6QX1
2.7A structure of benzoisoxazole 3 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 (B, D) | DNA gyrase subunit B | polymer | 202 | 22605.7 | 2 | UniProt (P66937) Pfam (PF01751) UniProt (by SIFTS) (P0A0K8) | Staphylococcus aureus | |
| 2 | B, D (A, C) | DNA gyrase subunit A | polymer | 490 | 55537.3 | 2 | UniProt (Q99XG5) Pfam (PF00521) | Staphylococcus aureus | |
| 3 | E, F (E, F) | DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3') | polymer | 20 | 6135.0 | 2 | synthetic construct | ||
| 4 | G, K (B, D) | MANGANESE (II) ION | non-polymer | 54.9 | 2 | Chemie (MN) | |||
| 5 | H, L (B, D) | (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine | non-polymer | 364.8 | 2 | Chemie (JK8) | |||
| 6 | I, J, O, P, Q (A, C, E) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 7 | M (C) | GLYCINE | non-polymer | 75.1 | 1 | Chemie (GLY) | |||
| 8 | N (C) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 9 | R, S, T, U, V... (B, A, D, C, E...) | water | water | 18.0 | 331 | Chemie (HOH) |
Sequence modifications
B, D: 410 - 543 (UniProt: P66937)
| PDB | External Database | Details |
|---|---|---|
| Met 409 | - | initiating methionine |
| Thr 544 | - | expression tag |
| Gly 545 | - | expression tag |
| Tyr 580 | - | expression tag |
| Lys 581 | - | expression tag |
| Gly 582 | - | expression tag |
| Leu 583 | - | expression tag |
| Gly 584 | - | expression tag |
| Glu 585 | - | expression tag |
| Met 586 | - | expression tag |
| Asn 587 | - | expression tag |
| Ala 588 | - | expression tag |
| Asp 589 | - | expression tag |
| Gln 590 | - | expression tag |
| Leu 591 | - | expression tag |
| Trp 592 | - | expression tag |
| Glu 593 | - | expression tag |
| Thr 594 | - | expression tag |
| Thr 595 | - | expression tag |
| Met 596 | - | expression tag |
| Asn 597 | - | expression tag |
| Pro 598 | - | expression tag |
| Glu 599 | - | expression tag |
| His 600 | - | expression tag |
| Arg 601 | - | expression tag |
| Ala 602 | - | expression tag |
| Leu 603 | - | expression tag |
| Leu 604 | - | expression tag |
| Gln 605 | - | expression tag |
| Val 606 | - | expression tag |
| Lys 607 | - | expression tag |
| Leu 608 | - | expression tag |
| Glu 609 | - | expression tag |
| Asp 610 | - | expression tag |
| Ala 611 | - | expression tag |
| Ile 612 | - | expression tag |
| Glu 613 | - | expression tag |
| Ala 614 | - | expression tag |
| Asp 615 | - | expression tag |
| Gln 616 | - | expression tag |
| Thr 617 | - | expression tag |
| Phe 618 | - | expression tag |
| Glu 619 | - | expression tag |
| Met 620 | - | expression tag |
| Leu 621 | - | expression tag |
| Met 622 | - | expression tag |
| Gly 623 | - | expression tag |
| Asp 624 | - | expression tag |
| Val 625 | - | expression tag |
| Val 626 | - | expression tag |
| Glu 627 | - | expression tag |
| Asn 628 | - | expression tag |
| Arg 629 | - | expression tag |
| Arg 630 | - | expression tag |
| Gln 631 | - | expression tag |
| Phe 632 | - | expression tag |
| Ile 633 | - | expression tag |
| Glu 634 | - | expression tag |
| Asp 635 | - | expression tag |
| Asn 636 | - | expression tag |
| Ala 637 | - | expression tag |
| Val 638 | - | expression tag |
| Tyr 639 | - | expression tag |
| Ala 640 | - | expression tag |
| Asn 641 | - | expression tag |
| Leu 642 | - | expression tag |
| Asp 643 | - | expression tag |
| Phe 644 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 168555.9 | |
| Non-Polymers* | Number of molecules | 11 |
| Total formula weight | 1410.5 | |
| All* | Total formula weight | 169966.5 |
