SIMILAR PATTERNS OF AMINO ACIDS FOR 4FEW_E_KANE301_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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 ASP 1 268
ASN 1  66
GLU 1  32
ASP 1  38
GLU 1  39
 None
 1.33A 4fewE-1gt91:
0.0
4fewF-1gt91:
0.0		 4fewE-1gt91:
24.04
4fewF-1gt91:
24.04
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
ASP A 190
ASP A 261
GLU A 262
 KAN  A1300 (-3.7A)
KAN  A1300 (-3.2A)
KAN  A1300 ( 2.8A)
KAN  A1300 (-3.8A)
KAN  A1300 (-3.1A)
 0.30A 4fewE-1nd4A:
31.6
4fewF-1nd4A:
31.4		 4fewE-1nd4A:
33.94
4fewF-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)
 0.94A 4fewE-1nd4A:
31.6
4fewF-1nd4A:
31.4		 4fewE-1nd4A:
33.94
4fewF-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.
2nn6 POLYMYOSITIS/SCLEROD
ERMA AUTOANTIGEN 1

(Homo sapiens) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 SER A 150
ASN A 210
GLU A 211
ASP A 208
HIS A 141
 None
 1.41A 4fewE-2nn6A:
0.0
4fewF-2nn6A:
0.0		 4fewE-2nn6A:
21.34
4fewF-2nn6A:
21.34
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 SER A 297
ASP A 203
ASP A 571
ASP A 542
HIS A 538
 None
GOL  A3001 (-2.6A)
3CU  A1001 ( 4.8A)
3CU  A1001 ( 2.5A)
None
 1.44A 4fewE-3cttA:
0.5
4fewF-3cttA:
0.5		 4fewE-3cttA:
15.32
4fewF-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.
3ctt MALTASE-GLUCOAMYLASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 SER A 297
ASP A 443
ASP A 203
ASP A 571
HIS A 538
 None
3CU  A1001 (-2.7A)
GOL  A3001 (-2.6A)
3CU  A1001 ( 4.8A)
None
 1.28A 4fewE-3cttA:
0.5
4fewF-3cttA:
0.5		 4fewE-3cttA:
15.32
4fewF-3cttA:
15.32
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) 		7 ASP A 165
ASP A 167
ASP A 198
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 (-3.9A)
KAN  A 301 (-3.7A)
KAN  A 301 (-3.8A)
KAN  A 301 (-3.2A)
 0.15A 4fewE-4gkhA:
40.8
4fewF-4gkhA:
38.8		 4fewE-4gkhA:
100.00
4fewF-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) 		7 ASP A 165
ASP A 167
ASP A 198
ASN A 234
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)
None
KAN  A 301 (-3.8A)
KAN  A 301 (-3.2A)
 0.65A 4fewE-4gkhA:
40.8
4fewF-4gkhA:
38.8		 4fewE-4gkhA:
100.00
4fewF-4gkhA:
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.
4gua NON-STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF01661
(Macro)
PF01707
(Peptidase_C9) 		5 ASP A1343
ASP A1485
ASN A1447
SER A1297
HIS A1329
 None
 1.35A 4fewE-4guaA:
1.3
4fewF-4guaA:
0.3		 4fewE-4guaA:
19.58
4fewF-4guaA:
19.58
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.
4gua NON-STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF01661
(Macro)
PF01707
(Peptidase_C9) 		5 SER A1350
ASP A1343
ASN A1447
SER A1297
HIS A1329
 None
 1.38A 4fewE-4guaA:
1.3
4fewF-4guaA:
0.3		 4fewE-4guaA:
19.58
4fewF-4guaA:
19.58
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.
4mij TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Polaromonas sp.
JS666) 		PF03480
(DctP) 		5 ASN A 214
GLU A 213
GLU A 241
SER A 237
HIS A 236
 GTR  A 405 ( 3.0A)
CL  A 404 (-3.6A)
GTR  A 405 ( 2.9A)
None
None
 1.29A 4fewE-4mijA:
0.1
4fewF-4mijA:
0.8		 4fewE-4mijA:
23.14
4fewF-4mijA:
23.14
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.
4n8y PUTATIVE TRAP-TYPE
C4-DICARBOXYLATE
TRANSPORT SYSTEM,
BINDING PERIPLASMIC
PROTEIN (DCTP
SUBUNIT)

(Bradyrhizobium
sp. BTAi1) 		PF03480
(DctP) 		5 ASN A 206
GLU A 205
GLU A 233
SER A 229
HIS A 228
 ADA  A 401 (-2.9A)
None
GTR  A 402 (-2.8A)
None
None
 1.27A 4fewE-4n8yA:
0.0
4fewF-4n8yA:
0.8		 4fewE-4n8yA:
22.06
4fewF-4n8yA:
22.06
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.
4nx1 C4-DICARBOXYLATE
TRANSPORT SYSTEM
SUBSTRATE-BINDING
PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF03480
(DctP) 		5 ASP A 279
ASN A 213
GLU A 212
SER A 236
HIS A 235
 None
X1X  A 401 (-3.1A)
None
None
None
 1.30A 4fewE-4nx1A:
0.0
4fewF-4nx1A:
0.0		 4fewE-4nx1A:
20.06
4fewF-4nx1A:
20.06
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.
4ovr TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Xanthobacter
autotrophicus) 		PF03480
(DctP) 		5 ASN A 208
GLU A 207
GLU A 235
SER A 231
HIS A 230
 GTR  A 403 (-3.0A)
None
GTR  A 403 (-2.9A)
None
None
 1.28A 4fewE-4ovrA:
undetectable
4fewF-4ovrA:
0.7		 4fewE-4ovrA:
23.39
4fewF-4ovrA:
23.39