4ZIB
Crystal Structure of the C-terminal domain of PylRS mutant bound with 3-benzothienyl-l-alanine and ATP
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Pyrrolysine--tRNA ligase | polymer | 291 | 33384.2 | 1 | UniProt (Q8PWY1) Pfam (PF01409) In PDB | Methanosarcina mazei (strain ATCC BAA-159 / DSM 3647 / Goe1 / Go1 / JCM 11833 / OCM 88) | Pyrrolysine--tRNA(Pyl) ligase,Pyrrolysyl-tRNA synthetase,PylRS |
2 | A | MAGNESIUM ION | non-polymer | 24.3 | 3 | Chemie (MG) | |||
3 | A | ADENOSINE-5'-TRIPHOSPHATE | non-polymer | 507.2 | 1 | Chemie (ATP) | |||
4 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 7 | Chemie (EDO) | |||
5 | A | 3-(1-benzothiophen-3-yl)-L-alanine | non-polymer | 221.3 | 1 | Chemie (4OG) | |||
6 | water | water | 18.0 | 139 | Chemie (HOH) |
Sequence modifications
A: 185 - 454 (UniProt: Q8PWY1)
PDB | External Database | Details |
---|---|---|
Met 164 | - | initiating methionine |
Gly 165 | - | expression tag |
Ser 166 | - | expression tag |
Ser 167 | - | expression tag |
His 168 | - | expression tag |
His 169 | - | expression tag |
His 170 | - | expression tag |
His 171 | - | expression tag |
His 172 | - | expression tag |
His 173 | - | expression tag |
Ser 174 | - | expression tag |
Ser 175 | - | expression tag |
Gly 176 | - | expression tag |
Leu 177 | - | expression tag |
Val 178 | - | expression tag |
Pro 179 | - | expression tag |
Arg 180 | - | expression tag |
Gly 181 | - | expression tag |
Ser 182 | - | expression tag |
His 183 | - | expression tag |
Met 184 | - | expression tag |
Gly 346 | Asn 346 | engineered mutation |
Gln 348 | Cys 348 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 33384.2 | |
Non-Polymers* | Number of molecules | 12 |
Total formula weight | 1235.8 | |
All* | Total formula weight | 34620.0 |