SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'HIW'


List of Similar Pattern of Amino Acids

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 Interface HETATM RMSD Dali
Z-score		 Seq.
Identity (%)		 View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1OQ5_A_CELA701_1
(CARBONIC ANHYDRASE
II)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		5 / 12 ASN A  98
HIS A  72
VAL A 203
LEU A 176
THR A 177
 NA  A 303 (-3.6A)
ZN  A 301 (-3.2A)
None
None
HIW  A 321 ( 2.8A)
 1.17A 1oq5A-5b1uA:
undetectable		 1oq5A-5b1uA:
25.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2IT4_A_PPFA500_1
(CARBONIC ANHYDRASE 1)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 8 ALA A 213
VAL A 218
LEU A 176
THR A 177
 None
HIW  A 321 (-4.6A)
None
HIW  A 321 ( 2.8A)
 0.80A 2it4A-5b1uA:
undetectable		 2it4A-5b1uA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 7 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.16A 4feuB-5b1uA:
undetectable		 4feuB-5b1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEU_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 8 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.10A 4feuF-5b1uA:
undetectable		 4feuF-5b1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 7 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.17A 4fevB-5b1uA:
undetectable		 4fevB-5b1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 7 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.12A 4fevD-5b1uA:
undetectable		 4fevD-5b1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEV_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 7 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.11A 4fevF-5b1uA:
undetectable		 4fevF-5b1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 7 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.14A 4fewB-5b1uA:
undetectable		 4fewB-5b1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 8 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.12A 4fewD-5b1uA:
undetectable		 4fewD-5b1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEW_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 8 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.16A 4fewF-5b1uA:
undetectable		 4fewF-5b1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4FEX_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 7 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.14A 4fexB-5b1uA:
undetectable		 4fexB-5b1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_B_KANB301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 8 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.09A 4gkhB-5b1uA:
undetectable		 4gkhB-5b1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_D_KAND301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 8 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.15A 4gkhD-5b1uA:
undetectable		 4gkhD-5b1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_F_KANF301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 8 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.11A 4gkhF-5b1uA:
undetectable		 4gkhF-5b1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_G_KANG301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 7 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.12A 4gkhG-5b1uA:
undetectable		 4gkhG-5b1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKH_K_KANK301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 8 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.14A 4gkhC-5b1uA:
undetectable
4gkhK-5b1uA:
undetectable		 4gkhC-5b1uA:
21.36
4gkhK-5b1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_A_KANA301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 8 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.13A 4gkiA-5b1uA:
undetectable		 4gkiA-5b1uA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4GKI_C_KANC301_1
(AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		4 / 8 ASP A  76
ASP A 174
GLU A 217
ASP A  41
 ZN  A 302 ( 2.5A)
None
HIW  A 321 ( 4.6A)
None
 1.09A 4gkiC-5b1uA:
undetectable		 4gkiC-5b1uA:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		10 / 11 HIS A  72
HIS A  74
ASP A  76
HIS A  77
HIS A 150
SER A 175
THR A 177
VAL A 179
HIS A 215
GLU A 217
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 ( 2.5A)
ZN  A 302 ( 3.3A)
ZN  A 301 (-3.2A)
HIW  A 321 ( 2.6A)
HIW  A 321 ( 2.8A)
NA  A 312 (-4.0A)
ZN  A 302 ( 3.3A)
HIW  A 321 ( 4.6A)
 0.41A 5ayaA-5b1uA:
47.5		 5ayaA-5b1uA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5AYA_A_X8ZA307_1
(METALLO-BETA-LACTAMA
SE)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		10 / 11 HIS A  72
HIS A  74
ASP A  76
HIS A 150
SER A 175
THR A 177
VAL A 179
HIS A 215
GLU A 217
ARG A 252
 ZN  A 301 (-3.2A)
ZN  A 301 (-3.1A)
ZN  A 302 ( 2.5A)
ZN  A 301 (-3.2A)
HIW  A 321 ( 2.6A)
HIW  A 321 ( 2.8A)
NA  A 312 (-4.0A)
ZN  A 302 ( 3.3A)
HIW  A 321 ( 4.6A)
HIW  A 321 (-3.8A)
 0.62A 5ayaA-5b1uA:
47.5		 5ayaA-5b1uA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5SYE_B_TA1B502_1
(TUBULIN BETA CHAIN)		 5b1u METALLO-BETA-LACTAMA
SE
(Serratia
marcescens) 		5 / 12 GLU A 204
VAL A 203
ALA A 173
GLN A 113
GLY A 149
 None
None
None
HIW  A 321 (-3.0A)
None
 1.14A 5syeB-5b1uA:
undetectable		 5syeB-5b1uA:
21.48