2YKM
Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI)
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | REVERSE TRANSCRIPTASE/RIBONUCLEASE H | polymer | 562 | 64780.2 | 1 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) Pfam (PF00075) In PDB | HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 BH10 | EXORIBONUCLEASE H, P66RT |
2 | B | REVERSE TRANSCRIPTASE/RIBONUCLEASE H | polymer | 428 | 50039.5 | 1 | UniProt (P03366) Pfam (PF00078) Pfam (PF06817) Pfam (PF06815) In PDB | HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 BH10 | EXORIBONUCLEASE H, P66RT |
3 | A | 2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE | non-polymer | 293.3 | 1 | Chemie (YKN) | |||
4 | A | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
5 | water | water | 18.0 | 276 | Chemie (HOH) |
Sequence modifications
A: 1 - 557 (UniProt: P03366)
B: 1 - 428 (UniProt: P03366)
PDB | External Database | Details |
---|---|---|
His 558 | - | expression tag |
His 559 | - | expression tag |
His 560 | - | expression tag |
His 561 | - | expression tag |
His 562 | - | expression tag |
Ser 57 | Asn 656 | conflict |
Cys 227 | Phe 826 | engineered mutation |
Gln 478 | Glu 1077 | engineered mutation |
PDB | External Database | Details |
---|---|---|
Ser 280 | Cys 879 | conflict |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 114819.7 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 333.4 | |
All* | Total formula weight | 115153.1 |