4KAJ
X-Ray Structure of the complex of Haloalkane dehalogenase HaloTag7 with HALTS, Northeast Structural Genomics Consortium (NESG) Target OR151
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | PENTAETHYLENE GLYCOL | polymer | 307 | 35308.8 | 1 | UniProt (P0A3G3) | Rhodococcus sp. | |
| 2 | B (A) | N-(2-ethoxy-3,5-dimethylbenzyl)-1H-tetrazol-5-amine | non-polymer | 247.3 | 1 | Chemie (1Q9) | |||
| 3 | C, E (A) | MANGANESE (II) ION | non-polymer | 54.9 | 2 | Chemie (MN) | |||
| 4 | D, F (A) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 5 | G, H (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 6 | I (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 7 | J (A) | water | water | 18.0 | 242 | Chemie (HOH) |
Sequence modifications
A: -1 - 293 (UniProt: P0A3G3)
| PDB | External Database | Details |
|---|---|---|
| Mse -10 | - | expression tag |
| Gly -9 | - | expression tag |
| His -8 | - | expression tag |
| His -7 | - | expression tag |
| His -6 | - | expression tag |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His 0 | - | expression tag |
| Mse 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 |
| Mse 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 |
| Mse 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 | 1 |
| Total formula weight | 35308.8 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 619.4 | |
| All* | Total formula weight | 35928.2 |
