SIMILAR PATTERNS OF AMINO ACIDS FOR 4FEU_A_KANA301_1

List of similar pattern of amino acids derived from ASSAM search

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 link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. 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.
1kp2 ARGININOSUCCINATE
SYNTHETASE

(Escherichia
coli) 		PF00764
(Arginosuc_synth) 		5 ASP A 135
ARG A 106
GLU A 207
ASP A 193
SER A 287
 ATP  A 459 (-3.5A)
ATP  A 459 ( 4.0A)
None
ATP  A 459 (-2.8A)
None
 1.49A 4feuA-1kp2A:
0.7
4feuB-1kp2A:
0.0		 4feuA-1kp2A:
20.13
4feuB-1kp2A:
20.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1l8t AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Enterococcus
faecalis) 		PF01636
(APH) 		5 ASP A 190
ASP A 208
GLU A 230
ASP A 261
GLU A 262
 KAN  A   1 (-3.2A)
MG  A 302 (-2.1A)
KAN  A   1 (-2.8A)
KAN  A   1 (-3.8A)
KAN  A   1 (-3.1A)
 0.94A 4feuA-1l8tA:
28.9
4feuB-1l8tA:
26.6		 4feuA-1l8tA:
31.71
4feuB-1l8tA:
31.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nd4 AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Klebsiella
pneumoniae) 		PF01636
(APH) 		6 ASP A 157
ASP A 159
ASP A 190
ARG A 211
ASP A 261
GLU A 262
 KAN  A1300 (-3.7A)
KAN  A1300 (-3.2A)
KAN  A1300 ( 2.8A)
KAN  A1300 (-2.6A)
KAN  A1300 (-3.8A)
KAN  A1300 (-3.1A)
 0.58A 4feuA-1nd4A:
31.5
4feuB-1nd4A:
30.1		 4feuA-1nd4A:
33.94
4feuB-1nd4A:
33.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nd4 AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E

(Klebsiella
pneumoniae) 		PF01636
(APH) 		5 ASP A 157
ASP A 159
GLU A 230
ASP A 261
GLU A 262
 KAN  A1300 (-3.7A)
KAN  A1300 (-3.2A)
KAN  A1300 (-4.1A)
KAN  A1300 (-3.8A)
KAN  A1300 (-3.1A)
 0.87A 4feuA-1nd4A:
31.5
4feuB-1nd4A:
30.1		 4feuA-1nd4A:
33.94
4feuB-1nd4A:
33.94
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.
1vhe AMINOPEPTIDASE/GLUCA
NASE HOMOLOG

(Bacillus
subtilis) 		PF05343
(Peptidase_M42) 		5 ASP A 182
ASP A  45
CYH A 187
ASP A  70
GLU A 215
 ZN  A 372 (-2.5A)
None
None
None
ZN  A 372 ( 4.5A)
 1.42A 4feuA-1vheA:
undetectable
4feuB-1vheA:
0.0		 4feuA-1vheA:
22.25
4feuB-1vheA:
22.25
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.
2yik ENDOGLUCANASE

(Ruminiclostridium
thermocellum) 		PF00759
(Glyco_hydro_9) 		5 ASP A  61
ARG A 167
CYH A  72
GLU A  62
HIS A 115
 None
None
ZN  A1533 (-2.3A)
None
ZN  A1533 (-3.4A)
 1.32A 4feuA-2yikA:
undetectable
4feuB-2yikA:
undetectable		 4feuA-2yikA:
17.14
4feuB-2yikA:
17.14
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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ASP A 443
ASP A 203
ASP A 571
GLU A 182
HIS A 538
 3CU  A1001 (-2.7A)
GOL  A3001 (-2.6A)
3CU  A1001 ( 4.8A)
None
None
 1.31A 4feuA-3cttA:
0.5
4feuB-3cttA:
undetectable		 4feuA-3cttA:
15.32
4feuB-3cttA:
15.32
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 ASP A 472
ASP A 231
ASP A 600
GLU A 210
HIS A 567
 TRS  A6001 (-3.2A)
None
None
None
None
 1.36A 4feuA-3lppA:
1.1
4feuB-3lppA:
0.0		 4feuA-3lppA:
16.67
4feuB-3lppA:
16.67
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.
3nqx SECRETED
METALLOPROTEASE
MCP02

(Pseudoalteromonas
sp. SM9913) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 ASP A 411
ARG A 413
ASN A 435
GLU A 377
GLU A 369
 None
None
None
CA  A 511 (-2.7A)
ZN  A   1 (-2.3A)
 1.44A 4feuA-3nqxA:
undetectable
4feuB-3nqxA:
0.0		 4feuA-3nqxA:
22.36
4feuB-3nqxA:
22.36
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.
3q4t ACTIVIN RECEPTOR
TYPE-2A

(Homo sapiens) 		PF00069
(Pkinase) 		5 ASP A 322
ASP A 340
ARG A 202
GLU A 396
SER A 276
 None
None
SO4  A   4 (-3.8A)
None
None
 1.49A 4feuA-3q4tA:
10.0
4feuB-3q4tA:
8.0		 4feuA-3q4tA:
22.48
4feuB-3q4tA:
22.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gkh AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB

(Acinetobacter
baumannii) 		PF01636
(APH) 		8 ASP A 165
ASP A 167
ASP A 198
ARG A 219
ASN A 234
CYH A 235
ASP A 268
GLU A 269
 KAN  A 301 (-3.7A)
KAN  A 301 (-3.3A)
KAN  A 301 (-3.0A)
KAN  A 301 (-3.3A)
KAN  A 301 (-3.9A)
KAN  A 301 (-3.7A)
KAN  A 301 (-3.8A)
KAN  A 301 (-3.2A)
 0.44A 4feuA-4gkhA:
40.0
4feuB-4gkhA:
37.7		 4feuA-4gkhA:
100.00
4feuB-4gkhA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gkh AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB

(Acinetobacter
baumannii) 		PF01636
(APH) 		8 ASP A 165
ASP A 167
ASP A 198
ASN A 234
CYH A 235
GLU A 238
ASP A 268
GLU A 269
 KAN  A 301 (-3.7A)
KAN  A 301 (-3.3A)
KAN  A 301 (-3.0A)
KAN  A 301 (-3.9A)
KAN  A 301 (-3.7A)
None
KAN  A 301 (-3.8A)
KAN  A 301 (-3.2A)
 0.60A 4feuA-4gkhA:
40.0
4feuB-4gkhA:
37.7		 4feuA-4gkhA:
100.00
4feuB-4gkhA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gkh AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB

(Acinetobacter
baumannii) 		PF01636
(APH) 		8 ASP A 165
ASP A 167
ASP A 198
ASP A 216
ARG A 219
ASN A 234
CYH A 235
GLU A 269
 KAN  A 301 (-3.7A)
KAN  A 301 (-3.3A)
KAN  A 301 (-3.0A)
0J9  A 302 ( 3.7A)
KAN  A 301 (-3.3A)
KAN  A 301 (-3.9A)
KAN  A 301 (-3.7A)
KAN  A 301 (-3.2A)
 0.68A 4feuA-4gkhA:
40.0
4feuB-4gkhA:
37.7		 4feuA-4gkhA:
100.00
4feuB-4gkhA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gkh AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB

(Acinetobacter
baumannii) 		PF01636
(APH) 		8 ASP A 165
ASP A 167
ASP A 198
ASP A 216
ASN A 234
CYH A 235
GLU A 238
GLU A 269
 KAN  A 301 (-3.7A)
KAN  A 301 (-3.3A)
KAN  A 301 (-3.0A)
0J9  A 302 ( 3.7A)
KAN  A 301 (-3.9A)
KAN  A 301 (-3.7A)
None
KAN  A 301 (-3.2A)
 0.80A 4feuA-4gkhA:
40.0
4feuB-4gkhA:
37.7		 4feuA-4gkhA:
100.00
4feuB-4gkhA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4gkh AMINOGLYCOSIDE
3'-PHOSPHOTRANSFERAS
E APHA1-IAB

(Acinetobacter
baumannii) 		PF01636
(APH) 		5 ASP A 167
ARG A 148
ASN A 234
ASP A 268
GLU A 269
 KAN  A 301 (-3.3A)
None
KAN  A 301 (-3.9A)
KAN  A 301 (-3.8A)
KAN  A 301 (-3.2A)
 1.24A 4feuA-4gkhA:
40.0
4feuB-4gkhA:
37.7		 4feuA-4gkhA:
100.00
4feuB-4gkhA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4h05 AMINOGLYCOSIDE-O-PHO
SPHOTRANSFERASE VIII

(Streptomyces
rimosus) 		PF01636
(APH) 		5 ASP A 153
ASP A 184
ARG A 207
ASP A 264
GLU A 265
 None
 0.46A 4feuA-4h05A:
29.5
4feuB-4h05A:
28.1		 4feuA-4h05A:
34.03
4feuB-4h05A:
34.03
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.
5gpd STEROL REGULATORY
ELEMENT-BINDING
PROTEIN 1

(Schizosaccharomyces
pombe) 		PF09427
(DUF2014) 		5 ASP A 689
ASP A 655
ASN A 651
SER A 737
HIS A 741
 None
 1.49A 4feuA-5gpdA:
undetectable
4feuB-5gpdA:
1.0		 4feuA-5gpdA:
22.04
4feuB-5gpdA:
22.04
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.
5nn8 LYSOSOMAL
ALPHA-GLUCOSIDASE

(Homo sapiens) 		no annotation 5 ASP A 518
ASP A 282
ASP A 645
GLU A 262
HIS A 612
 ACR  A1015 (-3.1A)
ACR  A1015 (-2.6A)
None
None
None
 1.37A 4feuA-5nn8A:
2.5
4feuB-5nn8A:
2.0		 4feuA-5nn8A:
14.51
4feuB-5nn8A:
14.51