SIMILAR PATTERNS OF AMINO ACIDS FOR 5IQC_B_51GB600_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.
1kcm PHOSPHATIDYLINOSITOL
TRANSFER PROTEIN
ALPHA

(Mus musculus) 		PF02121
(IP_trans) 		5 ASP A 119
TYR A 194
GLU A   6
GLU A 124
TYR A 141
 None
 1.45A 5iqcB-1kcmA:
0.0		 5iqcB-1kcmA:
23.75
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)
 1.44A 5iqcB-1xfiA:
2.1		 5iqcB-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.
3a2f DNA POLYMERASE

(Pyrococcus
furiosus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 ASP A 315
ASP A 141
TYR A 311
GLU A 288
GLU A 294
 None
 1.48A 5iqcB-3a2fA:
0.0		 5iqcB-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
TYR A 311
GLU A 288
GLU A 294
TYR A 291
 None
 1.36A 5iqcB-3a2fA:
0.0		 5iqcB-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)
 1.47A 5iqcB-3ckzA:
0.8		 5iqcB-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.
3ol2 PLEXIN-B1
SEMAPHORIN-4D

(Homo sapiens) 		PF00047
(ig)
PF01403
(Sema)
PF01437
(PSI) 		5 SER B 199
ASP B 139
TYR B 200
GLU B 201
GLU A 200
 None
 1.10A 5iqcB-3ol2B:
0.0		 5iqcB-3ol2B:
17.65
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)
 1.47A 5iqcB-3ti8A:
0.3		 5iqcB-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.
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
 1.48A 5iqcB-4hzzA:
0.8		 5iqcB-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.
4o3s DNA POLYMERASE ETA

(Homo sapiens) 		PF00817
(IMS)
PF11799
(IMS_C) 		5 SER A 257
GLU A 306
GLU A 110
TYR A 118
GLU A 116
 None
None
None
None
MG  A 503 (-3.0A)
 1.46A 5iqcB-4o3sA:
1.2		 5iqcB-4o3sA:
21.82
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 5iqcB-5gz4A:
0.5		 5iqcB-5gz4A:
16.73
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
 0.46A 5iqcB-6ceyA:
42.7		 5iqcB-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 TYR A 408
GLU A 411
GLU A 415
GLU A 416
TYR A 448
GLU A 451
 None
 0.93A 5iqcB-6ceyA:
42.7		 5iqcB-6ceyA:
100.00