6QTK

2.31A structure of gepotidacin with S.aureus DNA gyrase and doubly nicked 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	11
Details	binding site for residue MN B 701

Chain	Residue
B	GLU435
E	DG2009
E	HOH2205
B	ASP508
B	ASP510
B	LYS581
B	HOH804
B	HOH817
B	HOH849
B	HOH864
E	DG8

---

site_id	AC2
Number of Residues	6
Details	binding site for residue GOL A 501

Chain	Residue
A	LYS65
A	LYS66
A	ARG69
A	HOH664
C	ASP73
C	GLY76

---

site_id	AC3
Number of Residues	5
Details	binding site for residue NA A 502

Chain	Residue
A	TYR322
A	THR325
A	GLN328
A	HOH795
A	HOH833

---

site_id	AC4
Number of Residues	6
Details	binding site for residue GOL A 503

Chain	Residue
A	SER112
A	GLY115
A	GLN267
A	HOH620
E	DC4
E	HOH2203

---

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

Chain	Residue
D	GLU435
D	ASP508
D	HOH814
D	HOH828
F	DG8
F	DG2009

---

site_id	AC6
Number of Residues	7
Details	binding site for residue GOL C 501

Chain	Residue
C	PRO44
C	ARG47
C	ARG48
C	GLU156
C	PRO157
C	HOH655
C	HOH794

---

site_id	AC7
Number of Residues	9
Details	binding site for residue GOL C 502

Chain	Residue
A	ARG244
A	ASN319
C	GLU251
C	GLY255
C	ARG256
C	GLN257
C	HOH611
C	HOH617
C	HOH764

---

site_id	AC8
Number of Residues	4
Details	binding site for residue GOL C 503

Chain	Residue
C	GLY152
C	ASN153
C	GLU154
C	ARG155

---

site_id	AC9
Number of Residues	4
Details	binding site for residue GOL C 504

Chain	Residue
B	GLU585
C	GLN107
C	GLU125
C	HOH802

---

site_id	AD1
Number of Residues	8
Details	binding site for residue GOL E 2101

Chain	Residue
A	SER84
E	DA7
E	DG8
E	DG2009
E	DT2010
E	HOH2206
E	HOH2210
E	HOH2243

---

site_id	AD2
Number of Residues	4
Details	binding site for residue GOL E 2102

Chain	Residue
E	DG2018
E	HOH2201
E	HOH2228
E	HOH2247

---

site_id	AD3
Number of Residues	15
Details	binding site for residue JHN F 2101

Chain	Residue
A	ALA68
A	MET75
A	ASP83
A	MET121
A	HOH794
C	ALA68
C	MET75
C	ASP83
C	MET121
C	HOH788
E	DT2010
E	DA2011
F	DT2010
F	DA2011
F	HOH2214

---

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	2
Details	ACT_SITE: O-(5'-phospho-DNA)-tyrosine intermediate => ECO:0000255|HAMAP-Rule:MF_01897

Chain	Residue	Details
A	PHE123
C	PHE123
B	ASP510
D	GLU435
D	ASP508
D	ASP510

---

site_id	SWS_FT_FI2
Number of Residues	4
Details	SITE: Interaction with DNA => ECO:0000255|HAMAP-Rule:MF_01898

Chain	Residue	Details
B	LYS460
B	ASN463
D	LYS460
D	ASN463

---