4BUL

Novel hydroxyl tricyclics (e.g. GSK966587) as potent inhibitors of bacterial type IIA topoisomerases

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
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

Functional Information from PDB Data

site_id	AC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MN A 2492

Chain	Residue
A	TYR1322
A	LYS1323
A	THR1325
A	GLN1328
A	HOH2191
A	HOH2192

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MN A 2493

Chain	Residue
A	HOH2030
E	DT8
E	DG9
A	GLU435
A	ASP508
A	HOH2004

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE MN C 2491

Chain	Residue
C	GLU435
C	ASP508
C	HOH2005
C	HOH2016
F	DG8
F	DG9

---

site_id	AC4
Number of Residues	2
Details	BINDING SITE FOR RESIDUE MN E 1021

Chain	Residue
C	HIS1390
E	DT1

---

site_id	AC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE AE8 F 1020

Chain	Residue
A	GLY1072
A	MET1075
A	ASP1083
A	HOH2082
C	ALA1068
C	GLY1072
C	MET1075
C	ASP1083
E	DT10
E	DA11
F	DT10
F	DA11

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	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

---