3TY5
Crystal Structure of C. thermocellum PNKP Ligase domain in complex with ATP
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Polynucleotide 2',3'-cyclic phosphate phosphodiesterase / polynucleotide 5'-hydroxyl-kinase / polynucleotide 3'-phosphatase | polymer | 413 | 47475.3 | 2 | UniProt (A3DJ38) Pfam (PF16542) In PDB | Clostridium thermocellum | |
2 | A | ADENOSINE-5'-TRIPHOSPHATE | non-polymer | 507.2 | 1 | Chemie (ATP) | |||
3 | B | ADENOSINE-5'-DIPHOSPHATE | non-polymer | 427.2 | 1 | Chemie (ADP) | |||
4 | B | TRIETHYLENE GLYCOL | non-polymer | 150.2 | 1 | Chemie (PGE) | |||
5 | water | water | 18.0 | 213 | Chemie (HOH) |
Sequence modifications
A, B: 479 - 870 (UniProt: A3DJ38)
PDB | External Database | Details |
---|---|---|
Met 458 | - | expression tag |
Gly 459 | - | expression tag |
His 460 | - | expression tag |
His 461 | - | expression tag |
His 462 | - | expression tag |
His 463 | - | expression tag |
His 464 | - | expression tag |
His 465 | - | expression tag |
His 466 | - | expression tag |
His 467 | - | expression tag |
His 468 | - | expression tag |
His 469 | - | expression tag |
Ser 470 | - | expression tag |
Ser 471 | - | expression tag |
Gly 472 | - | expression tag |
His 473 | - | expression tag |
Ile 474 | - | expression tag |
Glu 475 | - | expression tag |
Gly 476 | - | expression tag |
Arg 477 | - | expression tag |
His 478 | - | expression tag |
Gly 529 | Glu 529 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 94950.5 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 1084.6 | |
All* | Total formula weight | 96035.1 |