SIMILAR PATTERNS OF AMINO ACIDS FOR 4GKI_H_KANH301_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 4gkiG-1gt91:
0.0
4gkiH-1gt91:
0.0		 4gkiG-1gt91:
24.04
4gkiH-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)
 0.33A 4gkiG-1nd4A:
31.2
4gkiH-1nd4A:
31.5		 4gkiG-1nd4A:
33.94
4gkiH-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 4gkiG-1nd4A:
31.2
4gkiH-1nd4A:
31.5		 4gkiG-1nd4A:
33.94
4gkiH-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.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		5 ASP A 457
ASN A 255
GLU A 221
ASP A 227
GLU A 228
 None
 1.20A 4gkiG-1t1eA:
1.4
4gkiH-1t1eA:
0.6		 4gkiG-1t1eA:
19.77
4gkiH-1t1eA:
19.77
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
 1.42A 4gkiG-3lppA:
0.6
4gkiH-3lppA:
1.8		 4gkiG-3lppA:
16.67
4gkiH-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.
3top MALTASE-GLUCOAMYLASE
, INTESTINAL

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		5 HIS A1522
ASP A1420
ASP A1157
ASP A1555
GLU A1136
 None
ACR  A   1 (-3.6A)
ACR  A   1 (-2.6A)
None
None
 1.34A 4gkiG-3topA:
0.0
4gkiH-3topA:
1.4		 4gkiG-3topA:
14.57
4gkiH-3topA:
14.57
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)
 0.19A 4gkiG-4gkhA:
38.5
4gkiH-4gkhA:
40.8		 4gkiG-4gkhA:
100.00
4gkiH-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)
 0.67A 4gkiG-4gkhA:
38.5
4gkiH-4gkhA:
40.8		 4gkiG-4gkhA:
100.00
4gkiH-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
 1.35A 4gkiG-4guaA:
0.0
4gkiH-4guaA:
0.0		 4gkiG-4guaA:
19.58
4gkiH-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)
 1.31A 4gkiG-4mijA:
0.9
4gkiH-4mijA:
0.2		 4gkiG-4mijA:
23.14
4gkiH-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)
 1.29A 4gkiG-4n8yA:
0.8
4gkiH-4n8yA:
0.2		 4gkiG-4n8yA:
22.06
4gkiH-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)
 1.29A 4gkiG-4ovrA:
0.7
4gkiH-4ovrA:
undetectable		 4gkiG-4ovrA:
23.39
4gkiH-4ovrA:
23.39