6QX1

2.7A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA.

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0003677	molecular_function	DNA binding
A	0003918	molecular_function	DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
A	0005524	molecular_function	ATP binding
A	0006259	biological_process	DNA metabolic process
A	0006265	biological_process	DNA topological change
B	0003677	molecular_function	DNA binding
B	0003918	molecular_function	DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
B	0005524	molecular_function	ATP binding
B	0006265	biological_process	DNA topological change
C	0003677	molecular_function	DNA binding
C	0003918	molecular_function	DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
C	0005524	molecular_function	ATP binding
C	0006259	biological_process	DNA metabolic process
C	0006265	biological_process	DNA topological change
D	0003677	molecular_function	DNA binding
D	0003918	molecular_function	DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
D	0005524	molecular_function	ATP binding
D	0006265	biological_process	DNA topological change

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	binding site for residue MN B 701

Chain	Residue
B	ASP508
B	ASP510
B	HOH807
B	HOH819
B	HOH820
E	HOH2214

---

site_id	AC2
Number of Residues	10
Details	binding site for residue JK8 B 702

Chain	Residue
A	ARG342
A	PRO343
B	ARG630
B	ILE633
B	GLU634
B	ALA637
B	HOH818
A	ILE30
A	VAL31
A	MET179

---

site_id	AC3
Number of Residues	4
Details	binding site for residue GOL A 501

Chain	Residue
A	ASN313
C	GLN257
C	ALA312
C	HOH617

---

site_id	AC4
Number of Residues	5
Details	binding site for residue GOL A 502

Chain	Residue
A	PRO44
A	ARG47
A	ARG48
A	SER158
A	HOH606

---

site_id	AC5
Number of Residues	6
Details	binding site for residue MN D 701

Chain	Residue
D	ASP508
D	ASP510
D	HOH803
D	HOH806
D	HOH809
F	HOH2113

---

site_id	AC6
Number of Residues	10
Details	binding site for residue JK8 D 702

Chain	Residue
C	MET179
C	ILE336
C	ARG342
C	PRO343
C	HOH682
D	ARG630
D	ILE633
D	GLU634
D	ALA637
D	TYR639

---

site_id	AC7
Number of Residues	2
Details	binding site for residue GLY C 501

Chain	Residue
C	GLY226
C	LEU490

---

site_id	AC8
Number of Residues	4
Details	binding site for residue CL C 502

Chain	Residue
A	SER315
A	HOH619
C	SER315
C	HOH617

---

site_id	AC9
Number of Residues	7
Details	binding site for residue GOL C 503

Chain	Residue
C	SER112
C	MET113
C	GLN267
C	VAL268
C	ASN269
C	HOH620
F	DC4

---

site_id	AD1
Number of Residues	6
Details	binding site for residue GOL E 2101

Chain	Residue
A	SER84
E	DA7
E	DG8
E	DG2009
E	DT2010
E	HOH2215

---

Functional Information from PROSITE/UniProt

site_id	PS00177
Number of Residues	9
Details	TOPOISOMERASE_II DNA topoisomerase II signature. LVEGDSAGG

Chain	Residue	Details
B	LEU433-GLY441

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	228
Details	Domain: {"description":"Toprim","evidences":[{"source":"HAMAP-Rule","id":"MF_01898","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_01898","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI3
Number of Residues	4
Details	Site: {"description":"Interaction with DNA","evidences":[{"source":"HAMAP-Rule","id":"MF_01898","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---

site_id	SWS_FT_FI4
Number of Residues	2
Details	Active site: {"description":"O-(5'-phospho-DNA)-tyrosine intermediate","evidences":[{"source":"HAMAP-Rule","id":"MF_01897","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

---