SIMILAR PATTERNS OF AMINO ACIDS FOR 5IQC_D_51GD600_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.
1xfi UNKNOWN PROTEIN

(Arabidopsis
thaliana) 		PF01937
(DUF89) 		5 ASP A 256
SER A 253
ASP A 220
GLU A 108
GLU A 325
 MG  A 400 (-2.6A)
None
MG  A 400 (-2.7A)
None
MG  A 401 (-3.4A)
 1.31A 5iqcD-1xfiA:
2.4		 5iqcD-1xfiA:
22.14
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.
2gq3 MALATE SYNTHASE G

(Mycobacterium
tuberculosis) 		PF01274
(Malate_synthase) 		5 ASP A  58
TYR A 709
GLU A 711
GLU A 434
GLU A 405
 None
None
None
MG  A1000 ( 2.7A)
None
 1.49A 5iqcD-2gq3A:
2.5		 5iqcD-2gq3A:
17.28
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.
3a2f DNA POLYMERASE

(Pyrococcus
furiosus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 141
TYR A 311
GLU A 288
GLU A 294
TYR A 291
 None
 1.49A 5iqcD-3a2fA:
0.0		 5iqcD-3a2fA:
18.09
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.
3a2f DNA POLYMERASE

(Pyrococcus
furiosus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 315
ASP A 141
GLU A 288
GLU A 294
TYR A 291
 None
 1.07A 5iqcD-3a2fA:
0.0		 5iqcD-3a2fA:
18.09
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.
3ckz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER A 179
ASP A 198
GLU A 119
GLU A 277
GLU A 227
 ZMR  A 469 ( 4.6A)
None
ZMR  A 469 (-3.5A)
ZMR  A 469 (-3.7A)
ZMR  A 469 (-3.5A)
 1.45A 5iqcD-3ckzA:
undetectable		 5iqcD-3ckzA:
21.52
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.
3ti8 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER A 179
ASP A 198
GLU A 119
GLU A 277
GLU A 227
 LNV  A 901 ( 4.6A)
None
LNV  A 901 (-3.6A)
LNV  A 901 ( 3.8A)
LNV  A 901 (-3.4A)
 1.45A 5iqcD-3ti8A:
0.2		 5iqcD-3ti8A:
22.33
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.
3uhj PROBABLE GLYCEROL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00465
(Fe-ADH) 		5 ASP A 143
SER A 147
ASP A 193
GLU A 270
GLU A 200
 ZN  A 388 (-3.6A)
None
ZN  A 388 (-2.2A)
None
None
 1.30A 5iqcD-3uhjA:
1.5		 5iqcD-3uhjA:
22.64
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.
4cpn NEURAMINIDASE

(Influenza B
virus) 		PF00064
(Neur) 		5 SER A 177
ASP A 196
GLU A 116
GLU A 275
GLU A 225
 ZMR  A 700 ( 4.6A)
None
ZMR  A 700 (-3.5A)
ZMR  A 700 (-3.4A)
ZMR  A 700 (-3.5A)
 1.49A 5iqcD-4cpnA:
0.0		 5iqcD-4cpnA:
21.61
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.
4hzz NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 SER A 179
ASP A 198
GLU A 119
GLU A 277
GLU A 227
 G39  A 509 ( 4.5A)
None
G39  A 509 (-3.3A)
G39  A 509 ( 4.0A)
None
 1.47A 5iqcD-4hzzA:
0.0		 5iqcD-4hzzA:
22.03
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.
5fjn L-AMINO ACID
DEAMINASE

(Cosenzaea
myxofaciens) 		PF01266
(DAO) 		5 SER A 368
GLU A 244
GLU A 371
GLU A  37
GLU A  92
 None
None
None
None
FAD  A 500 (-3.5A)
 1.50A 5iqcD-5fjnA:
0.0		 5iqcD-5fjnA:
21.41
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.
5gz4 SNAKE VENOM
PHOSPHODIESTERASE
(PDE)

(Naja atra) 		PF01033
(Somatomedin_B)
PF01223
(Endonuclease_NS)
PF01663
(Phosphodiest) 		5 ASP A 147
SER A 145
ASP A 305
TYR A 300
GLU A 255
 ZN  A 902 (-1.8A)
None
ZN  A 901 (-2.2A)
None
None
 1.10A 5iqcD-5gz4A:
0.1		 5iqcD-5gz4A:
16.73
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.
5ksw DIHYDROOROTATE
DEHYDROGENASE B
(NAD(+)), ELECTRON
TRANSFER SUBUNIT

(Lactococcus
lactis) 		PF00175
(NAD_binding_1)
PF10418
(DHODB_Fe-S_bind) 		5 SER B  59
TYR B 126
GLU B 127
GLU B 133
GLU B 159
 None
 1.35A 5iqcD-5kswB:
undetectable		 5iqcD-5kswB:
22.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 8 ASP A 374
SER A 376
ASP A 396
TYR A 408
GLU A 411
GLU A 416
TYR A 448
GLU A 451
 GNP  A 500 (-4.6A)
None
MG  A 702 ( 4.8A)
None
None
None
None
None
 0.54A 5iqcD-6ceyA:
41.6		 5iqcD-6ceyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 6 ASP A 374
SER A 376
TYR A 408
GLU A 411
GLU A 416
GLU A 445
 GNP  A 500 (-4.6A)
None
None
None
None
None
 0.77A 5iqcD-6ceyA:
41.6		 5iqcD-6ceyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 5 TYR A 408
GLU A 411
GLU A 415
GLU A 416
GLU A 445
 None
 1.06A 5iqcD-6ceyA:
41.6		 5iqcD-6ceyA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 5 TYR A 408
GLU A 411
GLU A 415
GLU A 416
TYR A 448
 None
 0.98A 5iqcD-6ceyA:
41.6		 5iqcD-6ceyA:
100.00