4HZ5

Pyrrolopyrimidine inhibitors of dna gyrase b and topoisomerase iv, part i: structure guided discovery and optimization of dual targeting agents with potent, broad-spectrum enzymatic activity

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	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	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
E	0003677	molecular_function	DNA binding
E	0003918	molecular_function	DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
E	0005524	molecular_function	ATP binding
E	0006265	biological_process	DNA topological change
F	0003677	molecular_function	DNA binding
F	0003918	molecular_function	DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
F	0005524	molecular_function	ATP binding
F	0006265	biological_process	DNA topological change
G	0003677	molecular_function	DNA binding
G	0003918	molecular_function	DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
G	0005524	molecular_function	ATP binding
G	0006265	biological_process	DNA topological change
H	0003677	molecular_function	DNA binding
H	0003918	molecular_function	DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
H	0005524	molecular_function	ATP binding
H	0006265	biological_process	DNA topological change
J	0003677	molecular_function	DNA binding
J	0003918	molecular_function	DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity
J	0005524	molecular_function	ATP binding
J	0006265	biological_process	DNA topological change

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 19Y A 301

Chain	Residue
A	ILE46
A	HIS118
A	THR169
A	HOH427
A	ASN49
A	GLU53
A	VAL74
A	ASP76
A	ARG79
A	GLY80
A	MET81
A	PRO82

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site_id	AC2
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 19Y B 301

Chain	Residue
B	ASN49
B	GLU53
B	VAL74
B	ASP76
B	ARG79
B	GLY80
B	MET81
B	PRO82
B	THR169
B	VAL171
B	HOH402

---

site_id	AC3
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 19Y C 301

Chain	Residue
C	ILE46
C	ASN49
C	GLU53
C	VAL74
C	ASP76
C	ARG79
C	GLY80
C	MET81
C	PRO82
C	HIS118
C	THR169

---

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE 19Y D 301

Chain	Residue
D	ILE46
D	ASN49
D	GLU53
D	ASP76
D	ARG79
D	GLY80
D	MET81
D	GLY119
D	THR169

---

site_id	AC5
Number of Residues	12
Details	BINDING SITE FOR RESIDUE 19Y E 301

Chain	Residue
E	ILE46
E	ASN49
E	GLU53
E	VAL74
E	ASP76
E	ARG79
E	GLY80
E	MET81
E	PRO82
E	HIS118
E	THR169
E	VAL171

---

site_id	AC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE 19Y F 301

Chain	Residue
F	ASN49
F	GLU53
F	ASP76
F	ARG79
F	GLY80
F	MET81
F	PRO82
F	THR169

---

site_id	AC7
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 19Y G 301

Chain	Residue
G	ILE46
G	ASN49
G	GLU53
G	VAL74
G	ASP76
G	ARG79
G	GLY80
G	MET81
G	PRO82
G	GLY119
G	THR169

---

site_id	AC8
Number of Residues	10
Details	BINDING SITE FOR RESIDUE 19Y J 301

Chain	Residue
J	ILE46
J	ASN49
J	GLU53
J	ASP76
J	ARG79
J	GLY80
J	MET81
J	PRO82
J	THR169
J	VAL171

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