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 | B, D | DNA gyrase subunit B | polymer | 202 | 22605.7 | 2 | UniProt (P66937) Pfam (PF01751) UniProt (by SIFTS) (P0A0K8) In PDB | Staphylococcus aureus | |
2 | A, C | DNA gyrase subunit A | polymer | 490 | 55537.3 | 2 | UniProt (Q99XG5) Pfam (PF00521) In PDB | Staphylococcus aureus | |
3 | 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 | B, D | MANGANESE (II) ION | non-polymer | 54.9 | 2 | Chemie (MN) | |||
5 | 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 | A, C, E | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
7 | C | GLYCINE | non-polymer | 75.1 | 1 | Chemie (GLY) | |||
8 | C | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
9 | 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 |