SIMILAR PATTERNS OF AMINO ACIDS FOR 4GKH_C_KANC301_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
 1.34A 4gkhC-1gt91:
0.0
4gkhD-1gt91:
0.0		 4gkhC-1gt91:
24.04
4gkhD-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) 		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)
 0.31A 4gkhC-1nd4A:
32.0
4gkhD-1nd4A:
31.4		 4gkhC-1nd4A:
33.94
4gkhD-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)
 0.97A 4gkhC-1nd4A:
32.0
4gkhD-1nd4A:
31.4		 4gkhC-1nd4A:
33.94
4gkhD-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
 1.21A 4gkhC-1t1eA:
1.7
4gkhD-1t1eA:
1.0		 4gkhC-1t1eA:
19.77
4gkhD-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.
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
 1.48A 4gkhC-3cttA:
1.7
4gkhD-3cttA:
0.0		 4gkhC-3cttA:
15.32
4gkhD-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
 1.50A 4gkhC-3lppA:
1.6
4gkhD-3lppA:
1.3		 4gkhC-3lppA:
16.67
4gkhD-3lppA:
16.67
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
 0.65A 4gkhC-4h05A:
30.0
4gkhD-4h05A:
29.6		 4gkhC-4h05A:
34.03
4gkhD-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.
4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4

(Homo sapiens) 		PF01462
(LRRNT)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 GLN A 113
ARG A 135
ASN A 187
ASP A 161
HIS A 140
 None
 1.45A 4gkhC-4kt1A:
0.0
4gkhD-4kt1A:
0.0		 4gkhC-4kt1A:
19.57
4gkhD-4kt1A:
19.57
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.
4qxf LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF01462
(LRRNT)
PF11921
(DUF3439)
PF13855
(LRR_8) 		5 GLN A 113
ARG A 135
ASN A 187
ASP A 161
HIS A 140
 None
 1.46A 4gkhC-4qxfA:
0.0
4gkhD-4qxfA:
0.0		 4gkhC-4qxfA:
22.15
4gkhD-4qxfA:
22.15
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.
5ldt MOMP PORIN

(Campylobacter
jejuni) 		PF05538
(Campylo_MOMP) 		5 GLN A 152
ASP A  21
ASP A 155
ASN A  36
GLU A 300
 CA  A 501 (-2.7A)
None
CA  A 501 (-3.3A)
None
None
 1.33A 4gkhC-5ldtA:
undetectable
4gkhD-5ldtA:
undetectable		 4gkhC-5ldtA:
21.85
4gkhD-5ldtA:
21.85