6WAA
K. pneumoniae Topoisomerase IV (ParE-ParC) in complex with DNA and compound 34 (7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (B, D, F, H) | DNA topoisomerase 4 subunit B,DNA topoisomerase (ATP-hydrolyzing) chimera | polymer | 743 | 84279.5 | 4 | UniProt (A0A377Y395) UniProt (A0A377XIN8) Pfam (PF00521) UniProt (by SIFTS) (B5XU60) | Klebsiella pneumoniae 342 | Topoisomerase IV subunit B |
| 2 | E, H, I, L (I, L, M, P) | DNA (5'-D(*TP*TP*AP*CP*GP*TP*TP*GP*TP*AP*T)-3') | polymer | 11 | 3354.2 | 4 | Klebsiella pneumoniae 342 | ||
| 3 | F, G, J, K (J, K, N, O) | DNA (5'-D(*GP*AP*TP*CP*AP*TP*AP*CP*AP*AP*CP*GP*TP*AP*A)-3') | polymer | 15 | 4586.0 | 4 | Klebsiella pneumoniae 342 | ||
| 4 | M, N, R, T, X... (B, D, F, H) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 6 | Chemie (MPD) | |||
| 5 | BA, EA, FA, IA, O... (I, L, M, O, B...) | MAGNESIUM ION | non-polymer | 24.3 | 11 | Chemie (MG) | |||
| 6 | AA, Q (H, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 7 | CA, DA, GA, HA (J, N) | 7-[(1S,5R)-1-amino-3-azabicyclo[3.1.0]hexan-3-yl]-4-(aminomethyl)-1-cyclopropyl-3,6-difluoro-8-methylquinolin-2(1H)-one | non-polymer | 360.4 | 4 | Chemie (TNJ) | |||
| 8 | JA, KA, LA, MA, NA (B, D, F, H, N) | water | water | 18.0 | 10 | Chemie (HOH) |
Sequence modifications
B, D, F, H: 390 - 631 (UniProt: A0A377Y395)
B, D, F, H: 1001 - 1490 (UniProt: A0A377XIN8)
| PDB | External Database | Details |
|---|---|---|
| Met 389 | - | initiating methionine |
| Glu 999 | - | linker |
| Phe 1000 | - | linker |
| PDB | External Database | Details |
|---|---|---|
| Thr 1255 | Ser 255 | variant |
| Leu 1491 | - | expression tag |
| Glu 1492 | - | expression tag |
| His 1493 | - | expression tag |
| His 1494 | - | expression tag |
| His 1495 | - | expression tag |
| His 1496 | - | expression tag |
| His 1497 | - | expression tag |
| His 1498 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 12 |
| Total formula weight | 368878.8 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 2488.9 | |
| All* | Total formula weight | 371367.7 |
