6QX2
3.4A 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, S, b, s | DNA gyrase subunit B,DNA gyrase subunit B | polymer | 186 | 20846.7 | 4 | UniProt (P0A0K8) UniProt (P66936) Pfam (PF01751) Pfam (PF00986) In PDB | Staphylococcus aureus | |
2 | A, C, L, R, T... | DNA gyrase subunit A | polymer | 490 | 55537.3 | 11 | UniProt (Q99XG5) Pfam (PF00521) In PDB | Staphylococcus aureus | |
3 | D, U, m | DNA gyrase subunit B,DNA gyrase subunit B | polymer | 188 | 21111.0 | 3 | UniProt (P0A0K8) UniProt (Q6GKU0) Pfam (PF01751) Pfam (PF00986) In PDB | Staphylococcus aureus | |
4 | E, F, N, O, W... | DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3') | polymer | 20 | 6151.0 | 9 | synthetic construct | ||
5 | K | DNA gyrase subunit B,DNA gyrase subunit B | polymer | 187 | 21009.9 | 1 | UniProt (P66937) UniProt (Q2FKQ1) Pfam (PF01751) Pfam (PF00986) UniProt (by SIFTS) (P0A0K8) In PDB | Staphylococcus aureus | |
6 | J | DNA gyrase subunit A | polymer | 480 | 54370.0 | 1 | UniProt (Q99XG5) Pfam (PF00521) In PDB | Staphylococcus aureus | |
7 | M | DNA gyrase subunit B,DNA gyrase subunit B | polymer | 189 | 21274.2 | 1 | UniProt (P66937) UniProt (Q2FKQ1) Pfam (PF00986) Pfam (PF01751) UniProt (by SIFTS) (P0A0K8) In PDB | Staphylococcus aureus | |
8 | V, o | DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3') | polymer | 19 | 5846.8 | 2 | synthetic construct | ||
9 | d | DNA gyrase subunit B,DNA gyrase subunit B | polymer | 181 | 20363.2 | 1 | UniProt (P66937) UniProt (Q6GKU0) Pfam (PF01751) Pfam (PF00986) UniProt (by SIFTS) (P0A0K8) In PDB | Staphylococcus aureus | |
10 | f | DNA (5'-D(*GP*AP*GP*CP*GP*TP*AP*CP*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3') | polymer | 17 | 5204.4 | 1 | synthetic construct | ||
11 | k | DNA gyrase subunit B,DNA gyrase subunit B | polymer | 188 | 21081.0 | 1 | UniProt (P66937) UniProt (Q6GKU0) Pfam (PF01751) Pfam (PF00986) UniProt (by SIFTS) (P0A0K8) In PDB | Staphylococcus aureus | |
12 | u | DNA gyrase subunit B,DNA gyrase subunit B | polymer | 187 | 21011.9 | 1 | UniProt (P66937) UniProt (Q2FKQ1) Pfam (PF01751) Pfam (PF00986) UniProt (by SIFTS) (P0A0K8) In PDB | Staphylococcus aureus | |
13 | A, C, J, L, R... | (2~{R})-2-[[5-(2-chlorophenyl)-1,2-benzoxazol-3-yl]oxy]-2-phenyl-ethanamine | non-polymer | 364.8 | 12 | Chemie (JK8) |
Sequence modifications
B, S, b, s: 416 - 543 (UniProt: P0A0K8)
B, S, b, s: 581 - 638 (UniProt: P66936)
D, U, m: 417 - 543 (UniProt: P0A0K8)
D, U, m: 580 - 638 (UniProt: Q6GKU0)
K: 416 - 543 (UniProt: P66937)
K: 581 - 639 (UniProt: Q2FKQ1)
J: 11 - 491 (UniProt: Q99XG5)
M: 417 - 543 (UniProt: P66937)
M: 580 - 639 (UniProt: Q2FKQ1)
d: 417 - 543 (UniProt: P66937)
d: 586 - 637 (UniProt: Q6GKU0)
k: 416 - 543 (UniProt: P66937)
k: 581 - 640 (UniProt: Q6GKU0)
u: 417 - 543 (UniProt: P66937)
u: 580 - 637 (UniProt: Q2FKQ1)
B, S, b, s: 581 - 638 (UniProt: P66936)
D, U, m: 417 - 543 (UniProt: P0A0K8)
PDB | External Database | Details |
---|---|---|
Thr 544 | - | linker |
Gly 545 | - | linker |
K: 416 - 543 (UniProt: P66937)
K: 581 - 639 (UniProt: Q2FKQ1)
J: 11 - 491 (UniProt: Q99XG5)
PDB | External Database | Details |
---|---|---|
- | Arg 256 | deletion |
PDB | External Database | Details |
---|---|---|
Thr 544 | - | linker |
Gly 545 | - | linker |
d: 417 - 543 (UniProt: P66937)
PDB | External Database | Details |
---|---|---|
Thr 544 | - | linker |
Gly 545 | - | linker |
k: 416 - 543 (UniProt: P66937)
k: 581 - 640 (UniProt: Q6GKU0)
u: 417 - 543 (UniProt: P66937)
PDB | External Database | Details |
---|---|---|
Thr 544 | - | linker |
Gly 545 | - | linker |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 36 |
Total formula weight | 988997.2 | |
Non-Polymers* | Number of molecules | 12 |
Total formula weight | 4377.9 | |
All* | Total formula weight | 993375.1 |