SIMILAR PATTERNS OF AMINO ACIDS FOR 3Q1E_D_T44D328_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.
1cg4 PROTEIN
(ADENYLOSUCCINATE
SYNTHETASE)

(Escherichia
coli) 		PF00709
(Adenylsucc_synt) 		5 LEU A 197
THR A 190
LEU A 107
HIS A  37
LEU A 105
 None
 1.27A 3q1eB-1cg4A:
0.0
3q1eD-1cg4A:
0.0		 3q1eB-1cg4A:
13.98
3q1eD-1cg4A:
13.98
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.
1e8c UDP-N-ACETYLMURAMOYL
ALANYL-D-GLUTAMATE--
2,6-DIAMINOPIMELATE
LIGASE

(Escherichia
coli) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 LEU A 329
LEU A 325
LEU A 312
LEU A 273
SER A 291
 None
 1.44A 3q1eB-1e8cA:
0.0
3q1eD-1e8cA:
0.0		 3q1eB-1e8cA:
12.05
3q1eD-1e8cA:
12.05
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.
1jfr LIPASE

(Streptomyces
exfoliatus) 		PF03403
(PAF-AH_p_II) 		5 PRO A 152
THR A 169
LEU A 165
LEU A 193
SER A 192
 None
 1.50A 3q1eB-1jfrA:
0.0
3q1eD-1jfrA:
0.0		 3q1eB-1jfrA:
19.62
3q1eD-1jfrA:
19.62
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.
1ni5 PUTATIVE CELL CYCLE
PROTEIN MESJ

(Escherichia
coli) 		PF01171
(ATP_bind_3)
PF09179
(TilS)
PF11734
(TilS_C) 		5 LEU A   9
PRO A 154
THR A 113
LEU A 151
LEU A 111
 None
 1.23A 3q1eB-1ni5A:
0.0
3q1eD-1ni5A:
0.0		 3q1eB-1ni5A:
13.19
3q1eD-1ni5A:
13.19
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.
1oyj GLUTATHIONE
S-TRANSFERASE

(Oryza sativa) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 LEU A   9
PRO A  57
LEU A  59
HIS A 210
LEU A  73
 None
GSH  A 799 (-4.2A)
None
None
None
 1.42A 3q1eB-1oyjA:
0.0
3q1eD-1oyjA:
0.0		 3q1eB-1oyjA:
18.45
3q1eD-1oyjA:
18.45
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.
1ser PROTEIN (SERYL-TRNA
SYNTHETASE
(E.C.6.1.1.11))

(Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF02403
(Seryl_tRNA_N) 		5 LEU A 172
LEU A 382
THR A 346
HIS A 395
LEU A 306
 None
 1.36A 3q1eB-1serA:
0.0
3q1eD-1serA:
0.0		 3q1eB-1serA:
13.29
3q1eD-1serA:
13.29
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.
1wwk PHOSPHOGLYCERATE
DEHYDROGENASE

(Pyrococcus
horikoshii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 253
THR A 276
LEU A 103
HIS A 200
LEU A 107
 None
 1.18A 3q1eB-1wwkA:
undetectable
3q1eD-1wwkA:
0.0		 3q1eB-1wwkA:
15.59
3q1eD-1wwkA:
15.59
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.
1xhb POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 1

(Mus musculus) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		5 LEU A 208
THR A 118
LEU A 223
LEU A 219
SER A 143
 None
 1.35A 3q1eB-1xhbA:
0.0
3q1eD-1xhbA:
0.0		 3q1eB-1xhbA:
14.22
3q1eD-1xhbA:
14.22
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.
1yx1 HYPOTHETICAL PROTEIN
PA2260

(Pseudomonas
aeruginosa) 		PF01261
(AP_endonuc_2) 		5 HIS A 122
LEU A  88
LEU A  99
LEU A  80
LEU A  73
 None
 1.39A 3q1eB-1yx1A:
0.0
3q1eD-1yx1A:
0.0		 3q1eB-1yx1A:
19.39
3q1eD-1yx1A:
19.39
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.
2bi0 HYPOTHETICAL PROTEIN
RV0216

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A  67
LEU A  50
THR A 187
LEU A 272
LEU A 335
 None
 1.34A 3q1eB-2bi0A:
undetectable
3q1eD-2bi0A:
undetectable		 3q1eB-2bi0A:
15.02
3q1eD-2bi0A:
15.02
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.
2dy3 ALANINE RACEMASE

(Corynebacterium
glutamicum) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 HIS A  15
LEU A  20
LEU A 222
LEU A 217
SER A 199
 None
None
None
PLP  A 401 (-4.2A)
PLP  A 401 (-2.7A)
 1.40A 3q1eB-2dy3A:
undetectable
3q1eD-2dy3A:
undetectable		 3q1eB-2dy3A:
15.11
3q1eD-2dy3A:
15.11
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.
2l01 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF10771
(DUF2582) 		5 LEU A  68
LEU A  19
THR A  57
LEU A  50
LEU A  46
 None
 1.32A 3q1eB-2l01A:
undetectable
3q1eD-2l01A:
undetectable		 3q1eB-2l01A:
18.03
3q1eD-2l01A:
18.03
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.
2l3y INTERLEUKIN-6

(Mus musculus) 		PF00489
(IL6) 		5 HIS A  36
LEU A  38
THR A 125
LEU A 103
LEU A 176
 None
 1.43A 3q1eB-2l3yA:
undetectable
3q1eD-2l3yA:
undetectable		 3q1eB-2l3yA:
23.23
3q1eD-2l3yA:
23.23
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.
2p7j PUTATIVE SENSORY
BOX/GGDEF FAMILY
PROTEIN

(Vibrio
parahaemolyticus) 		PF02743
(dCache_1) 		5 LEU A  22
LEU A  19
THR A  14
LEU A 266
LEU A 246
 None
 1.17A 3q1eB-2p7jA:
undetectable
3q1eD-2p7jA:
undetectable		 3q1eB-2p7jA:
18.28
3q1eD-2p7jA:
18.28
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.
2p90 HYPOTHETICAL PROTEIN
CGL1923

(Corynebacterium
glutamicum) 		PF09754
(PAC2) 		5 LEU A  93
LEU A 107
THR A 135
LEU A 187
LEU A 183
 None
 1.29A 3q1eB-2p90A:
undetectable
3q1eD-2p90A:
undetectable		 3q1eB-2p90A:
17.04
3q1eD-2p90A:
17.04
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.
2qt6 LACCASE

(Lentinus
tigrinus) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		5 HIS A 401
LEU A 398
LEU A 450
LEU A 323
LEU A 325
 CL  A3720 (-4.3A)
None
None
None
None
 1.25A 3q1eB-2qt6A:
undetectable
3q1eD-2qt6A:
undetectable		 3q1eB-2qt6A:
16.06
3q1eD-2qt6A:
16.06
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.
2wuq BETA-LACTAMASE
REGULATORY PROTEIN
BLAB

(Streptomyces
cacaoi) 		PF13354
(Beta-lactamase2) 		5 LEU A 230
LEU A 227
THR A  57
LEU A 117
LEU A  53
 None
 1.25A 3q1eB-2wuqA:
undetectable
3q1eD-2wuqA:
undetectable		 3q1eB-2wuqA:
20.16
3q1eD-2wuqA:
20.16
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.
2zu0 PROTEIN SUFD

(Escherichia
coli) 		PF01458
(UPF0051) 		5 HIS A  15
LEU A  37
LEU A  11
LEU A 133
LEU A 129
 None
 1.37A 3q1eB-2zu0A:
undetectable
3q1eD-2zu0A:
undetectable		 3q1eB-2zu0A:
19.19
3q1eD-2zu0A:
19.19
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.
3e4f AMINOGLYCOSIDE
N3-ACETYLTRANSFERASE

(Bacillus
anthracis) 		PF02522
(Antibiotic_NAT) 		5 PRO A  68
THR A 180
LEU A 159
LEU A 153
SER A 152
 None
 1.42A 3q1eB-3e4fA:
undetectable
3q1eD-3e4fA:
undetectable		 3q1eB-3e4fA:
18.55
3q1eD-3e4fA:
18.55
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.
3err FUSION PROTEIN OF
MICROTUBULE BINDING
DOMAIN FROM MOUSE
CYTOPLASMIC DYNEIN
AND SERYL-TRNA
SYNTHETASE FROM
THERMUS THERMOPHILUS

(Mus musculus;
Thermus
thermophilus) 		PF00587
(tRNA-synt_2b)
PF12777
(MT) 		5 LEU A 172
LEU A 382
THR A 346
HIS A 395
LEU A 306
 None
 1.34A 3q1eB-3errA:
undetectable
3q1eD-3errA:
undetectable		 3q1eB-3errA:
10.94
3q1eD-3errA:
10.94
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.
3gg2 SUGAR DEHYDROGENASE,
UDP-GLUCOSE/GDP-MANN
OSE DEHYDROGENASE
FAMILY

(Porphyromonas
gingivalis) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 LEU A 380
PRO A 415
LEU A 419
HIS A 467
LEU A 402
 None
 1.44A 3q1eB-3gg2A:
undetectable
3q1eD-3gg2A:
undetectable		 3q1eB-3gg2A:
14.83
3q1eD-3gg2A:
14.83
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.
3h1n PROBABLE GLUTATHIONE
S-TRANSFERASE

(Bordetella
bronchiseptica) 		PF14497
(GST_C_3) 		5 LEU A   5
PRO A  56
LEU A  58
THR A  68
LEU A  72
 None
 1.15A 3q1eB-3h1nA:
undetectable
3q1eD-3h1nA:
undetectable		 3q1eB-3h1nA:
16.67
3q1eD-3h1nA:
16.67
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.
3ioy SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE SDR

(Novosphingobium
aromaticivorans) 		PF00106
(adh_short) 		5 HIS A 253
LEU A 252
LEU A 173
LEU A 177
SER A 180
 None
 1.35A 3q1eB-3ioyA:
undetectable
3q1eD-3ioyA:
undetectable		 3q1eB-3ioyA:
16.50
3q1eD-3ioyA:
16.50
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.
3k7t 6-HYDROXY-L-NICOTINE
OXIDASE

(Paenarthrobacter
nicotinovorans) 		PF01593
(Amino_oxidase) 		5 HIS A 383
LEU A 131
PRO A 374
LEU A 178
LEU A 183
 None
 1.25A 3q1eB-3k7tA:
undetectable
3q1eD-3k7tA:
undetectable		 3q1eB-3k7tA:
13.35
3q1eD-3k7tA:
13.35
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.
3ktn CARBOHYDRATE KINASE,
PFKB FAMILY

(Enterococcus
faecalis) 		PF00294
(PfkB) 		5 HIS A 132
LEU A  38
LEU A  42
LEU A  -1
SER A 289
 None
 1.49A 3q1eB-3ktnA:
undetectable
3q1eD-3ktnA:
undetectable		 3q1eB-3ktnA:
16.42
3q1eD-3ktnA:
16.42
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.
3ntu DNA REPAIR AND
RECOMBINATION
PROTEIN RADA

(Methanococcus
voltae) 		PF08423
(Rad51)
PF14520
(HHH_5) 		5 HIS A 305
LEU A 306
LEU A 300
THR A 101
LEU A  95
 None
 1.45A 3q1eB-3ntuA:
undetectable
3q1eD-3ntuA:
undetectable		 3q1eB-3ntuA:
17.35
3q1eD-3ntuA:
17.35
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.
3o6n APL1

(Anopheles
gambiae) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 LEU A 422
PRO A 400
THR A 374
LEU A 388
LEU A 393
 None
 1.35A 3q1eB-3o6nA:
undetectable
3q1eD-3o6nA:
undetectable		 3q1eB-3o6nA:
14.07
3q1eD-3o6nA:
14.07
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.
3oja ANOPHELES
PLASMODIUM-RESPONSIV
E LEUCINE-RICH
REPEAT PROTEIN 1

(Anopheles
gambiae) 		PF13855
(LRR_8) 		5 LEU B 422
PRO B 400
THR B 374
LEU B 388
LEU B 393
 None
 1.30A 3q1eB-3ojaB:
undetectable
3q1eD-3ojaB:
undetectable		 3q1eB-3ojaB:
11.51
3q1eD-3ojaB:
11.51
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.
3q9t CHOLINE
DEHYDROGENASE AND
RELATED
FLAVOPROTEINS

(Aspergillus
oryzae) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 474
LEU A 473
THR A 175
LEU A 356
LEU A 197
 None
 1.36A 3q1eB-3q9tA:
undetectable
3q1eD-3q9tA:
undetectable		 3q1eB-3q9tA:
12.84
3q1eD-3q9tA:
12.84
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.
3qbw ANHYDRO-N-ACETYLMURA
MIC ACID KINASE

(Pseudomonas
aeruginosa) 		PF03702
(AnmK) 		5 LEU A 189
LEU A 265
LEU A 223
HIS A 249
LEU A 219
 None
 1.25A 3q1eB-3qbwA:
undetectable
3q1eD-3qbwA:
undetectable		 3q1eB-3qbwA:
15.34
3q1eD-3qbwA:
15.34
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.
3rg1 CD180 MOLECULE

(Bos taurus) 		PF00560
(LRR_1)
PF13855
(LRR_8) 		5 LEU A 468
PRO A 440
LEU A 465
LEU A 432
LEU A 457
 None
 1.48A 3q1eB-3rg1A:
undetectable
3q1eD-3rg1A:
undetectable		 3q1eB-3rg1A:
12.90
3q1eD-3rg1A:
12.90
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.
3sig POLY(ADP-RIBOSE)
GLYCOHYDROLASE

(Thermomonospora
curvata) 		PF10021
(DUF2263) 		5 HIS A 148
LEU A  45
THR A 176
LEU A 127
SER A 126
 None
 1.13A 3q1eB-3sigA:
undetectable
3q1eD-3sigA:
undetectable		 3q1eB-3sigA:
17.75
3q1eD-3sigA:
17.75
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.
3wj7 PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF01370
(Epimerase) 		5 LEU A  30
LEU A  37
THR A  16
LEU A  78
LEU A  14
 None
 1.35A 3q1eB-3wj7A:
undetectable
3q1eD-3wj7A:
undetectable		 3q1eB-3wj7A:
17.54
3q1eD-3wj7A:
17.54
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.
4d4g APNAA1

(Planktothrix
agardhii) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C) 		5 LEU A 474
PRO A 484
LEU A 478
LEU A 423
SER A 156
 None
 1.38A 3q1eB-4d4gA:
undetectable
3q1eD-4d4gA:
undetectable		 3q1eB-4d4gA:
12.04
3q1eD-4d4gA:
12.04
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.
4eog PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF09455
(Cas_DxTHG) 		5 LEU A  37
LEU A   6
THR A   9
LEU A 165
LEU A 163
 None
 1.35A 3q1eB-4eogA:
undetectable
3q1eD-4eogA:
undetectable		 3q1eB-4eogA:
13.07
3q1eD-4eogA:
13.07
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.
4gf0 GLUTATHIONE
S-TRANSFERASE

(Sulfitobacter
sp. NAS-14.1) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		5 LEU A   5
PRO A  54
LEU A  56
THR A  67
LEU A  71
 None
GSH  A 302 (-4.4A)
None
GSH  A 302 (-4.0A)
None
 1.24A 3q1eB-4gf0A:
undetectable
3q1eD-4gf0A:
undetectable		 3q1eB-4gf0A:
20.40
3q1eD-4gf0A:
20.40
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.
4gsn GLUTATHIONE
S-TRANSFERASE E2

(Anopheles
gambiae) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 LEU A   9
PRO A  13
LEU A  11
HIS A  41
LEU A 119
 None
GSH  A 301 ( 4.9A)
None
GSH  A 301 (-4.2A)
None
 1.45A 3q1eB-4gsnA:
undetectable
3q1eD-4gsnA:
undetectable		 3q1eB-4gsnA:
25.00
3q1eD-4gsnA:
25.00
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.
4gtn ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Acinetobacter
sp. ADP1) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 LEU A 301
THR A 115
LEU A 146
LEU A 145
SER A 293
 None
 1.36A 3q1eB-4gtnA:
undetectable
3q1eD-4gtnA:
undetectable		 3q1eB-4gtnA:
16.72
3q1eD-4gtnA:
16.72
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.
4gzv HYPOTHETICAL PROTEIN

(Bacteroides
ovatus) 		PF14869
(DUF4488) 		5 HIS A 104
LEU A 105
LEU A 108
LEU A 127
LEU A 115
 UNL  A 200 ( 3.9A)
UNL  A 200 ( 4.7A)
None
None
None
 1.04A 3q1eB-4gzvA:
undetectable
3q1eD-4gzvA:
undetectable		 3q1eB-4gzvA:
20.44
3q1eD-4gzvA:
20.44
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.
4im9 DNA PRIMASE

(Vibrio cholerae) 		PF08278
(DnaG_DnaB_bind) 		5 HIS A  39
LEU A  40
LEU A  45
LEU A 142
LEU A 106
 None
 1.37A 3q1eB-4im9A:
undetectable
3q1eD-4im9A:
undetectable		 3q1eB-4im9A:
17.48
3q1eD-4im9A:
17.48
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.
4kf9 GLUTATHIONE
S-TRANSFERASE
PROTEIN

(Ralstonia
solanacearum) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 HIS A  10
LEU A   8
PRO A  56
LEU A  58
THR A  68
 None
None
None
None
GSH  A 405 (-3.0A)
 1.05A 3q1eB-4kf9A:
undetectable
3q1eD-4kf9A:
undetectable		 3q1eB-4kf9A:
15.48
3q1eD-4kf9A:
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.
4kf9 GLUTATHIONE
S-TRANSFERASE
PROTEIN

(Ralstonia
solanacearum) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 HIS A  10
LEU A   8
PRO A  56
THR A  68
HIS A 224
 None
None
None
GSH  A 405 (-3.0A)
ZN  A 401 ( 3.2A)
 0.91A 3q1eB-4kf9A:
undetectable
3q1eD-4kf9A:
undetectable		 3q1eB-4kf9A:
15.48
3q1eD-4kf9A:
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.
4ntd THIOREDOXIN
REDUCTASE

(Streptomyces
clavuligerus) 		PF07992
(Pyr_redox_2) 		5 HIS A 165
LEU A 169
LEU A 153
LEU A 137
HIS A 144
 CL  A 404 ( 3.9A)
None
None
None
GOL  A 403 ( 4.2A)
 1.41A 3q1eB-4ntdA:
undetectable
3q1eD-4ntdA:
undetectable		 3q1eB-4ntdA:
18.42
3q1eD-4ntdA:
18.42
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.
4rfq HISTIDINE PROTEIN
METHYLTRANSFERASE 1
HOMOLOG

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 HIS A 126
LEU A 121
THR A 172
LEU A 201
SER A 198
 None
None
SAM  A 401 (-3.7A)
None
None
 1.35A 3q1eB-4rfqA:
undetectable
3q1eD-4rfqA:
undetectable		 3q1eB-4rfqA:
19.23
3q1eD-4rfqA:
19.23
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.
4xmm NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		no annotation 5 HIS E 164
PRO E 163
LEU E 184
LEU E 186
SER E 174
 None
 1.34A 3q1eB-4xmmE:
undetectable
3q1eD-4xmmE:
undetectable		 3q1eB-4xmmE:
8.33
3q1eD-4xmmE:
8.33
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.
5e9u GLYCOSYLTRANSFERASE
GTF1

(Streptococcus
gordonii) 		PF00534
(Glycos_transf_1) 		5 LEU A 420
LEU A 410
THR A 325
LEU A 338
SER A 401
 None
 1.48A 3q1eB-5e9uA:
undetectable
3q1eD-5e9uA:
undetectable		 3q1eB-5e9uA:
12.23
3q1eD-5e9uA:
12.23
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.
5eso 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Mycobacterium
tuberculosis) 		PF02776
(TPP_enzyme_N) 		5 HIS A 237
LEU A 298
LEU A 218
THR A 320
LEU A 222
 None
 1.36A 3q1eB-5esoA:
undetectable
3q1eD-5esoA:
undetectable		 3q1eB-5esoA:
12.10
3q1eD-5esoA:
12.10
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.
5for PHOSPHOINOSITIDE
3-KINASE ADAPTER
PROTEIN 1

(Homo sapiens) 		no annotation 5 LEU A  82
LEU A  85
LEU A  68
HIS A  77
LEU A  72
 MLY  A  78 ( 4.6A)
None
None
None
None
 1.38A 3q1eB-5forA:
undetectable
3q1eD-5forA:
undetectable		 3q1eB-5forA:
21.05
3q1eD-5forA:
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.
5j5u RAGB/SUSD DOMAIN
PROTEIN

(Flavobacterium
johnsoniae) 		PF12771
(SusD-like_2) 		5 HIS A 248
LEU A 246
PRO A 352
LEU A 354
LEU A 393
 None
 1.18A 3q1eB-5j5uA:
undetectable
3q1eD-5j5uA:
undetectable		 3q1eB-5j5uA:
14.63
3q1eD-5j5uA:
14.63
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.
5nr1 FTSZ-BINDING PROTEIN
FZLA

(Caulobacter
vibrioides) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 HIS A   9
LEU A   7
PRO A  54
LEU A  56
LEU A  74
 None
 1.14A 3q1eB-5nr1A:
undetectable
3q1eD-5nr1A:
undetectable		 3q1eB-5nr1A:
18.42
3q1eD-5nr1A:
18.42
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.
5nr1 FTSZ-BINDING PROTEIN
FZLA

(Caulobacter
vibrioides) 		PF00043
(GST_C)
PF13417
(GST_N_3) 		5 HIS A   9
LEU A   7
PRO A  54
LEU A  56
THR A  70
 None
 0.90A 3q1eB-5nr1A:
undetectable
3q1eD-5nr1A:
undetectable		 3q1eB-5nr1A:
18.42
3q1eD-5nr1A:
18.42
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.
5t5w INTERFERON LAMBDA-3

(Homo sapiens) 		PF15177
(IL28A) 		5 LEU C  12
LEU C 149
LEU C 100
HIS C  95
LEU C  65
 None
 1.36A 3q1eB-5t5wC:
undetectable
3q1eD-5t5wC:
undetectable		 3q1eB-5t5wC:
17.18
3q1eD-5t5wC:
17.18
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.
5u4s PUTATIVE SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 HIS A 231
LEU A 223
LEU A 138
LEU A 133
SER A 131
 None
PO4  A 302 ( 4.3A)
None
BEZ  A 301 (-4.2A)
BEZ  A 301 (-2.6A)
 1.46A 3q1eB-5u4sA:
undetectable
3q1eD-5u4sA:
undetectable		 3q1eB-5u4sA:
17.86
3q1eD-5u4sA:
17.86
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 LEU A 607
LEU A 641
LEU A 585
LEU A 507
SER A 510
 None
 1.50A 3q1eB-5ux5A:
undetectable
3q1eD-5ux5A:
undetectable		 3q1eB-5ux5A:
7.78
3q1eD-5ux5A:
7.78
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.
5w94 MAU2 CHROMATID
COHESION FACTOR
HOMOLOG

(Saccharomyces
cerevisiae) 		PF10345
(Cohesin_load) 		5 LEU A 544
LEU A 548
THR A 485
LEU A 435
LEU A 489
 None
 1.44A 3q1eB-5w94A:
undetectable
3q1eD-5w94A:
undetectable		 3q1eB-5w94A:
10.29
3q1eD-5w94A:
10.29
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.
5z03 MUREIN TETRAPEPTIDE
CARBOXYPEPTIDASE

(Escherichia
coli) 		no annotation 5 LEU A  71
PRO A 127
THR A 276
HIS A  31
LEU A 150
 None
 1.29A 3q1eB-5z03A:
undetectable
3q1eD-5z03A:
undetectable		 3q1eB-5z03A:
20.54
3q1eD-5z03A:
20.54
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.
6cyz HOMOSERINE KINASE

(Mycobacteroides
abscessus) 		no annotation 5 LEU A  29
PRO A  24
LEU A  22
THR A 232
LEU A 228
 None
 1.46A 3q1eB-6cyzA:
undetectable
3q1eD-6cyzA:
undetectable		 3q1eB-6cyzA:
25.00
3q1eD-6cyzA:
25.00