8RCX
Crystal structure of the Mycobacterium tuberculosis regulator VirS (N-terminal fragment 4-208) in complex with the drug candidate alpibectir
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | HTH-type transcriptional regulator VirS | polymer | 403 | 44573.3 | 2 | UniProt (P9WMJ3) | Mycobacterium tuberculosis H37Rv | |
| 2 | C, D (A, B) | 4,4,4-tris(fluoranyl)-1-[3-(trifluoromethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one | non-polymer | 332.2 | 2 | Chemie (YPQ) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 275 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 340 (UniProt: P9WMJ3)
| PDB | External Database | Details |
|---|---|---|
| Met -62 | - | initiating methionine |
| Gly -61 | - | expression tag |
| Ser -60 | - | expression tag |
| Ser -59 | - | expression tag |
| His -58 | - | expression tag |
| His -57 | - | expression tag |
| His -56 | - | expression tag |
| His -55 | - | expression tag |
| His -54 | - | expression tag |
| His -53 | - | expression tag |
| Ser -52 | - | expression tag |
| Ser -51 | - | expression tag |
| Gly -50 | - | expression tag |
| Leu -49 | - | expression tag |
| Val -48 | - | expression tag |
| Pro -47 | - | expression tag |
| Arg -46 | - | expression tag |
| Gly -45 | - | expression tag |
| Ser -44 | - | expression tag |
| His -43 | - | expression tag |
| Met -42 | - | expression tag |
| Asp -41 | - | expression tag |
| Pro -40 | - | expression tag |
| Glu -39 | - | expression tag |
| Glu -38 | - | expression tag |
| Ala -37 | - | expression tag |
| Ser -36 | - | expression tag |
| Val -35 | - | expression tag |
| Thr -34 | - | expression tag |
| Ser -33 | - | expression tag |
| Thr -32 | - | expression tag |
| Glu -31 | - | expression tag |
| Glu -30 | - | expression tag |
| Thr -29 | - | expression tag |
| Leu -28 | - | expression tag |
| Thr -27 | - | expression tag |
| Pro -26 | - | expression tag |
| Ala -25 | - | expression tag |
| Gln -24 | - | expression tag |
| Glu -23 | - | expression tag |
| Ala -22 | - | expression tag |
| Ala -21 | - | expression tag |
| Glu -20 | - | expression tag |
| Thr -19 | - | expression tag |
| Glu -18 | - | expression tag |
| Ala -17 | - | expression tag |
| Ala -16 | - | expression tag |
| Asn -15 | - | expression tag |
| Lys -14 | - | expression tag |
| Ala -13 | - | expression tag |
| Glu -12 | - | expression tag |
| Glu -11 | - | expression tag |
| Glu -10 | - | expression tag |
| Ala -9 | - | expression tag |
| Glu -8 | - | expression tag |
| Leu -7 | - | expression tag |
| Glu -6 | - | expression tag |
| Ala -5 | - | expression tag |
| Glu -4 | - | expression tag |
| Thr -3 | - | expression tag |
| Ala -2 | - | expression tag |
| Glu -1 | - | expression tag |
| Gln 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 89146.6 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 664.5 | |
| All* | Total formula weight | 89811.0 |
