4KPE

Novel fluoroquinolones in complex with topoisomerase IV from S. pneumoniae and E-site G-gate

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	0005694	cellular_component	chromosome
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	0005694	cellular_component	chromosome
B	0006259	biological_process	DNA metabolic process
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	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	1
Number of Residues
Details

Chain

Residue

---

site_id	AC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG A 501

Chain	Residue
A	PHE316
A	LYS317
A	THR319
A	GLN322

---

site_id	AC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG A 502

Chain	Residue
F	AF5101

---

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE MG B 501

Chain	Residue
B	PHE316
B	LYS317
B	THR319
B	GLN322

---

site_id	AC4
Number of Residues	1
Details	BINDING SITE FOR RESIDUE MG B 502

Chain	Residue
H	AF5101

---

site_id	AC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MG C 701

Chain	Residue
C	ASP506
C	ASP508

---

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE MG D 701

Chain	Residue
D	ASP506
D	ASP508
G	DT15

---

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE AF5 F 101

Chain	Residue
A	SER79
A	MG502
B	ARG117
C	ARG456
C	GLU475
E	DT15
F	DC4
F	DA5
H	DG1

---

site_id	AC8
Number of Residues	9
Details	BINDING SITE FOR RESIDUE AF5 H 101

Chain	Residue
A	ARG117
B	SER79
B	MG502
D	ARG456
D	GLU475
F	DA1
G	DT15
H	DT4
H	DA5

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
C	LEU431-GLY439

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_00939, ECO:0000269|PubMed:20596531

Chain	Residue	Details
C	GLU433
C	ASP506
C	ASP508
D	GLU433
D	ASP506
D	ASP508

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	SITE: Interaction with DNA => ECO:0000255|HAMAP-Rule:MF_00939

Chain	Residue	Details
C	LYS458
B	LYS93
C	ASN461
C	HIS513
C	ARG629
D	LYS458
D	ASN461
D	HIS513
D	ARG629
B	ARG87

---

site_id	SWS_FT_FI3
Number of Residues	2
Details	SITE: Transition state stabilizer

Chain	Residue	Details
A	ARG117
B	ARG117

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