SIMILAR PATTERNS OF AMINO ACIDS FOR 2QQC_K_AG2K671

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.
1agx GLUTAMINASE-ASPARAGI
NASE

(Acinetobacter
glutaminasificans) 		PF00710
(Asparaginase) 		4 ARG A 308
LEU A  68
ASP A  64
GLY A 217
 None
 0.78A 2qqcH-1agxA:
0.0
2qqcK-1agxA:
0.0		 2qqcH-1agxA:
17.48
2qqcK-1agxA:
13.04
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.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		4 ARG A 534
LEU A 426
ASP A 550
GLY A 593
 None
 0.90A 2qqcH-1b25A:
0.0
2qqcK-1b25A:
0.0		 2qqcH-1b25A:
14.88
2qqcK-1b25A:
11.73
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.
1c7g TYROSINE
PHENOL-LYASE

(Pantoea
agglomerans) 		PF01212
(Beta_elim_lyase) 		4 ILE A 336
GLN A 190
ARG A 330
GLY A 326
 None
 0.91A 2qqcH-1c7gA:
undetectable
2qqcK-1c7gA:
undetectable		 2qqcH-1c7gA:
12.72
2qqcK-1c7gA:
7.24
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.
1c8b SPORE PROTEASE

(Bacillus
megaterium) 		PF03418
(Peptidase_A25) 		5 GLN A 609
LEU A 596
ASP A 594
LEU A 530
GLY A 531
 None
 1.46A 2qqcH-1c8bA:
0.0
2qqcK-1c8bA:
0.0		 2qqcH-1c8bA:
15.14
2qqcK-1c8bA:
11.20
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.
1di4 LYSOZYME C

(Homo sapiens) 		PF00062
(Lys) 		4 MET A  29
LEU A   8
LEU A  15
GLY A  16
 None
 0.85A 2qqcH-1di4A:
undetectable
2qqcK-1di4A:
undetectable		 2qqcH-1di4A:
19.40
2qqcK-1di4A:
17.50
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.
1do5 HUMAN COPPER
CHAPERONE FOR
SUPEROXIDE DISMUTASE
DOMAIN II

(Homo sapiens) 		PF00080
(Sod_Cu) 		4 GLN A 107
ARG A 163
ASP A 185
GLY A 166
 None
 0.86A 2qqcH-1do5A:
0.0
2qqcK-1do5A:
undetectable		 2qqcH-1do5A:
18.83
2qqcK-1do5A:
15.23
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.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT

(Methanopyrus
kandleri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 LEU A 537
ASP A  88
LEU A  89
GLY A  86
 None
 0.91A 2qqcH-1e6vA:
0.4
2qqcK-1e6vA:
undetectable		 2qqcH-1e6vA:
11.21
2qqcK-1e6vA:
7.25
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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		4 ARG 1 248
LEU 1 343
ASP 1 252
LEU 1 188
 None
 0.76A 2qqcH-1gt91:
0.0
2qqcK-1gt91:
0.0		 2qqcH-1gt91:
13.55
2qqcK-1gt91:
9.86
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.
1iip CYCLOPHILIN 40

(Bos taurus) 		PF00160
(Pro_isomerase)
PF13176
(TPR_7) 		4 ILE A 229
MET A 241
ASP A 196
GLY A 199
 None
 0.78A 2qqcH-1iipA:
0.0
2qqcK-1iipA:
undetectable		 2qqcH-1iipA:
14.86
2qqcK-1iipA:
10.75
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.
1iub FUCOSE-SPECIFIC
LECTIN

(Aleuria
aurantia) 		PF07938
(Fungal_lectin) 		4 ILE A  86
LEU A 115
LEU A 102
GLY A 103
 None
 0.83A 2qqcH-1iubA:
undetectable
2qqcK-1iubA:
undetectable		 2qqcH-1iubA:
15.02
2qqcK-1iubA:
11.56
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT
GLYCEROL DEHYDRATASE
GAMMA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU)
PF02287
(Dehydratase_SU) 		4 ILE A 490
LEU G  38
LEU A 472
GLY A 471
 None
 0.87A 2qqcH-1iwpA:
undetectable
2qqcK-1iwpA:
0.0		 2qqcH-1iwpA:
11.47
2qqcK-1iwpA:
8.86
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.
1j8m SIGNAL RECOGNITION
54 KDA PROTEIN

(Acidianus
ambivalens) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 ILE F 183
LEU F 103
LEU F 131
GLY F 130
 None
 0.88A 2qqcH-1j8mF:
undetectable
2qqcK-1j8mF:
0.0		 2qqcH-1j8mF:
15.67
2qqcK-1j8mF:
11.03
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.
1k1d D-HYDANTOINASE

(Geobacillus
stearothermophilus) 		PF01979
(Amidohydro_1) 		4 ILE A 342
GLN A 266
ASP A 344
GLY A  84
 None
 0.91A 2qqcH-1k1dA:
undetectable
2qqcK-1k1dA:
0.0		 2qqcH-1k1dA:
15.27
2qqcK-1k1dA:
9.84
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.
1llc L-LACTATE
DEHYDROGENASE

(Lactobacillus
casei) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		4 MET A 275
GLN A 278
LEU A 271
GLY A 162
 None
 0.84A 2qqcH-1llcA:
undetectable
2qqcK-1llcA:
undetectable		 2qqcH-1llcA:
17.65
2qqcK-1llcA:
12.97
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.
1mro METHYL-COENZYME M
REDUCTASE

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 LEU A 534
ASP A  85
LEU A  86
GLY A  83
 None
 0.82A 2qqcH-1mroA:
undetectable
2qqcK-1mroA:
undetectable		 2qqcH-1mroA:
10.89
2qqcK-1mroA:
7.74
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.
1mt1 PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE BETA
CHAIN

(Methanocaldococcus
jannaschii) 		PF01862
(PvlArgDC) 		4 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 AG2  A7005 ( 4.6A)
AG2  A7005 (-3.9A)
AG2  A7005 (-4.4A)
AG2  A7005 (-4.1A)
 0.15A 2qqcH-1mt1A:
undetectable
2qqcK-1mt1A:
7.1		 2qqcH-1mt1A:
28.26
2qqcK-1mt1A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n2m PYRUVOYL-DEPENDENT
ARGININE
DECARBOXYLASE

(Methanocaldococcus
jannaschii) 		PF01862
(PvlArgDC) 		4 LEU A  31
ASP A  35
LEU A  38
GLY A  44
 MRD  A7006 ( 4.2A)
None
None
None
 0.21A 2qqcH-1n2mA:
18.4
2qqcK-1n2mA:
3.3		 2qqcH-1n2mA:
99.11
2qqcK-1n2mA:
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.
1ni5 PUTATIVE CELL CYCLE
PROTEIN MESJ

(Escherichia
coli) 		PF01171
(ATP_bind_3)
PF09179
(TilS)
PF11734
(TilS_C) 		4 LEU A 155
ASP A  24
LEU A  23
GLY A  22
 None
 0.90A 2qqcH-1ni5A:
undetectable
2qqcK-1ni5A:
undetectable		 2qqcH-1ni5A:
11.29
2qqcK-1ni5A:
7.39
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.
1nnh ASPARAGINYL-TRNA
SYNTHETASE-RELATED
PEPTIDE

(Pyrococcus
furiosus) 		PF00152
(tRNA-synt_2) 		4 ILE A  45
GLN A  81
LEU A 255
LEU A 247
 None
 0.89A 2qqcH-1nnhA:
0.2
2qqcK-1nnhA:
undetectable		 2qqcH-1nnhA:
16.96
2qqcK-1nnhA:
12.85
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.
1o94 TRIMETHYLAMINE
DEHYDROGENASE

(Methylophilus
methylotrophus) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		4 ILE A 607
LEU A 534
LEU A 589
GLY A 590
 None
 0.85A 2qqcH-1o94A:
undetectable
2qqcK-1o94A:
undetectable		 2qqcH-1o94A:
9.59
2qqcK-1o94A:
6.57
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.
1qfw ANTIBODY (ANTI ALPHA
SUBUNIT) (HEAVY
CHAIN)
ANTIBODY (ANTI ALPHA
SUBUNIT) (LIGHT
CHAIN)

(Mus musculus) 		PF07686
(V-set) 		4 GLN L  38
ARG H  98
LEU L  50
ASP H 105
 None
 0.86A 2qqcH-1qfwL:
undetectable
2qqcK-1qfwL:
undetectable		 2qqcH-1qfwL:
20.93
2qqcK-1qfwL:
13.16
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.
1qor QUINONE
OXIDOREDUCTASE

(Escherichia
coli) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ARG A   4
LEU A  57
LEU A  92
GLY A  93
 None
 0.72A 2qqcH-1qorA:
undetectable
2qqcK-1qorA:
undetectable		 2qqcH-1qorA:
18.15
2qqcK-1qorA:
14.34
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.
1r30 BIOTIN SYNTHASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		4 GLN A 313
ARG A 265
LEU A 302
ASP A 301
 None
 0.74A 2qqcH-1r30A:
undetectable
2qqcK-1r30A:
undetectable		 2qqcH-1r30A:
14.01
2qqcK-1r30A:
9.88
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.
1rc2 AQUAPORIN Z

(Escherichia
coli) 		no annotation 4 ILE B 213
GLN B  88
LEU B 146
GLY B 216
 None
 0.91A 2qqcH-1rc2B:
undetectable
2qqcK-1rc2B:
undetectable		 2qqcH-1rc2B:
19.48
2qqcK-1rc2B:
12.83
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.
1rp1 PANCREATIC LIPASE
RELATED PROTEIN 1

(Canis lupus) 		PF00151
(Lipase)
PF01477
(PLAT) 		4 ILE A 172
MET A 221
LEU A 175
GLY A 150
 None
 0.83A 2qqcH-1rp1A:
undetectable
2qqcK-1rp1A:
undetectable		 2qqcH-1rp1A:
12.22
2qqcK-1rp1A:
8.24
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.
1s6i CALCIUM-DEPENDENT
PROTEIN KINASE SK5

(Glycine max) 		PF13499
(EF-hand_7) 		4 ILE A  27
LEU A  75
LEU A  36
GLY A  35
 None
 0.89A 2qqcH-1s6iA:
undetectable
2qqcK-1s6iA:
undetectable		 2qqcH-1s6iA:
20.00
2qqcK-1s6iA:
16.85
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.
1srd COPPER,ZINC
SUPEROXIDE DISMUTASE

(Spinacia
oleracea) 		PF00080
(Sod_Cu) 		4 GLN A  23
ARG A  79
ASP A 101
GLY A  82
 None
 0.91A 2qqcH-1srdA:
undetectable
2qqcK-1srdA:
undetectable		 2qqcH-1srdA:
22.64
2qqcK-1srdA:
16.23
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.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		4 ARG A 437
LEU A 532
ASP A 441
LEU A 377
 None
 0.85A 2qqcH-1t1eA:
undetectable
2qqcK-1t1eA:
undetectable		 2qqcH-1t1eA:
9.89
2qqcK-1t1eA:
7.32
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.
1to5 SUPEROXIDE DISMUTASE

(Schistosoma
mansoni) 		PF00080
(Sod_Cu) 		4 GLN A  21
ARG A  78
ASP A 100
GLY A  81
 None
 0.85A 2qqcH-1to5A:
undetectable
2qqcK-1to5A:
undetectable		 2qqcH-1to5A:
16.67
2qqcK-1to5A:
16.03
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.
1ub3 ALDOLASE PROTEIN

(Thermus
thermophilus) 		PF01791
(DeoC) 		4 ARG A 159
LEU A 169
ASP A 165
GLY A 160
 None
 0.85A 2qqcH-1ub3A:
undetectable
2qqcK-1ub3A:
undetectable		 2qqcH-1ub3A:
19.18
2qqcK-1ub3A:
14.43
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.
1wch PROTEIN TYROSINE
PHOSPHATASE,
NON-RECEPTOR TYPE 13

(Homo sapiens) 		PF00102
(Y_phosphatase) 		4 MET A2395
ASP A2422
LEU A2425
GLY A2426
 None
 0.89A 2qqcH-1wchA:
undetectable
2qqcK-1wchA:
undetectable		 2qqcH-1wchA:
15.24
2qqcK-1wchA:
13.11
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.
1xso COPPER,ZINC
SUPEROXIDE DISMUTASE

(Xenopus laevis) 		PF00080
(Sod_Cu) 		4 GLN A  22
ARG A  77
ASP A  99
GLY A  80
 None
 0.88A 2qqcH-1xsoA:
undetectable
2qqcK-1xsoA:
undetectable		 2qqcH-1xsoA:
20.39
2qqcK-1xsoA:
26.09
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.
1y88 HYPOTHETICAL PROTEIN
AF1548

(Archaeoglobus
fulgidus) 		PF04471
(Mrr_cat) 		4 ARG A  13
ASP A 153
LEU A 148
GLY A 147
 None
 0.90A 2qqcH-1y88A:
undetectable
2qqcK-1y88A:
undetectable		 2qqcH-1y88A:
20.30
2qqcK-1y88A:
17.42
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.
2bih NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 ILE A 241
ARG A 216
ASP A 300
GLY A 243
 None
 0.85A 2qqcH-2bihA:
undetectable
2qqcK-2bihA:
undetectable		 2qqcH-2bihA:
13.19
2qqcK-2bihA:
9.13
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.
2bii NITRATE REDUCTASE
[NADPH]

(Ogataea angusta) 		PF00174
(Oxidored_molyb)
PF03404
(Mo-co_dimer) 		4 ILE A 241
ARG A 216
ASP A 300
GLY A 243
 None
 0.90A 2qqcH-2biiA:
undetectable
2qqcK-2biiA:
undetectable		 2qqcH-2biiA:
13.46
2qqcK-2biiA:
9.19
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.
2cf5 CINNAMYL ALCOHOL
DEHYDROGENASE

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ILE A 186
LEU A 271
LEU A 245
GLY A 184
 None
 0.88A 2qqcH-2cf5A:
undetectable
2qqcK-2cf5A:
undetectable		 2qqcH-2cf5A:
17.67
2qqcK-2cf5A:
10.07
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.
2djz 235AA LONG
HYPOTHETICAL
BIOTIN-[ACETYL-COA-C
ARBOXYLASE] LIGASE

(Pyrococcus
horikoshii) 		PF02237
(BPL_C)
PF03099
(BPL_LplA_LipB) 		4 ARG A 191
ASP A 218
LEU A 217
GLY A 202
 None
 0.81A 2qqcH-2djzA:
0.6
2qqcK-2djzA:
undetectable		 2qqcH-2djzA:
17.57
2qqcK-2djzA:
11.91
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.
2e9w MAST/STEM CELL
GROWTH FACTOR
RECEPTOR

(Homo sapiens) 		PF00047
(ig) 		4 GLN A 256
LEU A 275
LEU A 305
GLY A 286
 None
 0.83A 2qqcH-2e9wA:
undetectable
2qqcK-2e9wA:
undetectable		 2qqcH-2e9wA:
12.39
2qqcK-2e9wA:
7.28
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.
2fkn UROCANATE HYDRATASE

(Bacillus
subtilis) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 ARG A 414
LEU A 441
ASP A 442
GLY A 353
 None
NAD  A5555 (-4.5A)
None
None
 0.67A 2qqcH-2fknA:
undetectable
2qqcK-2fknA:
undetectable		 2qqcH-2fknA:
12.84
2qqcK-2fknA:
7.85
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.
2g42 HYPOTHETICAL PROTEIN
TM_0693

(Thermotoga
maritima) 		no annotation 4 ARG A  29
LEU A  52
ASP A  48
LEU A  45
 None
 0.75A 2qqcH-2g42A:
undetectable
2qqcK-2g42A:
undetectable		 2qqcH-2g42A:
20.51
2qqcK-2g42A:
24.00
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.
2gfp MULTIDRUG RESISTANCE
PROTEIN D

(Escherichia
coli) 		PF07690
(MFS_1) 		4 ILE A  26
ASP A  33
LEU A 238
GLY A 239
 None
 0.88A 2qqcH-2gfpA:
undetectable
2qqcK-2gfpA:
undetectable		 2qqcH-2gfpA:
13.45
2qqcK-2gfpA:
13.45
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.
2h8q RED FLUORESCENT
PROTEIN DRFP583

(Discosoma sp.) 		PF01353
(GFP) 		4 ILE A 180
LEU A 189
LEU A 150
GLY A 159
 None
 0.91A 2qqcH-2h8qA:
undetectable
2qqcK-2h8qA:
undetectable		 2qqcH-2h8qA:
18.47
2qqcK-2h8qA:
16.51
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.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		4 ILE A 278
MET A 271
LEU A 266
GLY A 241
 None
 0.80A 2qqcH-2hruA:
1.2
2qqcK-2hruA:
undetectable		 2qqcH-2hruA:
12.32
2qqcK-2hruA:
9.13
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.
2jjz IONIZED
CALCIUM-BINDING
ADAPTER MOLECULE 2

(Homo sapiens) 		no annotation 4 MET B  88
LEU B  72
LEU B  79
GLY B  80
 None
 0.87A 2qqcH-2jjzB:
undetectable
2qqcK-2jjzB:
undetectable		 2qqcH-2jjzB:
22.06
2qqcK-2jjzB:
21.51
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.
2ong 4S-LIMONENE SYNTHASE

(Mentha spicata) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 ARG A 332
LEU A 282
ASP A 283
LEU A 121
GLY A 120
 None
 1.47A 2qqcH-2ongA:
undetectable
2qqcK-2ongA:
undetectable		 2qqcH-2ongA:
11.15
2qqcK-2ongA:
10.54
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.
2pbg 6-PHOSPHO-BETA-D-GAL
ACTOSIDASE

(Lactococcus
lactis) 		PF00232
(Glyco_hydro_1) 		4 ARG A 132
LEU A 284
ASP A 280
LEU A 276
 None
 0.63A 2qqcH-2pbgA:
undetectable
2qqcK-2pbgA:
undetectable		 2qqcH-2pbgA:
15.97
2qqcK-2pbgA:
8.37
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.
2q2l SUPEROXIDE DISMUTASE

(Potentilla
atrosanguinea) 		PF00080
(Sod_Cu) 		4 GLN A  22
ARG A  78
ASP A 100
GLY A  81
 None
 0.83A 2qqcH-2q2lA:
undetectable
2qqcK-2q2lA:
undetectable		 2qqcH-2q2lA:
20.13
2qqcK-2q2lA:
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.
2q4x SEED MATURATION
PROTEIN PM36 HOMOLOG

(Arabidopsis
thaliana) 		PF03070
(TENA_THI-4) 		4 MET A 133
ARG A 186
ASP A  74
GLY A  70
 None
 0.84A 2qqcH-2q4xA:
undetectable
2qqcK-2q4xA:
undetectable		 2qqcH-2q4xA:
18.47
2qqcK-2q4xA:
13.24
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.
2rdp PUTATIVE
TRANSCRIPTIONAL
REGULATOR MARR

(Geobacillus
stearothermophilus) 		PF01047
(MarR) 		4 ILE A 107
LEU A  73
LEU A  82
GLY A 103
 None
 0.85A 2qqcH-2rdpA:
undetectable
2qqcK-2rdpA:
undetectable		 2qqcH-2rdpA:
20.78
2qqcK-2rdpA:
21.71
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.
2v7g UROCANATE HYDRATASE

(Pseudomonas
putida) 		PF01175
(Urocanase)
PF17391
(Urocanase_N)
PF17392
(Urocanase_C) 		4 ARG A 418
LEU A 445
ASP A 446
GLY A 357
 None
NAD  A3001 (-4.1A)
None
None
 0.59A 2qqcH-2v7gA:
undetectable
2qqcK-2v7gA:
undetectable		 2qqcH-2v7gA:
13.64
2qqcK-2v7gA:
7.80
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.
2vd9 ALANINE RACEMASE

(Bacillus
anthracis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 ILE A 139
MET A 136
LEU A  87
GLY A  88
 None
None
EPC  A1395 ( 3.8A)
None
 0.88A 2qqcH-2vd9A:
undetectable
2qqcK-2vd9A:
undetectable		 2qqcH-2vd9A:
14.58
2qqcK-2vd9A:
11.21
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.
2vef DIHYDROPTEROATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00809
(Pterin_bind) 		5 ILE A  77
ARG A  81
LEU A 108
ASP A 107
GLY A 105
 None
 1.49A 2qqcH-2vefA:
undetectable
2qqcK-2vefA:
undetectable		 2qqcH-2vefA:
17.09
2qqcK-2vefA:
10.51
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.
2yg1 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Heterobasidion
annosum) 		PF00840
(Glyco_hydro_7) 		4 ILE A 222
LEU A 385
LEU A 274
GLY A 275
 None
 0.85A 2qqcH-2yg1A:
undetectable
2qqcK-2yg1A:
undetectable		 2qqcH-2yg1A:
13.46
2qqcK-2yg1A:
12.19
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 ARG A 404
LEU A  40
ASP A  36
LEU A  33
 None
 0.76A 2qqcH-2ynkA:
undetectable
2qqcK-2ynkA:
undetectable		 2qqcH-2ynkA:
14.32
2qqcK-2ynkA:
7.69
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.
2ytw SERINE PROTEASE
HTRA1

(Homo sapiens) 		PF00595
(PDZ) 		4 ILE A 107
ASP A  70
LEU A  66
GLY A  65
 None
 0.78A 2qqcH-2ytwA:
undetectable
2qqcK-2ytwA:
undetectable		 2qqcH-2ytwA:
20.00
2qqcK-2ytwA:
17.09
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.
2zba TRICHOTHECENE
3-O-ACETYLTRANSFERAS
E

(Fusarium
sporotrichioides) 		PF02458
(Transferase) 		5 ILE A  18
GLN A 220
LEU A 217
LEU A 365
GLY A 364
 None
 1.28A 2qqcH-2zbaA:
0.0
2qqcK-2zbaA:
undetectable		 2qqcH-2zbaA:
15.92
2qqcK-2zbaA:
8.94
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.
2zle PROTEASE DO

(Escherichia
coli) 		PF00595
(PDZ)
PF13365
(Trypsin_2) 		4 ILE A 393
ASP A 355
LEU A 351
GLY A 350
 None
 0.85A 2qqcH-2zleA:
undetectable
2qqcK-2zleA:
undetectable		 2qqcH-2zleA:
13.17
2qqcK-2zleA:
9.30
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.
3a1y ACIDIC RIBOSOMAL
PROTEIN P0

(Pyrococcus
horikoshii) 		PF00466
(Ribosomal_L10) 		4 LEU G 192
ASP G 190
LEU G 189
GLY G 188
 None
 0.91A 2qqcH-3a1yG:
undetectable
2qqcK-3a1yG:
undetectable		 2qqcH-3a1yG:
18.51
2qqcK-3a1yG:
11.11
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.
3auo DNA POLYMERASE BETA
FAMILY (X FAMILY)

(Thermus
thermophilus) 		PF14520
(HHH_5)
PF14716
(HHH_8)
PF14791
(DNA_pol_B_thumb) 		5 ILE A 396
LEU A 566
ASP A 433
LEU A 434
GLY A 411
 None
 1.22A 2qqcH-3auoA:
undetectable
2qqcK-3auoA:
undetectable		 2qqcH-3auoA:
12.11
2qqcK-3auoA:
7.81
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.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		4 LEU A  43
ASP A  44
LEU A  53
GLY A  50
 None
 0.87A 2qqcH-3bxoA:
undetectable
2qqcK-3bxoA:
undetectable		 2qqcH-3bxoA:
17.18
2qqcK-3bxoA:
14.47
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.
3dli METHYLTRANSFERASE

(Archaeoglobus
fulgidus) 		PF13489
(Methyltransf_23) 		4 LEU A 287
ASP A 288
LEU A 297
GLY A 294
 None
 0.83A 2qqcH-3dliA:
undetectable
2qqcK-3dliA:
undetectable		 2qqcH-3dliA:
20.70
2qqcK-3dliA:
10.80
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.
3dnp STRESS RESPONSE
PROTEIN YHAX

(Bacillus
subtilis) 		PF08282
(Hydrolase_3) 		4 ILE A  71
LEU A 211
LEU A 204
GLY A 203
 None
 0.89A 2qqcH-3dnpA:
undetectable
2qqcK-3dnpA:
undetectable		 2qqcH-3dnpA:
17.88
2qqcK-3dnpA:
17.78
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.
3dpi NAD+ SYNTHETASE

(Burkholderia
pseudomallei) 		PF02540
(NAD_synthase) 		4 ARG A 226
ASP A 139
LEU A 142
GLY A 143
 None
 0.80A 2qqcH-3dpiA:
undetectable
2qqcK-3dpiA:
undetectable		 2qqcH-3dpiA:
18.57
2qqcK-3dpiA:
10.53
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.
3e8s PUTATIVE SAM
DEPENDENT
METHYLTRANSFERASE

(Pseudomonas
putida) 		PF13489
(Methyltransf_23) 		4 LEU A  56
ASP A  57
LEU A  66
GLY A  63
 None
SAH  A 300 ( 4.7A)
None
None
 0.86A 2qqcH-3e8sA:
undetectable
2qqcK-3e8sA:
undetectable		 2qqcH-3e8sA:
19.69
2qqcK-3e8sA:
11.21
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.
3gtt SUPEROXIDE DISMUTASE
[CU-ZN]

(Mus musculus) 		PF00080
(Sod_Cu) 		4 GLN A  22
ARG A  79
ASP A 101
GLY A  82
 None
 0.78A 2qqcH-3gttA:
undetectable
2qqcK-3gttA:
undetectable		 2qqcH-3gttA:
21.05
2qqcK-3gttA:
17.11
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.
3gx1 LIN1832 PROTEIN

(Listeria
innocua) 		PF03610
(EIIA-man) 		4 ILE A 653
LEU A 566
LEU A 646
GLY A 647
 None
None
SO4  A 709 ( 4.2A)
None
 0.81A 2qqcH-3gx1A:
undetectable
2qqcK-3gx1A:
undetectable		 2qqcH-3gx1A:
20.86
2qqcK-3gx1A:
22.69
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.
3h55 ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Homo sapiens) 		PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		4 ILE A  82
ARG A  85
ASP A 141
GLY A 132
 None
 0.73A 2qqcH-3h55A:
undetectable
2qqcK-3h55A:
undetectable		 2qqcH-3h55A:
14.18
2qqcK-3h55A:
9.42
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.
3hzr TRYPTOPHANYL-TRNA
SYNTHETASE

(Entamoeba
histolytica) 		PF00579
(tRNA-synt_1b) 		5 MET A 202
GLN A 115
LEU A 117
LEU A 123
GLY A 194
 None
 1.23A 2qqcH-3hzrA:
undetectable
2qqcK-3hzrA:
undetectable		 2qqcH-3hzrA:
13.62
2qqcK-3hzrA:
8.68
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.
3iz3 STRUCTURAL PROTEIN
VP1

(Cypovirus 1) 		no annotation 4 ILE B 219
LEU B1061
LEU B 251
GLY B 250
 None
 0.89A 2qqcH-3iz3B:
undetectable
2qqcK-3iz3B:
undetectable		 2qqcH-3iz3B:
7.25
2qqcK-3iz3B:
4.37
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.
3k70 EXODEOXYRIBONUCLEASE
V ALPHA CHAIN

(Escherichia
coli) 		PF13538
(UvrD_C_2)
PF13604
(AAA_30) 		4 ILE D 552
LEU D 565
LEU D 444
GLY D 450
 None
 0.87A 2qqcH-3k70D:
undetectable
2qqcK-3k70D:
undetectable		 2qqcH-3k70D:
10.89
2qqcK-3k70D:
6.61
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.
3kjr DIHYDROFOLATE
REDUCTASE/THYMIDYLAT
E SYNTHASE

(Babesia bovis) 		PF00186
(DHFR_1)
PF00303
(Thymidylat_synt) 		4 GLN A 230
ASP A 264
LEU A 265
GLY A 444
 None
 0.81A 2qqcH-3kjrA:
undetectable
2qqcK-3kjrA:
undetectable		 2qqcH-3kjrA:
13.26
2qqcK-3kjrA:
6.99
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.
3kl4 SIGNAL RECOGNITION
54 KDA PROTEIN

(Sulfolobus
solfataricus) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF02978
(SRP_SPB) 		4 ILE A 181
LEU A 101
LEU A 129
GLY A 128
 None
 0.90A 2qqcH-3kl4A:
undetectable
2qqcK-3kl4A:
undetectable		 2qqcH-3kl4A:
14.49
2qqcK-3kl4A:
8.82
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.
3l9y SUPEROXIDE DISMUTASE
[CU-ZN]

(Bombyx mori) 		PF00080
(Sod_Cu) 		4 GLN A  21
ARG A  78
ASP A 101
GLY A  81
 None
 0.88A 2qqcH-3l9yA:
undetectable
2qqcK-3l9yA:
undetectable		 2qqcH-3l9yA:
18.99
2qqcK-3l9yA:
16.23
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.
3m05 UNCHARACTERIZED
PROTEIN PEPE_1480

(Pediococcus
pentosaceus) 		PF06153
(CdAMP_rec) 		4 ARG A  69
LEU A  18
ASP A  14
GLY A  96
 None
 0.81A 2qqcH-3m05A:
undetectable
2qqcK-3m05A:
undetectable		 2qqcH-3m05A:
19.01
2qqcK-3m05A:
17.09
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.
3mnd SUPEROXIDE DISMUTASE
[CU-ZN]

(Taenia solium) 		PF00080
(Sod_Cu) 		4 GLN A  21
ARG A  76
ASP A  98
GLY A  79
 None
 0.83A 2qqcH-3mndA:
undetectable
2qqcK-3mndA:
undetectable		 2qqcH-3mndA:
17.53
2qqcK-3mndA:
15.13
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.
3onp TRNA/RRNA
METHYLTRANSFERASE
(SPOU)

(Rhodobacter
sphaeroides) 		PF00588
(SpoU_methylase) 		5 ARG A  11
LEU A 129
ASP A 126
LEU A 122
GLY A 116
 None
None
None
None
ACY  A 250 (-4.5A)
 1.39A 2qqcH-3onpA:
undetectable
2qqcK-3onpA:
undetectable		 2qqcH-3onpA:
19.84
2qqcK-3onpA:
10.92
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.
3oo3 OXY PROTEIN

(Actinoplanes
teichomyceticus) 		PF00067
(p450) 		4 GLN A 341
LEU A 337
LEU A 147
GLY A 148
 None
HEM  A 400 ( 4.7A)
None
None
 0.90A 2qqcH-3oo3A:
undetectable
2qqcK-3oo3A:
undetectable		 2qqcH-3oo3A:
15.14
2qqcK-3oo3A:
8.88
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.
3p8t ASNS-LIKE
ASPARAGINYL-TRNA
SYNTHETASE RELATED
PROTEIN

(Pyrococcus
abyssi) 		PF00152
(tRNA-synt_2) 		4 ILE A  45
GLN A  81
LEU A 255
LEU A 247
 None
 0.90A 2qqcH-3p8tA:
0.1
2qqcK-3p8tA:
undetectable		 2qqcH-3p8tA:
17.25
2qqcK-3p8tA:
11.34
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		4 ARG B 333
LEU B 325
ASP B 329
LEU B 332
 None
 0.89A 2qqcH-3pdiB:
undetectable
2qqcK-3pdiB:
undetectable		 2qqcH-3pdiB:
12.75
2qqcK-3pdiB:
8.78
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.
3pg5 UNCHARACTERIZED
PROTEIN

(Corynebacterium
diphtheriae) 		PF13614
(AAA_31) 		4 ARG A 233
LEU A 349
ASP A 177
GLY A 175
 None
 0.91A 2qqcH-3pg5A:
undetectable
2qqcK-3pg5A:
undetectable		 2qqcH-3pg5A:
17.15
2qqcK-3pg5A:
12.74
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.
3ptw MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Clostridium
perfringens) 		PF00698
(Acyl_transf_1) 		5 ILE A  67
GLN A 248
LEU A 245
LEU A 112
GLY A 109
 None
 1.30A 2qqcH-3ptwA:
undetectable
2qqcK-3ptwA:
undetectable		 2qqcH-3ptwA:
16.67
2qqcK-3ptwA:
10.56
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.
3rgu FIMBRIAE-ASSOCIATED
PROTEIN FAP1

(Streptococcus
parasanguinis) 		no annotation 4 MET A 133
LEU A 194
LEU A 201
GLY A 202
 None
 0.90A 2qqcH-3rguA:
undetectable
2qqcK-3rguA:
undetectable		 2qqcH-3rguA:
21.05
2qqcK-3rguA:
19.53
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.
3s4l CAS3 METAL DEPENDENT
PHOSPHOHYDROLASE

(Methanocaldococcus
jannaschii) 		no annotation 4 ILE A 207
LEU A  62
LEU A 212
GLY A 209
 None
 0.86A 2qqcH-3s4lA:
undetectable
2qqcK-3s4lA:
undetectable		 2qqcH-3s4lA:
21.43
2qqcK-3s4lA:
12.61
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.
3sql GLYCOSYL HYDROLASE
FAMILY 3

(Synechococcus
sp. PCC 7002) 		PF00933
(Glyco_hydro_3) 		4 ARG A 265
ASP A 303
LEU A 273
GLY A 272
 None
None
None
SO4  A 543 ( 3.8A)
 0.78A 2qqcH-3sqlA:
undetectable
2qqcK-3sqlA:
undetectable		 2qqcH-3sqlA:
12.90
2qqcK-3sqlA:
7.61
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.
3t8s INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Rattus
norvegicus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		5 GLN A 513
LEU A 443
ASP A 444
LEU A  32
GLY A  31
 None
 1.43A 2qqcH-3t8sA:
undetectable
2qqcK-3t8sA:
undetectable		 2qqcH-3t8sA:
11.76
2qqcK-3t8sA:
7.42
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.
3uuf LIP1, SECRETORY
LIPASE (FAMILY 3)

(Malassezia
globosa) 		PF01764
(Lipase_3) 		4 GLN A 139
LEU A 179
ASP A 183
LEU A 186
 None
 0.89A 2qqcH-3uufA:
undetectable
2qqcK-3uufA:
undetectable		 2qqcH-3uufA:
18.37
2qqcK-3uufA:
12.74
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.
3uxf FIMBRIAL SUBUNIT
TYPE 1

(Actinomyces
oris) 		no annotation 4 ILE A 208
LEU A 278
LEU A 323
GLY A 322
 None
 0.86A 2qqcH-3uxfA:
undetectable
2qqcK-3uxfA:
undetectable		 2qqcH-3uxfA:
12.86
2qqcK-3uxfA:
8.23
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.
3vmn DEXTRANASE

(Streptococcus
mutans) 		PF13199
(Glyco_hydro_66) 		4 ILE A 531
GLN A 580
LEU A 541
GLY A 491
 None
 0.84A 2qqcH-3vmnA:
undetectable
2qqcK-3vmnA:
undetectable		 2qqcH-3vmnA:
10.08
2qqcK-3vmnA:
7.23
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.
3vr5 V-TYPE SODIUM ATPASE
SUBUNIT B

(Enterococcus
hirae) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		4 ILE D 103
LEU D 235
LEU D  79
GLY D  80
 None
 0.91A 2qqcH-3vr5D:
undetectable
2qqcK-3vr5D:
undetectable		 2qqcH-3vr5D:
13.25
2qqcK-3vr5D:
7.51
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.
3vxi DYP

(Bjerkandera
adusta) 		PF04261
(Dyp_perox) 		4 GLN A  12
LEU A 436
LEU A  76
GLY A  75
 None
 0.76A 2qqcH-3vxiA:
undetectable
2qqcK-3vxiA:
undetectable		 2qqcH-3vxiA:
13.70
2qqcK-3vxiA:
8.05
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.
3wq8 BETA-GLUCOSIDASE

(Pyrococcus
furiosus) 		PF00232
(Glyco_hydro_1) 		4 ILE A 262
LEU A 360
LEU A 299
GLY A 260
 None
 0.89A 2qqcH-3wq8A:
undetectable
2qqcK-3wq8A:
undetectable		 2qqcH-3wq8A:
14.44
2qqcK-3wq8A:
8.71
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.
4a29 ENGINEERED
RETRO-ALDOL ENZYME
RA95.0

(synthetic
construct) 		PF00218
(IGPS) 		4 ARG A  28
LEU A  33
ASP A 128
GLY A 126
 None
 0.61A 2qqcH-4a29A:
undetectable
2qqcK-4a29A:
undetectable		 2qqcH-4a29A:
19.67
2qqcK-4a29A:
14.59
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.
4cd8 ENDO-BETA-1,4-MANNAN
ASE

(Alicyclobacillus
acidocaldarius) 		no annotation 4 ARG A 170
ASP A 196
LEU A 176
GLY A 175
 None
 0.80A 2qqcH-4cd8A:
undetectable
2qqcK-4cd8A:
undetectable		 2qqcH-4cd8A:
17.28
2qqcK-4cd8A:
10.10
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.
4hfs UNCHARACTERIZED
PROTEIN YNCM

(Bacillus
subtilis) 		PF15493
(YrpD) 		5 ILE A 207
ARG A 204
ASP A 233
LEU A  51
GLY A  54
 None
 1.31A 2qqcH-4hfsA:
undetectable
2qqcK-4hfsA:
undetectable		 2qqcH-4hfsA:
17.84
2qqcK-4hfsA:
13.88
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.
4ia4 AQUAPORIN

(Spinacia
oleracea) 		PF00230
(MIP) 		4 ILE A 232
GLN A 242
LEU A  52
GLY A 133
 None
 0.82A 2qqcH-4ia4A:
undetectable
2qqcK-4ia4A:
undetectable		 2qqcH-4ia4A:
18.52
2qqcK-4ia4A:
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.
4irn PROLYL-ACP
DEHYDROGENASE

([Oscillatoria]
sp. PCC 6506) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ARG A 356
LEU A  28
ASP A  32
GLY A 205
 None
 0.91A 2qqcH-4irnA:
undetectable
2qqcK-4irnA:
undetectable		 2qqcH-4irnA:
18.21
2qqcK-4irnA:
9.18
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.
4is7 CASKIN-2

(Homo sapiens) 		PF00536
(SAM_1) 		4 ARG A 156
ASP A 125
LEU A 122
GLY A 121
 None
 0.85A 2qqcH-4is7A:
undetectable
2qqcK-4is7A:
undetectable		 2qqcH-4is7A:
22.47
2qqcK-4is7A:
18.18
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.
4jb6 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Pseudomonas
aeruginosa) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		4 ILE A  38
LEU A  73
ASP A 234
GLY A  52
 None
 0.86A 2qqcH-4jb6A:
0.1
2qqcK-4jb6A:
undetectable		 2qqcH-4jb6A:
13.99
2qqcK-4jb6A:
9.62
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.
4k9s GDSL-LIKE
LIPASE/ACYLHYDROLASE
FAMILY PROTEIN

(Neisseria
meningitidis) 		PF00657
(Lipase_GDSL) 		4 GLN A 327
LEU A 323
LEU A 309
GLY A 367
 None
 0.90A 2qqcH-4k9sA:
undetectable
2qqcK-4k9sA:
undetectable		 2qqcH-4k9sA:
15.93
2qqcK-4k9sA:
8.71