS FLUORESCENS | HYDROXYCINNAMOYL-COA HYDRATASE-LYASE S123A MUTANT |
| 3 | E (E) | P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | polymer | 276 | 31005.6 | 1 | UniProt (O69762) | PSEUDOMONAS FLUORESCENS | HYDROXYCINNAMOYL-COA HYDRATASE-LYASE S123A MUTANT |
| 4 | F (F) | P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | polymer | 276 | 31056.6 | 1 | UniProt (O69762) | PSEUDOMONAS FLUORESCENS | HYDROXYCINNAMOYL-COA HYDRATASE-LYASE S123A MUTANT |
| 5 | G, H, I, K, L (A, B, D, E, F) | ACETYL COENZYME *A | non-polymer | 809.6 | 5 | 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) | |||
| 6 | J (D) | 4-hydroxy-3-methoxybenzaldehyde | non-polymer | 152.1 | 1 | Chemie (V55) PubChem (1183) | |||
| 7 | M, N, O, P, Q... (A, B, C, D, E...) | water | water | 18.0 | 488 | Chemie (HOH) |
Sequence modifications
A, B, D: 1 - 276 (UniProt: O69762)
C: 1 - 250 (UniProt: O69762)
E: 1 - 276 (UniProt: O69762)
F: 1 - 276 (UniProt: O69762)
| PDB | External Database | Details |
|---|---|---|
| Ala 123 | Ser 123 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Ala 123 | Ser 123 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Ala 123 | Ser 123 | engineered mutation |
| Tyr 146 | Trp 146 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Ala 123 | Ser 123 | engineered mutation |
| Arg 29 | Lys 29 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 186047.5 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 4200.0 | |
| All* | Total formula weight | 190247.5 |
