8SW8
Crystal Structure of HaloTag7 bound to JF669-HaloTag ligand
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (AAA) | Haloalkane dehalogenase | polymer | 304 | 34530.4 | 1 | UniProt (P0A3G3) Pfam (PF00561) | Rhodococcus sp. (in: high G+C Gram-positive bacteria) | |
| 2 | B (AAA) | 1-[(4aM,10P)-7-(azetidin-1-yl)-10-[2-carboxy-3,4,6-trifluoro-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-5,5-dimethyldibenzo[b,e]silin-3(5H)-ylidene]azetidin-1-ium | non-polymer | 722.9 | 1 | Chemie (XSR) | |||
| 3 | C (AAA) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 4 | D (AAA) | water | water | 18.0 | 173 | Chemie (HOH) |
Sequence modifications
AAA: 3 - 293 (UniProt: P0A3G3)
| PDB | External Database | Details |
|---|---|---|
| Met -6 | - | initiating methionine |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| His -1 | - | expression tag |
| His 0 | - | expression tag |
| Gly 1 | - | expression tag |
| Ala 2 | - | 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 | - | insertion |
| Ile 295 | - | insertion |
| Ser 296 | - | insertion |
| Gly 297 | - | insertion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34530.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 758.3 | |
| All* | Total formula weight | 35288.7 |
