5CDQ
2.95A structure of Moxifloxacin with S.aureus DNA gyrase and 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 |
R | 0003677 | molecular_function | DNA binding |
R | 0003918 | molecular_function | DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity |
R | 0005524 | molecular_function | ATP binding |
R | 0006259 | biological_process | DNA metabolic process |
R | 0006265 | biological_process | DNA topological change |
S | 0003677 | molecular_function | DNA binding |
S | 0003918 | molecular_function | DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity |
S | 0005524 | molecular_function | ATP binding |
S | 0006265 | biological_process | DNA topological change |
T | 0003677 | molecular_function | DNA binding |
T | 0003918 | molecular_function | DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity |
T | 0005524 | molecular_function | ATP binding |
T | 0006259 | biological_process | DNA metabolic process |
T | 0006265 | biological_process | DNA topological change |
U | 0003677 | molecular_function | DNA binding |
U | 0003918 | molecular_function | DNA topoisomerase type II (double strand cut, ATP-hydrolyzing) activity |
U | 0005524 | molecular_function | ATP binding |
U | 0006265 | biological_process | DNA topological change |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 5 |
Details | binding site for residue MG A 501 |
Chain | Residue |
E | MFX2101 |
E | HOH2201 |
E | HOH2211 |
E | HOH2213 |
F | HOH2214 |
site_id | AC2 |
Number of Residues | 4 |
Details | binding site for residue MG A 502 |
Chain | Residue |
A | TYR322 |
A | LYS323 |
A | THR325 |
A | GLN328 |
site_id | AC3 |
Number of Residues | 5 |
Details | binding site for residue GOL A 503 |
Chain | Residue |
A | ASP148 |
A | GLY152 |
A | ASN153 |
A | GLU154 |
A | ARG155 |
site_id | AC4 |
Number of Residues | 5 |
Details | binding site for residue GOL A 504 |
Chain | Residue |
A | ARG385 |
A | LEU388 |
A | ASP389 |
A | ARG438 |
A | GLU442 |
site_id | AC5 |
Number of Residues | 5 |
Details | binding site for residue MG B 1001 |
Chain | Residue |
B | ASP508 |
B | ASP510 |
B | HOH1107 |
B | HOH1111 |
B | HOH1116 |
site_id | AC6 |
Number of Residues | 5 |
Details | binding site for residue MG C 501 |
Chain | Residue |
E | HOH2214 |
F | MFX2101 |
F | HOH2201 |
F | HOH2208 |
F | HOH2213 |
site_id | AC7 |
Number of Residues | 4 |
Details | binding site for residue MG C 502 |
Chain | Residue |
C | TYR322 |
C | LYS323 |
C | THR325 |
C | GLN328 |
site_id | AC8 |
Number of Residues | 5 |
Details | binding site for residue GOL C 503 |
Chain | Residue |
C | ASP148 |
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 |
C | ARG377 |
C | LEU384 |
C | ALA424 |
C | ARG432 |
site_id | AD1 |
Number of Residues | 6 |
Details | binding site for residue MG D 1001 |
Chain | Residue |
D | ASP508 |
D | ASP510 |
D | HOH1101 |
D | HOH1102 |
D | HOH1103 |
D | HOH1104 |
site_id | AD2 |
Number of Residues | 13 |
Details | binding site for residue MFX E 2101 |
Chain | Residue |
A | SER84 |
A | MG501 |
B | GLY459 |
B | GLU477 |
C | ARG122 |
E | DC2012 |
E | DA2013 |
E | HOH2201 |
E | HOH2211 |
E | HOH2213 |
F | DT8 |
F | DG2009 |
F | HOH2214 |
site_id | AD3 |
Number of Residues | 13 |
Details | binding site for residue MFX F 2101 |
Chain | Residue |
A | ARG122 |
A | PTR123 |
C | SER84 |
C | MG501 |
D | ASP437 |
D | ARG458 |
E | DT8 |
E | DG2009 |
F | DC2012 |
F | DA2013 |
F | HOH2201 |
F | HOH2208 |
F | HOH2213 |
site_id | AD4 |
Number of Residues | 3 |
Details | binding site for residue MG F 2102 |
Chain | Residue |
F | MFX2103 |
F | HOH2207 |
F | HOH2212 |
site_id | AD5 |
Number of Residues | 6 |
Details | binding site for residue MFX F 2103 |
Chain | Residue |
E | DT2019 |
F | DG1 |
F | DA2 |
F | MG2102 |
F | HOH2207 |
F | HOH2212 |
site_id | AD6 |
Number of Residues | 5 |
Details | binding site for residue MG R 4301 |
Chain | Residue |
V | MFX2101 |
V | HOH2201 |
V | HOH2204 |
V | HOH2206 |
W | HOH2210 |
site_id | AD7 |
Number of Residues | 4 |
Details | binding site for residue GOL R 4302 |
Chain | Residue |
R | GLY152 |
R | ASN153 |
R | GLU154 |
R | ARG155 |
site_id | AD8 |
Number of Residues | 6 |
Details | binding site for residue GOL R 4303 |
Chain | Residue |
R | ARG366 |
R | THR367 |
R | ASN370 |
R | TYR451 |
R | GLU454 |
R | HOH4426 |
site_id | AD9 |
Number of Residues | 6 |
Details | binding site for residue GOL R 4304 |
Chain | Residue |
R | ARG69 |
R | ASP73 |
T | GLN56 |
T | ARG69 |
T | ASP73 |
R | GLN56 |
site_id | AE1 |
Number of Residues | 6 |
Details | binding site for residue MG S 1001 |
Chain | Residue |
S | ASP508 |
S | ASP510 |
S | HOH1102 |
S | HOH1107 |
S | HOH1108 |
S | HOH1110 |
site_id | AE2 |
Number of Residues | 5 |
Details | binding site for residue MG T 4501 |
Chain | Residue |
V | HOH2207 |
W | MFX2101 |
W | HOH2201 |
W | HOH2208 |
W | HOH2209 |
site_id | AE3 |
Number of Residues | 4 |
Details | binding site for residue MG T 4502 |
Chain | Residue |
T | TYR322 |
T | LYS323 |
T | THR325 |
T | GLN328 |
site_id | AE4 |
Number of Residues | 5 |
Details | binding site for residue GOL T 4503 |
Chain | Residue |
T | ASP148 |
T | GLY152 |
T | ASN153 |
T | GLU154 |
T | ARG155 |
site_id | AE5 |
Number of Residues | 6 |
Details | binding site for residue MG U 1001 |
Chain | Residue |
U | ASP508 |
U | ASP510 |
U | HOH1102 |
U | HOH1103 |
U | HOH1104 |
U | HOH1105 |
site_id | AE6 |
Number of Residues | 11 |
Details | binding site for residue MFX V 2101 |
Chain | Residue |
R | SER84 |
R | MG4301 |
S | GLU477 |
T | ARG122 |
V | DC2012 |
V | DA2013 |
V | HOH2201 |
V | HOH2204 |
V | HOH2206 |
W | DT8 |
W | DG2009 |
site_id | AE7 |
Number of Residues | 13 |
Details | binding site for residue MFX W 2101 |
Chain | Residue |
R | ARG122 |
R | PTR123 |
T | SER84 |
T | MG4501 |
U | ASP437 |
U | GLU477 |
V | DT8 |
V | DG2009 |
W | DC2012 |
W | DA2013 |
W | HOH2201 |
W | HOH2208 |
W | HOH2209 |
site_id | AE8 |
Number of Residues | 3 |
Details | binding site for residue MG W 2102 |
Chain | Residue |
W | MFX2103 |
W | HOH2202 |
W | HOH2206 |
site_id | AE9 |
Number of Residues | 6 |
Details | binding site for residue MFX W 2103 |
Chain | Residue |
V | DT2019 |
W | DG1 |
W | DA2 |
W | MG2102 |
W | HOH2202 |
W | HOH2206 |
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 | 12 |
Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01898 |
Chain | Residue | Details |
B | GLU435 | |
U | GLU435 | |
U | ASP508 | |
U | ASP510 | |
B | ASP508 | |
B | ASP510 | |
D | GLU435 | |
D | ASP508 | |
D | ASP510 | |
S | GLU435 | |
S | ASP508 | |
S | ASP510 |
site_id | SWS_FT_FI2 |
Number of Residues | 8 |
Details | SITE: Interaction with DNA => ECO:0000255|HAMAP-Rule:MF_01898 |
Chain | Residue | Details |
B | LYS460 | |
B | ASN463 | |
D | LYS460 | |
D | ASN463 | |
S | LYS460 | |
S | ASN463 | |
U | LYS460 | |
U | ASN463 |