6PCD
Crystal structure of beta-ketoadipyl-CoA thiolase mutant (C90S-H356A) in complex Octanoyl coenzyme A
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 | Beta-ketoadipyl-CoA thiolase | polymer | 423 | 44420.6 | 4 | UniProt (Q88N39) Pfam (PF00108) Pfam (PF02803) In PDB | Pseudomonas putida (strain ATCC 47054 / DSM 6125 / NCIMB 11950 / KT2440) | |
2 | A, D | COENZYME A | non-polymer | 767.5 | 2 | Chemie (COA) | |||
3 | A, B, D | OCTANAL | non-polymer | 128.2 | 3 | Chemie (OYA) | |||
4 | A, B, C, D | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
5 | A, B, C, D | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
6 | B, C | POTASSIUM ION | non-polymer | 39.1 | 3 | Chemie (K) | |||
7 | water | water | 18.0 | 1739 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 400 (UniProt: Q88N39)
PDB | External Database | Details |
---|---|---|
Met -22 | - | initiating methionine |
His -21 | - | expression tag |
His -20 | - | expression tag |
His -19 | - | expression tag |
His -18 | - | expression tag |
His -17 | - | expression tag |
His -16 | - | expression tag |
Ser -15 | - | expression tag |
Ser -14 | - | expression tag |
Gly -13 | - | expression tag |
Val -12 | - | expression tag |
Asp -11 | - | expression tag |
Leu -10 | - | expression tag |
Gly -9 | - | expression tag |
Thr -8 | - | expression tag |
Glu -7 | - | expression tag |
Asn -6 | - | expression tag |
Leu -5 | - | expression tag |
Tyr -4 | - | expression tag |
His -3 | - | expression tag |
Gln -2 | - | expression tag |
Gly -1 | - | expression tag |
Ser 0 | - | expression tag |
Ser 90 | Cys 90 | engineered mutation |
Ala 356 | His 356 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 177682.3 | |
Non-Polymers* | Number of molecules | 18 |
Total formula weight | 2674.7 | |
All* | Total formula weight | 180357.0 |