9DRV
Crystal structure of M. tuberculosis PheRS-tRNA complex bound to inhibitor D-004
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, D (A, D) | Phenylalanine--tRNA ligase alpha subunit | polymer | 350 | 38482.4 | 2 | UniProt (P9WFU3) Pfam (PF02912) Pfam (PF01409) | Mycobacterium tuberculosis H37Rv | Phenylalanyl-tRNA synthetase alpha subunit,PheRS |
| 2 | B, E (B, E) | Phenylalanine--tRNA ligase beta subunit | polymer | 835 | 88867.2 | 2 | UniProt (P9WFU1) Pfam (PF01588) Pfam (PF03483) Pfam (PF03484) Pfam (PF17759) Pfam (PF03147) | Mycobacterium tuberculosis H37Rv | Phenylalanyl-tRNA synthetase beta subunit,PheRS |
| 3 | C, F (C, F) | tRNA(phe) | polymer | 77 | 24842.8 | 2 | GenBank (1251771558) | Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) | |
| 4 | G, X (A, D) | QUINOLIN-2-AMINE | non-polymer | 144.2 | 2 | Chemie (2AQ) | |||
| 5 | BA, H, W (E, A, C) | MAGNESIUM ION | non-polymer | 24.3 | 3 | Chemie (MG) | |||
| 6 | CA, DA, FA, I, K... (E, A, B, D) | ACETATE ION | non-polymer | 59.0 | 10 | Chemie (ACT) | |||
| 7 | AA, J, M (E, A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 3 | Chemie (PEG) | |||
| 8 | GA, N, O, V (E, B) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 9 | P (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 10 | Q, R (B) | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID | non-polymer | 238.3 | 2 | Chemie (EPE) | |||
| 11 | EA, S (E, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 12 | HA, IA, JA, KA, LA... (A, B, C, D, E...) | water | water | 18.0 | 748 | Chemie (HOH) |
Sequence modifications
A, D: 1 - 341 (UniProt: P9WFU3)
B, E: 1 - 831 (UniProt: P9WFU1)
| PDB | External Database | Details |
|---|---|---|
| Glu -8 | - | expression tag |
| Asn -7 | - | expression tag |
| Leu -6 | - | expression tag |
| Tyr -5 | - | expression tag |
| Phe -4 | - | expression tag |
| Gln -3 | - | expression tag |
| Ser -2 | - | expression tag |
| Asn -1 | - | expression tag |
| Ala 0 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gln -3 | - | expression tag |
| Ser -2 | - | expression tag |
| Asn -1 | - | expression tag |
| Ala 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 304384.8 | |
| Non-Polymers* | Number of molecules | 27 |
| Total formula weight | 2317.3 | |
| All* | Total formula weight | 306702.1 |
