SIMILAR PATTERNS OF AMINO ACIDS FOR 5IQD_C_RIOC600_0

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.
1btn BETA-SPECTRIN

(Mus musculus) 		PF15410
(PH_9) 		5 ASP A  82
SER A  20
GLU A  12
VAL A  54
GLU A  53
 None
 1.29A 5iqdC-1btnA:
0.0		 5iqdC-1btnA:
15.41
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.
1d6m DNA TOPOISOMERASE
III

(Escherichia
coli) 		PF01131
(Topoisom_bac)
PF01751
(Toprim) 		5 ASP A 520
SER A 576
SER A 582
GLU A 583
GLU A 525
 None
 1.33A 5iqdC-1d6mA:
1.5		 5iqdC-1d6mA:
18.86
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis) 		PF00128
(Alpha-amylase) 		5 ASP A 283
SER A 320
GLU A 308
TYR A 271
GLU A 266
 None
 1.22A 5iqdC-1ua7A:
undetectable		 5iqdC-1ua7A:
21.30
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.
1xrs D-LYSINE
5,6-AMINOMUTASE BETA
SUBUNIT

(Acetoanaerobium
sticklandii) 		PF02310
(B12-binding)
PF16554
(OAM_dimer) 		5 GLU B 108
SER B 105
GLU B 107
GLU B 102
GLU B  46
 None
 1.44A 5iqdC-1xrsB:
undetectable		 5iqdC-1xrsB:
20.74
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.
2gqs PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Escherichia
coli) 		PF01259
(SAICAR_synt) 		5 SER A 194
ASN A  50
GLU A 192
VAL A  92
GLU A  90
 None
None
None
C2R  A 242 ( 4.5A)
MG  A 240 ( 2.4A)
 1.36A 5iqdC-2gqsA:
2.4		 5iqdC-2gqsA:
22.74
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.
2h2y UBIQUITIN-CONJUGATIN
G ENZYME

(Plasmodium
falciparum) 		PF00179
(UQ_con) 		5 SER A 120
ASN A  31
GLU A  28
VAL A 108
TYR A 113
 None
 1.49A 5iqdC-2h2yA:
0.8		 5iqdC-2h2yA:
21.26
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.
2qpm CYTOKININ
DEHYDROGENASE 1

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 SER A 456
ASN A 399
GLU A 288
GLU A 331
GLU A 381
 246  A1536 (-3.3A)
246  A1536 (-3.4A)
None
None
246  A1536 (-3.3A)
 1.42A 5iqdC-2qpmA:
0.0		 5iqdC-2qpmA:
17.33
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.
2xfb E1 ENVELOPE
GLYCOPROTEIN
E2 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus;
Chikungunya
virus) 		PF01589
(Alpha_E1_glycop)
PF00943
(Alpha_E2_glycop) 		5 ASN B 103
SER A 113
GLU B 104
GLU A  50
VAL A 108
 None
 1.16A 5iqdC-2xfbB:
0.0		 5iqdC-2xfbB:
20.00
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.
3w3s TYPE-2 SERINE--TRNA
LIGASE

(Methanopyrus
kandleri) 		PF00587
(tRNA-synt_2b) 		5 SER A  53
SER A   6
GLU A   8
GLU A  64
VAL A  80
 None
 1.40A 5iqdC-3w3sA:
undetectable		 5iqdC-3w3sA:
19.81
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.
3wwp (S)-HYDROXYNITRILE
LYASE

(Baliospermum
montanum) 		PF00561
(Abhydrolase_1) 		5 SER A  58
GLU A  55
VAL A  97
TYR A  93
GLU A  95
 None
 1.27A 5iqdC-3wwpA:
0.1		 5iqdC-3wwpA:
21.05
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.
3zdm SMALL GLUTAMINE-RICH
TETRATRICOPEPTIDE
REPEAT- CONTAINING
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF16546
(SGTA_dimer) 		5 ASP A  38
SER A  41
SER A  52
VAL A  20
GLU A  21
 None
 1.38A 5iqdC-3zdmA:
undetectable		 5iqdC-3zdmA:
15.97
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.
4gl6 HYPOTHETICAL PROTEIN

([Ruminococcus]
gnavus) 		PF16440
(DUF5037) 		5 SER A 222
GLU A 230
GLU A 225
VAL A 202
TYR A 238
 None
 1.43A 5iqdC-4gl6A:
4.2		 5iqdC-4gl6A:
25.08
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.
4o7z PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Pyrococcus
horikoshii) 		PF01259
(SAICAR_synt) 		5 SER A 193
ASN A  49
GLU A 191
VAL A  91
GLU A  89
 None
None
None
5GP  A 301 ( 4.5A)
5GP  A 301 ( 3.9A)
 1.44A 5iqdC-4o7zA:
2.8		 5iqdC-4o7zA:
24.22
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.
4o8v ALGINATE
BIOSYNTHESIS PROTEIN
ALGJ

(Pseudomonas
putida) 		PF16822
(ALGX) 		5 ASN A 292
TYR A 289
GLU A 343
TYR A 348
GLU A  93
 None
 1.37A 5iqdC-4o8vA:
undetectable		 5iqdC-4o8vA:
20.30
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.
4qfu GLYCOSIDE HYDROLASE
FAMILY 5

(Bacteroides
vulgatus) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		5 ASP A 391
SER A 408
ASN A 406
TYR A 455
SER A 453
 None
 1.37A 5iqdC-4qfuA:
undetectable		 5iqdC-4qfuA:
22.18
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.
4qhq LIPOPROTEIN

(Burkholderia
cenocepacia) 		PF03180
(Lipoprotein_9) 		5 SER A 111
ASN A 229
GLU A 221
SER A 225
VAL A 200
 MET  A 301 (-3.2A)
MET  A 301 (-3.0A)
None
None
None
 1.33A 5iqdC-4qhqA:
0.9		 5iqdC-4qhqA:
19.87
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.
4wj3 GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A
ASPARTYL/GLUTAMYL-TR
NA(ASN/GLN)
AMIDOTRANSFERASE
SUBUNIT B

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		PF01425
(Amidase)
PF02637
(GatB_Yqey)
PF02934
(GatB_N) 		5 ASP B 277
SER A 206
ASN A 318
GLU A 314
VAL B  75
 None
 1.38A 5iqdC-4wj3B:
undetectable		 5iqdC-4wj3B:
17.08
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.
5bv5 CYTOCHROME P450 119

(Sulfolobus
solfataricus) 		PF00067
(p450) 		5 ASP A 224
SER A 251
ASN A 355
TYR A 250
GLU A 296
 None
 1.36A 5iqdC-5bv5A:
0.2		 5iqdC-5bv5A:
23.77
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.
5ce5 TRIACYLGLYCEROL
LIPASE

(Geobacillus
thermocatenulatus) 		no annotation 5 TYR A 137
GLU A 134
SER A 131
GLU A 133
VAL A 143
 None
 1.48A 5iqdC-5ce5A:
undetectable		 5iqdC-5ce5A:
20.59
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.
5ve8 KAP123

(Kluyveromyces
lactis) 		no annotation 5 ASP A 465
SER A 505
ASN A 556
GLU A 548
GLU A 555
 None
 1.30A 5iqdC-5ve8A:
1.2		 5iqdC-5ve8A:
15.85
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 10 ASP A 374
SER A 376
ASN A 378
TYR A 408
GLU A 411
SER A 413
GLU A 416
VAL A 444
TYR A 448
GLU A 451
 GNP  A 500 (-4.6A)
None
None
None
None
None
None
None
None
None
 0.29A 5iqdC-6ceyA:
18.1		 5iqdC-6ceyA:
undetectable
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 6 GLU A 411
SER A 413
GLU A 415
GLU A 416
VAL A 444
GLU A 445
 None
 1.06A 5iqdC-6ceyA:
18.1		 5iqdC-6ceyA:
undetectable
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 7 SER A 376
ASN A 378
GLU A 411
SER A 413
GLU A 416
VAL A 444
GLU A 445
 None
 0.85A 5iqdC-6ceyA:
18.1		 5iqdC-6ceyA:
undetectable
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.
6cey BIFUNCTIONAL AAC/APH

(Staphylococcus
aureus) 		no annotation 8 TYR A 408
GLU A 411
SER A 413
GLU A 415
GLU A 416
VAL A 444
TYR A 448
GLU A 451
 None
 0.75A 5iqdC-6ceyA:
18.1		 5iqdC-6ceyA:
undetectable