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 | AAA | Haloalkane dehalogenase | polymer | 304 | 34530.4 | 1 | UniProt (P0A3G3) Pfam (PF00561) In PDB | Rhodococcus sp. (in: high G+C Gram-positive bacteria) | |
2 | 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 | AAA | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
4 | 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 |