5VNP
X-ray crystal structure of Halotag bound to the P1 benzoxadiazole fluorogenic 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 | 290 | 32926.7 | 2 | UniProt (P0A3G2) Pfam (PF00561) In PDB | Rhodococcus rhodochrous | |
| 2 | A, B | N-{2-[2-(hexyloxy)ethoxy]ethyl}-N~2~-methyl-N~2~-{[7-(methylamino)-2,1,3-benzoxadiazol-4-yl]sulfonyl}glycinamide | non-polymer | 471.6 | 2 | Chemie (9FM) | |||
| 3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 4 | water | water | 18.0 | 81 | Chemie (HOH) |
Sequence modifications
A, B: 3 - 292 (UniProt: P0A3G2)
| PDB | External Database | Details |
|---|---|---|
| Val 46 | Leu 47 | conflict |
| Thr 57 | Ser 58 | conflict |
| Gly 77 | Asp 78 | conflict |
| Phe 86 | Tyr 87 | conflict |
| Met 87 | Leu 88 | conflict |
| Phe 127 | Cys 128 | conflict |
| Thr 154 | Ala 155 | conflict |
| Lys 159 | Glu 160 | conflict |
| Val 166 | Ala 167 | conflict |
| Thr 171 | Ala 172 | conflict |
| Met 174 | Lys 175 | conflict |
| Gly 175 | Cys 176 | conflict |
| Asn 194 | Lys 195 | conflict |
| Glu 223 | Ala 224 | conflict |
| Asp 226 | Asn 227 | conflict |
| Lys 256 | Glu 257 | conflict |
| Ala 263 | Thr 264 | conflict |
| Asn 271 | His 272 | conflict |
| Leu 272 | Tyr 273 | conflict |
| Ser 290 | Pro 291 | conflict |
| Thr 291 | Ala 292 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 65853.3 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1014.0 | |
| All* | Total formula weight | 66867.4 |
