SIMILAR PATTERNS OF AMINO ACIDS FOR 4FEX_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
 1.38A 4fexD-1gt91:
0.0		 4fexD-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
ARG A 211
GLU A 230
ASP A 261
GLU A 262
 KAN  A1300 (-3.7A)
KAN  A1300 (-3.2A)
KAN  A1300 (-2.6A)
KAN  A1300 (-4.1A)
KAN  A1300 (-3.8A)
KAN  A1300 (-3.1A)
 0.95A 4fexD-1nd4A:
32.3		 4fexD-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) 		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)
 0.35A 4fexD-1nd4A:
32.3		 4fexD-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
 1.25A 4fexD-1t1eA:
0.2		 4fexD-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.
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)
 1.21A 4fexD-3nqxA:
0.0		 4fexD-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.
3rit DIPEPTIDE EPIMERASE

(Methylococcus
capsulatus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ASP A 190
ASP A 241
ASP A 321
CYH A 294
GLU A 242
 MG  A 365 ( 2.7A)
MG  A 365 ( 3.8A)
ARG  A 363 (-3.5A)
ARG  A 363 (-3.8A)
MG  A 365 ( 3.1A)
 1.41A 4fexD-3ritA:
0.0		 4fexD-3ritA:
22.10
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) 		10 ASP A 165
ASP A 167
ASP A 198
ASP A 202
ARG A 219
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)
ACT  A 305 (-4.6A)
KAN  A 301 (-3.3A)
KAN  A 301 (-3.9A)
KAN  A 301 (-3.7A)
None
KAN  A 301 (-3.8A)
KAN  A 301 (-3.2A)
 0.38A 4fexD-4gkhA:
41.4		 4fexD-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)
 1.34A 4fexD-4gkhA:
41.4		 4fexD-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
 0.64A 4fexD-4h05A:
30.3		 4fexD-4h05A:
34.03