SIMILAR PATTERNS OF AMINO ACIDS FOR 4GKI_D_KAND301_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
 1.31A 4gkiC-1gt91:
0.0
4gkiD-1gt91:
0.0		 4gkiC-1gt91:
24.04
4gkiD-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)
 0.32A 4gkiC-1nd4A:
31.0
4gkiD-1nd4A:
31.6		 4gkiC-1nd4A:
33.94
4gkiD-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)
 0.91A 4gkiC-1nd4A:
31.0
4gkiD-1nd4A:
31.6		 4gkiC-1nd4A:
33.94
4gkiD-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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		5 HIS A 147
ASP A 101
ARG A 123
GLU A  56
GLU A 118
 None
 1.31A 4gkiC-1yw6A:
0.0
4gkiD-1yw6A:
0.0		 4gkiC-1yw6A:
22.45
4gkiD-1yw6A:
22.45
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 HIS A 538
ASP A 443
ASP A 203
ASP A 571
GLU A 182
 None
3CU  A1001 (-2.7A)
GOL  A3001 (-2.6A)
3CU  A1001 ( 4.8A)
None
 1.39A 4gkiC-3cttA:
0.0
4gkiD-3cttA:
1.5		 4gkiC-3cttA:
15.32
4gkiD-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.
3ipw HYDROLASE TATD
FAMILY PROTEIN

(Entamoeba
histolytica) 		PF01026
(TatD_DNase) 		5 HIS A 176
ASP A  55
ARG A 261
GLU A 113
ASP A  14
 None
 1.35A 4gkiC-3ipwA:
0.0
4gkiD-3ipwA:
0.0		 4gkiC-3ipwA:
20.35
4gkiD-3ipwA:
20.35
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 HIS A 567
ASP A 472
ASP A 231
ASP A 600
GLU A 210
 None
TRS  A6001 (-3.2A)
None
None
None
 1.41A 4gkiC-3lppA:
0.0
4gkiD-3lppA:
0.6		 4gkiC-3lppA:
16.67
4gkiD-3lppA:
16.67
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)
 0.18A 4gkiC-4gkhA:
38.3
4gkiD-4gkhA:
40.8		 4gkiC-4gkhA:
100.00
4gkiD-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)
 0.68A 4gkiC-4gkhA:
38.3
4gkiD-4gkhA:
40.8		 4gkiC-4gkhA:
100.00
4gkiD-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 SER A1297
HIS A1329
ASP A1343
ASP A1485
ASN A1447
 None
 1.33A 4gkiC-4guaA:
0.0
4gkiD-4guaA:
0.6		 4gkiC-4guaA:
19.58
4gkiD-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 SER A 237
HIS A 236
ASN A 214
GLU A 213
GLU A 241
 None
None
GTR  A 405 ( 3.0A)
CL  A 404 (-3.6A)
GTR  A 405 ( 2.9A)
 1.33A 4gkiC-4mijA:
0.5
4gkiD-4mijA:
0.5		 4gkiC-4mijA:
23.14
4gkiD-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 SER A 229
HIS A 228
ASN A 206
GLU A 205
GLU A 233
 None
None
ADA  A 401 (-2.9A)
None
GTR  A 402 (-2.8A)
 1.30A 4gkiC-4n8yA:
undetectable
4gkiD-4n8yA:
undetectable		 4gkiC-4n8yA:
22.06
4gkiD-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.
4ovr TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Xanthobacter
autotrophicus) 		PF03480
(DctP) 		5 SER A 231
HIS A 230
ASN A 208
GLU A 207
GLU A 235
 None
None
GTR  A 403 (-3.0A)
None
GTR  A 403 (-2.9A)
 1.31A 4gkiC-4ovrA:
undetectable
4gkiD-4ovrA:
undetectable		 4gkiC-4ovrA:
23.39
4gkiD-4ovrA:
23.39
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		5 ASP A 198
ARG A 205
ASN A 260
GLU A  83
GLU A 266
 None
 1.41A 4gkiC-4sliA:
undetectable
4gkiD-4sliA:
1.6		 4gkiC-4sliA:
18.35
4gkiD-4sliA:
18.35
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 HIS A 612
ASP A 518
ASP A 282
ASP A 645
GLU A 262
 None
ACR  A1015 (-3.1A)
ACR  A1015 (-2.6A)
None
None
 1.43A 4gkiC-5nn8A:
undetectable
4gkiD-5nn8A:
undetectable		 4gkiC-5nn8A:
14.51
4gkiD-5nn8A:
14.51