8B6R
X-ray structure of the haloalkane dehalogenase HaloTag7 labeled with a chloroalkane Cyanine3 fluorophore substrate
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Haloalkane dehalogenase | polymer | 293 | 33226.0 | 1 | UniProt (P0A3G3) Pfam (PF00561) In PDB | Rhodococcus sp. | |
2 | A | ~{N}-[2-[2-(6-chloranylhexoxy)ethoxy]ethyl]-6-[3,3-dimethyl-2-[(~{E})-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]indol-1-ium-1-yl]hexanamide | non-polymer | 663.4 | 1 | Chemie (PJI) | |||
3 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
4 | A | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
5 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
6 | water | water | 18.0 | 297 | Chemie (HOH) |
Sequence modifications
A: 4 - 293 (UniProt: P0A3G3)
PDB | External Database | Details |
---|---|---|
Gly 3 | - | expression tag |
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 |
Met 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 |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 33226.0 | |
Non-Polymers* | Number of molecules | 7 |
Total formula weight | 1091.5 | |
All* | Total formula weight | 34317.5 |