5IWI

1.98A structure of GSK945237 with S.aureus DNA gyrase and singly 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	10
Details	binding site for residue MN B 701

Chain	Residue
B	GLU435
F	DT1008
B	ASP508
B	ASP510
B	LYS581
B	HOH802
B	HOH809
B	HOH821
E	DG8
E	DG9

---

site_id	AC2
Number of Residues	8
Details	binding site for residue GOL A 501

Chain	Residue
A	PHE97
A	SER112
A	GLY115
A	GLN267
A	HOH715
A	HOH812
E	DC4
F	DG1004

---

site_id	AC3
Number of Residues	7
Details	binding site for residue GOL A 502

Chain	Residue
A	ARG47
A	ARG48
A	PRO157
A	HOH627
A	HOH651
A	HOH671
A	HOH798

---

site_id	AC4
Number of Residues	4
Details	binding site for residue GOL A 503

Chain	Residue
A	ASP96
A	PRO219
A	ARG485
A	HOH660

---

site_id	AC5
Number of Residues	5
Details	binding site for residue GOL A 504

Chain	Residue
A	GLU250
A	THR262
A	ARG303
A	HOH628
A	HOH635

---

site_id	AC6
Number of Residues	3
Details	binding site for residue GOL A 505

Chain	Residue
A	ASN54
A	GLU55
A	ASN140

---

site_id	AC7
Number of Residues	7
Details	binding site for residue GOL A 506

Chain	Residue
A	ASN313
A	HOH728
C	GLN257
C	ASP311
C	ALA312
C	GOL503
C	HOH746

---

site_id	AC8
Number of Residues	3
Details	binding site for residue CL A 507

Chain	Residue
A	SER315
A	HOH729
C	SER315

---

site_id	AC9
Number of Residues	10
Details	binding site for residue MN D 1001

Chain	Residue
D	GLU435
D	ASP508
D	ASP510
D	LYS581
D	HOH1101
D	HOH1126
D	HOH1148
E	DG8
E	DG9
F	DT1008

---

site_id	AD1
Number of Residues	5
Details	binding site for residue MN C 501

Chain	Residue
C	HIS390
C	HOH706
C	HOH901
F	DT1001
F	HOH1106

---

site_id	AD2
Number of Residues	6
Details	binding site for residue GOL C 502

Chain	Residue
C	PRO44
C	ARG47
C	GLU156
C	HOH606
C	HOH648
C	HOH654

---

site_id	AD3
Number of Residues	10
Details	binding site for residue GOL C 503

Chain	Residue
A	ARG244
A	ASN319
A	GOL506
C	GLU251
C	GLY255
C	ARG256
C	GLN257
C	HOH602
C	HOH603
C	HOH728

---

site_id	AD4
Number of Residues	3
Details	binding site for residue GOL C 504

Chain	Residue
B	ASP470
C	ARG385
C	HOH617

---

site_id	AD5
Number of Residues	6
Details	binding site for residue GOL C 505

Chain	Residue
C	MET113
C	GLN267
C	HOH605
C	HOH750
C	HOH801
F	DG1004

---

site_id	AD6
Number of Residues	16
Details	binding site for residue 6EJ E 101

Chain	Residue
E	HOH222
E	HOH237
G	DT2010
G	DA2011
A	ALA68
A	MET75
A	ASP83
A	MET121
C	ALA68
C	MET75
C	ASP83
C	MET121
E	DT10
E	DA11
E	HOH202
E	HOH203

---

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

---