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 | P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | polymer | 276 | 31028.6 | 3 | UniProt (O69762) Pfam (PF00378) In PDB | PSEUDOMONAS FLUORESCENS | HYDROXYCINNAMOYL-COA HYDRATASE-LYASE S123A MUTANT |
2 | C | P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | polymer | 275 | 30899.5 | 1 | UniProt (O69762) Pfam (PF00378) In PDB | PSEUDOMONAS FLUORESCENS | HYDROXYCINNAMOYL-COA HYDRATASE-LYASE S123A MUTANT |
3 | E | P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | polymer | 276 | 31005.6 | 1 | UniProt (O69762) Pfam (PF00378) In PDB | PSEUDOMONAS FLUORESCENS | HYDROXYCINNAMOYL-COA HYDRATASE-LYASE S123A MUTANT |
4 | F | P-HYDROXYCINNAMOYL COA HYDRATASE/LYASE | polymer | 276 | 31056.6 | 1 | UniProt (O69762) Pfam (PF00378) In PDB | PSEUDOMONAS FLUORESCENS | HYDROXYCINNAMOYL-COA HYDRATASE-LYASE S123A MUTANT |
5 | A, B, D, E, F | ACETYL COENZYME *A | non-polymer | 809.6 | 5 | Chemie (ACO) | |||
6 | D | 4-hydroxy-3-methoxybenzaldehyde | non-polymer | 152.1 | 1 | Chemie (V55) | |||
7 | 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 |