5CDQ
2.95A structure of Moxifloxacin with S.aureus DNA gyrase and DNA
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C, G, I (A, C, R, T) | DNA gyrase subunit A | polymer | 481 | 54664.2 | 4 | UniProt (Q99XG5) Pfam (PF00521) | Staphylococcus aureus (strain N315) | |
| 2 | B, D, H, J (B, D, S, U) | DNA gyrase subunit B,DNA gyrase subunit B | polymer | 193 | 21612.6 | 4 | UniProt (P66937) Pfam (PF01751) Pfam (PF00986) | Staphylococcus aureus (strain N315) | |
| 3 | E, F, K, L (E, F, V, W) | DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*T*GP*GP*CP*CP*AP*TP*AP*CP*GP*CP*TP*T)-3') | polymer | 20 | 6150.0 | 4 | synthetic construct | ||
| 4 | AA, EA, FA, GA, IA... (R, S, T, U, W...) | MAGNESIUM ION | non-polymer | 24.3 | 14 | Chemie (MG) | |||
| 5 | BA, CA, DA, HA, O... (R, T, A, C) | GLYCEROL | non-polymer | 92.1 | 8 | Chemie (GOL) | |||
| 6 | JA, KA, MA, W, X... (V, W, E, F) | 1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid | non-polymer | 401.4 | 6 | Chemie (MFX) | synthetic construct | ||
| 7 | OA, PA, QA, RA, SA... (A, B, C, D, E...) | water | water | 18.0 | 298 | Chemie (HOH) |
Sequence modifications
B, D, S, U: 414 - 640 (UniProt: P66937)
B, D, S, U: 580 - 640 (PDB: 5CDQ)
| PDB | External Database | Details |
|---|---|---|
| - | Leu 544 | deletion |
| - | Tyr 545 | deletion |
| - | Lys 546 | deletion |
| - | Leu 547 | deletion |
| - | Thr 548 | deletion |
| - | Gln 549 | deletion |
| - | Gly 550 | deletion |
| - | Lys 551 | deletion |
| - | Gln 552 | deletion |
| - | Lys 553 | deletion |
| - | Tyr 554 | deletion |
| - | Tyr 555 | deletion |
| - | Val 556 | deletion |
| - | Tyr 557 | deletion |
| - | Asn 558 | deletion |
| - | Asp 559 | deletion |
| - | Arg 560 | deletion |
| - | Glu 561 | deletion |
| - | Leu 562 | deletion |
| - | Asp 563 | deletion |
| - | Lys 564 | deletion |
| - | Leu 565 | deletion |
| - | Lys 566 | deletion |
| - | Ser 567 | deletion |
| - | Glu 568 | deletion |
| - | Leu 569 | deletion |
| - | Asn 570 | deletion |
| - | Pro 571 | deletion |
| - | Thr 572 | deletion |
| - | Pro 573 | deletion |
| - | Lys 574 | deletion |
| - | Trp 575 | deletion |
| - | Ser 576 | deletion |
| - | Ile 577 | deletion |
| Thr 544 | Ala 578 | linker |
| Gly 545 | Arg 579 | linker |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 12 |
| Total formula weight | 329707.2 | |
| Non-Polymers* | Number of molecules | 28 |
| Total formula weight | 3485.6 | |
| All* | Total formula weight | 333192.8 |
