5Y2Y
Crystal structure of HaloTag (M175C) complexed with dansyl-PEG2-HaloTag ligand
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Haloalkane dehalogenase | polymer | 299 | 33716.4 | 2 | UniProt (P0A3G3) Pfam (PF00561) In PDB | Rhodococcus sp. | |
2 | A, B | 5-(dimethylamino)-~{N}-[2-(2-hexoxyethoxy)ethyl]naphthalene-1-sulfonamide | non-polymer | 422.6 | 2 | Chemie (8LL) | |||
3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
4 | water | water | 18.0 | 318 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 293 (UniProt: P0A3G3)
PDB | External Database | Details |
---|---|---|
Ser -1 | - | expression tag |
Gly 0 | - | expression tag |
Ser 1 | - | expression tag |
Ala 2 | Ser 2 | engineered mutation |
Val 47 | Leu 47 | engineered mutation |
Thr 58 | Ser 58 | engineered mutation |
Gly 78 | Asp 78 | engineered mutation |
Phe 87 | Tyr 87 | engineered mutation |
Met 88 | Leu 88 | engineered mutation |
Phe 128 | Cys 128 | engineered mutation |
Thr 155 | Ala 155 | engineered mutation |
Lys 160 | Glu 160 | engineered mutation |
Val 167 | Ala 167 | engineered mutation |
Thr 172 | Ala 172 | engineered mutation |
Cys 175 | Lys 175 | engineered mutation |
Gly 176 | Cys 176 | engineered mutation |
Asn 195 | Lys 195 | engineered mutation |
Glu 224 | Ala 224 | engineered mutation |
Asp 227 | Asn 227 | engineered mutation |
Lys 257 | Glu 257 | engineered mutation |
Ala 264 | Thr 264 | engineered mutation |
Asn 272 | His 272 | engineered mutation |
Leu 273 | Tyr 273 | engineered mutation |
Ser 291 | Pro 291 | engineered mutation |
Thr 292 | Ala 292 | engineered mutation |
Glu 294 | - | expression tag |
Ile 295 | - | expression tag |
Ser 296 | - | expression tag |
Gly 297 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 67432.8 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 916.1 | |
All* | Total formula weight | 68348.9 |