SIMILAR PATTERNS OF AMINO ACIDS FOR 3IXL_A_PACA5000

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.
1ex9 LACTONIZING LIPASE

(Pseudomonas
aeruginosa) 		PF00561
(Abhydrolase_1) 		5 THR A 180
SER A 181
VAL A 242
GLY A 186
GLY A 240
 None
 1.27A 3ixlA-1ex9A:
2.8		 3ixlA-1ex9A:
23.63
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.
1f8w NADH PEROXIDASE

(Enterococcus
faecalis) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 SER A  38
TYR A  60
VAL A  16
GLY A  11
GLY A  12
 None
None
None
FAD  A 448 (-3.7A)
None
 1.45A 3ixlA-1f8wA:
1.1		 3ixlA-1f8wA:
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.
1fui L-FUCOSE ISOMERASE

(Escherichia
coli) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 PRO A 411
THR A 452
SER A 480
GLY A 454
GLY A 455
 None
 1.22A 3ixlA-1fuiA:
0.3		 3ixlA-1fuiA:
19.00
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.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 THR A  39
TYR A 109
SER A  81
GLY A  82
GLY A  83
 None
 1.32A 3ixlA-1hp1A:
0.2		 3ixlA-1hp1A:
18.58
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.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 THR A 550
TYR A 559
SER A 557
GLY A 556
GLY A 569
 None
 1.46A 3ixlA-1ms8A:
undetectable		 3ixlA-1ms8A:
17.92
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.
1nij HYPOTHETICAL PROTEIN
YJIA

(Escherichia
coli) 		PF02492
(cobW)
PF07683
(CobW_C) 		5 PRO A 104
CYH A  98
THR A  99
VAL A 126
GLY A  11
 None
 1.47A 3ixlA-1nijA:
0.0		 3ixlA-1nijA:
23.19
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.
1pzx HYPOTHETICAL PROTEIN
APC36103

(Geobacillus
stearothermophilus) 		PF02645
(DegV) 		5 CYH A 154
SER A 119
MET A 157
GLY A 125
GLY A 127
 None
 1.45A 3ixlA-1pzxA:
1.9		 3ixlA-1pzxA:
24.59
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.
1sqj OLIGOXYLOGLUCAN
REDUCING-END-SPECIFI
C CELLOBIOHYDROLASE

(Geotrichum sp.
M128) 		PF15899
(BNR_6) 		5 PRO A 277
THR A 335
VAL A 312
SER A 329
GLY A 333
 None
 1.45A 3ixlA-1sqjA:
undetectable		 3ixlA-1sqjA:
15.54
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.
1vbg PYRUVATE,ORTHOPHOSPH
ATE DIKINASE

(Zea mays) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 MET A 301
VAL A 246
SER A 254
GLY A 255
GLY A 248
 None
 1.21A 3ixlA-1vbgA:
1.9		 3ixlA-1vbgA:
15.69
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.
1vsl PROTEIN (INTEGRASE)

(Rous sarcoma
virus) 		PF00665
(rve) 		5 THR A 127
SER A 128
VAL A  96
SER A 124
GLY A 123
 None
None
None
None
ZN  A 200 ( 4.9A)
 1.26A 3ixlA-1vslA:
undetectable		 3ixlA-1vslA:
21.93
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.
1vyh PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
BETA SUBUNIT

(Homo sapiens) 		PF13472
(Lipase_GDSL_2) 		5 PRO A 141
THR A 175
VAL A 180
GLY A 177
GLY A 178
 None
 1.31A 3ixlA-1vyhA:
4.5		 3ixlA-1vyhA:
23.41
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1
GLYCINE
DEHYDROGENASE
SUBUNIT 2
(P-PROTEIN)

(Thermus
thermophilus;
Thermus
thermophilus) 		PF02347
(GDC-P)
PF02347
(GDC-P) 		5 PRO B  95
SER B 319
TYR A 163
GLY A  72
GLY A  71
 None
 1.27A 3ixlA-1wytB:
undetectable		 3ixlA-1wytB:
21.36
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		5 PRO A 318
THR A 366
VAL A 345
SER A 360
GLY A 364
 None
 1.50A 3ixlA-2cn3A:
undetectable		 3ixlA-2cn3A:
16.17
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.
2gkw TNF
RECEPTOR-ASSOCIATED
FACTOR 3
TUMOR NECROSIS
FACTOR RECEPTOR
SUPERFAMILY MEMBER
13C

(Homo
sapiens;
) 		no annotation
no annotation 		5 THR B 166
TYR A 395
VAL A 472
GLY A 400
GLY A 402
 None
 1.19A 3ixlA-2gkwB:
undetectable		 3ixlA-2gkwB:
7.63
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.
2gwg 4-OXALOMESACONATE
HYDRATASE

(Rhodopseudomonas
palustris) 		PF04909
(Amidohydro_2) 		5 THR A 152
SER A 153
VAL A 179
GLY A 149
GLY A 148
 None
 1.25A 3ixlA-2gwgA:
1.7		 3ixlA-2gwgA:
18.96
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.
2h9f HYPOTHETICAL PROTEIN

(Pseudomonas
aeruginosa) 		PF04303
(PrpF) 		5 THR A  68
TYR A  13
VAL A  47
GLY A  62
GLY A  60
 None
 1.30A 3ixlA-2h9fA:
undetectable		 3ixlA-2h9fA:
24.57
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.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		5 THR A 194
SER A 179
VAL A 268
GLY A 148
GLY A 225
 None
 1.31A 3ixlA-2hg4A:
2.6		 3ixlA-2hg4A:
15.48
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.
2j3h NADP-DEPENDENT
OXIDOREDUCTASE P1

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 THR A 133
TYR A 311
VAL A 168
GLY A 137
GLY A 140
 None
 1.32A 3ixlA-2j3hA:
undetectable		 3ixlA-2j3hA:
22.44
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.
2olg PRO-PHENOLOXIDASE
ACTIVATING ENZYME-I

(Holotrichia
diomphalia) 		PF00089
(Trypsin) 		5 THR A 124
SER A 143
VAL A 334
GLY A 258
GLY A 313
 None
 1.22A 3ixlA-2olgA:
undetectable		 3ixlA-2olgA:
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.
2q27 OXALYL-COA
DECARBOXYLASE

(Escherichia
coli) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 THR A 436
SER A 437
TYR A 390
VAL A 467
GLY A 432
 None
 1.18A 3ixlA-2q27A:
2.1		 3ixlA-2q27A:
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.
3b40 PROBABLE DIPEPTIDASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		5 SER A 257
VAL A 262
SER A 289
GLY A 290
GLY A 291
 None
 0.98A 3ixlA-3b40A:
undetectable		 3ixlA-3b40A:
23.74
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.
3e1t HALOGENASE

(Chondromyces
crocatus) 		PF04820
(Trp_halogenase) 		5 THR A 320
SER A 322
VAL A 165
GLY A  18
GLY A  19
 None
None
None
FAD  A 600 (-3.4A)
None
 1.45A 3ixlA-3e1tA:
undetectable		 3ixlA-3e1tA:
18.97
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.
3ed0 (3R)-HYDROXYMYRISTOY
L-ACYL CARRIER
PROTEIN DEHYDRATASE

(Helicobacter
pylori) 		PF07977
(FabA) 		5 THR A  84
SER A  85
VAL A 135
GLY A  79
GLY A  78
 None
 1.21A 3ixlA-3ed0A:
undetectable		 3ixlA-3ed0A:
21.03
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.
3fmq METHIONINE
AMINOPEPTIDASE 2

(Encephalitozoon
cuniculi) 		PF00557
(Peptidase_M24) 		5 SER A 238
TYR A 240
SER A 211
GLY A 219
GLY A 220
 None
 1.22A 3ixlA-3fmqA:
undetectable		 3ixlA-3fmqA:
21.62
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.
3g23 LD-CARBOXYPEPTIDASE
A

(Novosphingobium
aromaticivorans) 		PF02016
(Peptidase_S66) 		5 PRO A  10
MET A 126
SER A 104
GLY A  76
GLY A  77
 None
None
None
None
SO4  A 276 ( 4.6A)
 1.33A 3ixlA-3g23A:
undetectable		 3ixlA-3g23A:
23.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ixl ARYLMALONATE
DECARBOXYLASE

(Bordetella
bronchiseptica) 		no annotation 10 PRO A  14
CYH A  74
THR A  75
SER A  76
MET A 104
TYR A 126
VAL A 156
SER A 188
GLY A 189
GLY A 190
 PAC  A5000 (-4.2A)
PAC  A5000 (-3.5A)
PAC  A5000 (-3.8A)
PAC  A5000 (-2.6A)
PAC  A5000 ( 3.8A)
PAC  A5000 (-4.4A)
PAC  A5000 ( 4.1A)
PAC  A5000 (-3.7A)
PAC  A5000 (-3.7A)
PAC  A5000 (-3.4A)
 0.01A 3ixlA-3ixlA:
48.7		 3ixlA-3ixlA:
100.00
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.
3m3i PUTATIVE
UNCHARACTERIZED
PROTEIN

(Leishmania
major) 		PF06172
(Cupin_5) 		5 CYH A  59
THR A  60
SER A  63
GLY A  29
GLY A  28
 None
 1.18A 3ixlA-3m3iA:
undetectable		 3ixlA-3m3iA:
22.48
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.
3n2x UNCHARACTERIZED
PROTEIN YAGE

(Escherichia
coli) 		PF00701
(DHDPS) 		5 SER A  61
VAL A 266
SER A  56
GLY A  55
GLY A  57
 None
None
MCL  A 174 ( 3.8A)
MCL  A 174 ( 3.2A)
MCL  A 174 ( 3.6A)
 1.44A 3ixlA-3n2xA:
undetectable		 3ixlA-3n2xA:
24.59
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.
3ogz UDP-SUGAR
PYROPHOSPHORYLASE

(Leishmania
major) 		PF01704
(UDPGP) 		5 PRO A 356
CYH A 298
SER A 358
GLY A 422
GLY A 421
 None
 1.45A 3ixlA-3ogzA:
undetectable		 3ixlA-3ogzA:
19.58
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.
3ogz UDP-SUGAR
PYROPHOSPHORYLASE

(Leishmania
major) 		PF01704
(UDPGP) 		5 PRO A 356
CYH A 298
THR A 297
GLY A 422
GLY A 421
 None
 1.30A 3ixlA-3ogzA:
undetectable		 3ixlA-3ogzA:
19.58
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.
3owq LIN1025 PROTEIN

(Listeria
innocua) 		PF03816
(LytR_cpsA_psr) 		5 THR A 139
SER A 141
SER A 137
GLY A 135
GLY A 134
 None
 1.32A 3ixlA-3owqA:
undetectable		 3ixlA-3owqA:
21.15
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.
3qw4 UMP SYNTHASE

(Leishmania
donovani) 		PF00156
(Pribosyltran)
PF00215
(OMPdecase) 		5 THR B 179
SER B 137
VAL B 227
GLY B 205
GLY B 202
 None
U5P  B7485 (-2.8A)
U5P  B7485 ( 4.5A)
None
None
 1.22A 3ixlA-3qw4B:
undetectable		 3ixlA-3qw4B:
21.74
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.
3sut BETA-HEXOSAMINIDASE

(Paenibacillus
sp. TS12) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b) 		5 THR A 357
SER A 358
VAL A 349
SER A 355
GLY A 351
 None
 1.32A 3ixlA-3sutA:
undetectable		 3ixlA-3sutA:
17.23
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.
4atq 4-AMINOBUTYRATE
TRANSAMINASE

(Paenarthrobacter
aurescens) 		PF00202
(Aminotran_3) 		5 THR A  76
SER A  77
SER A  71
GLY A  72
GLY A  70
 None
 1.49A 3ixlA-4atqA:
undetectable		 3ixlA-4atqA:
23.93
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.
4j0m SERINE/THREONINE-PRO
TEIN KINASE
BRI1-LIKE 1

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 THR A  92
SER A  45
VAL A  96
GLY A 117
GLY A 118
 None
 1.25A 3ixlA-4j0mA:
undetectable		 3ixlA-4j0mA:
16.69
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.
4kh9 HYPOTHETICAL PROTEIN

(Legionella
pneumophila) 		PF16024
(DUF4785) 		5 THR A 309
SER A 285
TYR A 313
SER A 311
GLY A 373
 None
 1.45A 3ixlA-4kh9A:
undetectable		 3ixlA-4kh9A:
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.
4kpu ELECTRON TRANSFER
FLAVOPROTEIN ALPHA
SUBUNIT

(Acidaminococcus
fermentans) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		5 CYH A 282
TYR A 279
VAL A 249
GLY A 225
GLY A 251
 None
 1.43A 3ixlA-4kpuA:
3.1		 3ixlA-4kpuA:
24.50
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 5 PRO A 288
THR A 337
VAL A 316
SER A 331
GLY A 335
 None
None
None
None
EDO  A 818 ( 4.8A)
 1.47A 3ixlA-4lgnA:
undetectable		 3ixlA-4lgnA:
16.22
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.
4nx9 FLAGELLIN

(Pseudomonas
aeruginosa) 		PF00669
(Flagellin_N)
PF00700
(Flagellin_C) 		5 THR A 275
TYR A 243
VAL A 181
GLY A 178
GLY A 179
 None
 1.46A 3ixlA-4nx9A:
undetectable		 3ixlA-4nx9A:
22.83
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.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		5 SER A 307
TYR A 336
SER A 303
GLY A 302
GLY A 300
 None
None
None
None
FDA  A 501 (-3.2A)
 1.31A 3ixlA-4opuA:
undetectable		 3ixlA-4opuA:
20.70
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.
4tvc DEXTRANSUCRASE

(Leuconostoc
mesenteroides) 		PF02324
(Glyco_hydro_70) 		5 THR A2428
SER A2439
VAL A2423
GLY A2426
GLY A2425
 None
 1.30A 3ixlA-4tvcA:
undetectable		 3ixlA-4tvcA:
12.12
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.
4ydj HEAVY CHAIN OF
ANTIBODY 44-VRC13.01

(Homo sapiens) 		no annotation 5 PRO H  75
TYR H  35
VAL H  24
SER H  31
GLY H  30
 None
 1.47A 3ixlA-4ydjH:
undetectable		 3ixlA-4ydjH:
21.84
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.
5edl PUTATIVE
HMP/THIAMINE
PERMEASE PROTEIN
YKOE

(Bacillus
subtilis) 		PF09819
(ABC_cobalt) 		5 SER A  53
VAL A 102
SER A 123
GLY A 120
GLY A 122
 None
None
None
None
MPG  A 203 ( 4.7A)
 1.50A 3ixlA-5edlA:
undetectable		 3ixlA-5edlA:
26.91
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.
5gxf ACRYLYL-COA
REDUCTASE ACUI

(Ruegeria
pomeroyi) 		PF00107
(ADH_zinc_N) 		5 TYR A 189
VAL A 320
SER A 164
GLY A 161
GLY A 160
 None
 1.34A 3ixlA-5gxfA:
2.3		 3ixlA-5gxfA:
26.15
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.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 THR A 270
SER A 273
VAL A 588
SER A 607
GLY A 570
 None
 1.34A 3ixlA-5i68A:
undetectable		 3ixlA-5i68A:
16.52
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.
5j1d PHOSPHATE BINDING
PROTEIN

(Stenotrophomonas
maltophilia) 		PF12849
(PBP_like_2) 		5 SER A 149
VAL A 224
SER A  10
GLY A 206
GLY A 207
 PO4  A 401 (-2.6A)
None
PO4  A 401 (-2.9A)
None
None
 1.45A 3ixlA-5j1dA:
undetectable		 3ixlA-5j1dA:
23.18
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.
5mjs TUBULIN BETA CHAIN

(Schizosaccharomyces
pombe) 		no annotation 5 PRO A 171
SER A 188
VAL A 169
SER A 145
GLY A 141
 None
None
GDP  A 500 ( 4.9A)
GDP  A 500 ( 4.6A)
GDP  A 500 (-3.1A)
 1.46A 3ixlA-5mjsA:
1.4		 3ixlA-5mjsA:
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 5 THR B 596
TYR B 589
VAL B 643
GLY B 646
GLY B 645
 None
 1.35A 3ixlA-5nd1B:
undetectable		 3ixlA-5nd1B:
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.
5nd4 TUBULIN ALPHA CHAIN

(Bos taurus) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 THR A 150
SER A 151
SER A 147
GLY A 146
GLY A 143
 None
None
None
GTP  A 500 ( 4.4A)
GTP  A 500 (-3.0A)
 1.41A 3ixlA-5nd4A:
2.0		 3ixlA-5nd4A:
21.20
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.
5nd4 TUBULIN ALPHA CHAIN

(Bos taurus) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 THR A 150
SER A 151
SER A 147
GLY A 146
GLY A 144
 None
None
None
GTP  A 500 ( 4.4A)
GTP  A 500 (-2.9A)
 1.08A 3ixlA-5nd4A:
2.0		 3ixlA-5nd4A:
21.20
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.
5oms CYTOCHROME P450

(Amycolatopsis
sp. ATCC 39116) 		no annotation 5 PRO A 398
THR A 257
VAL A 132
GLY A 253
GLY A 251
 None
 0.85A 3ixlA-5omsA:
undetectable		 3ixlA-5omsA:
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.
5xru ADENYLATE KINASE

(Notothenia
coriiceps) 		no annotation 5 SER A 175
MET A 125
VAL A  13
GLY A  16
GLY A  15
 AP5  A 201 ( 4.7A)
None
None
None
None
 1.32A 3ixlA-5xruA:
undetectable		 3ixlA-5xruA:
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 THR A 506
SER A 507
VAL A 620
GLY A 504
GLY A 579
 None
 1.40A 3ixlA-6fikA:
2.9		 3ixlA-6fikA:
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 THR A 506
SER A 507
VAL A 620
SER A 736
GLY A 504
 None
 1.41A 3ixlA-6fikA:
2.9		 3ixlA-6fikA:
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.
9rub RIBULOSE-1,5-BISPHOS
PHATE CARBOXYLASE

(Rhodospirillum
rubrum) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 PRO A  86
THR A  51
SER A  50
TYR A   7
GLY A  66
 None
 1.45A 3ixlA-9rubA:
1.6		 3ixlA-9rubA:
22.22