SIMILAR PATTERNS OF AMINO ACIDS FOR 2QQD_B_AG2B671_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.
1cpt CYTOCHROME P450-TERP

(Pseudomonas sp.) 		PF00067
(p450) 		4 GLU A 386
LEU A 382
LEU A 170
GLY A 171
 None
HEM  A 430 (-4.6A)
None
None
 0.88A 2qqdB-1cptA:
undetectable
2qqdC-1cptA:
undetectable		 2qqdB-1cptA:
14.18
2qqdC-1cptA:
18.37
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		4 GLU A  34
LEU A  31
ASP A  29
GLY A 299
 None
 0.85A 2qqdB-1d4eA:
0.0
2qqdC-1d4eA:
0.0		 2qqdB-1d4eA:
13.81
2qqdC-1d4eA:
17.81
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.
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
 0.92A 2qqdB-1e6vA:
0.2
2qqdC-1e6vA:
0.1		 2qqdB-1e6vA:
11.53
2qqdC-1e6vA:
14.95
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.
1gk2 HISTIDINE
AMMONIA-LYASE

(Pseudomonas
putida) 		PF00221
(Lyase_aromatic) 		4 ILE A 345
LEU A 506
LEU A 208
GLY A 207
 None
 0.93A 2qqdB-1gk2A:
0.0
2qqdC-1gk2A:
0.0		 2qqdB-1gk2A:
12.15
2qqdC-1gk2A:
17.31
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
 0.71A 2qqdB-1gt91:
0.0
2qqdC-1gt91:
0.0		 2qqdB-1gt91:
13.55
2qqdC-1gt91:
19.28
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.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		4 ILE A  52
MET A  95
LEU A  35
LEU A  45
 None
NAG  A 461 (-3.7A)
None
None
 0.86A 2qqdB-1ituA:
0.0
2qqdC-1ituA:
0.0		 2qqdB-1ituA:
14.36
2qqdC-1ituA:
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.
1iub FUCOSE-SPECIFIC
LECTIN

(Aleuria
aurantia) 		PF07938
(Fungal_lectin) 		4 ILE A  86
LEU A 115
LEU A 102
GLY A 103
 None
 0.82A 2qqdB-1iubA:
0.0
2qqdC-1iubA:
0.0		 2qqdB-1iubA:
15.02
2qqdC-1iubA:
19.31
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
 0.89A 2qqdB-1iwpA:
0.0
2qqdC-1iwpA:
undetectable		 2qqdB-1iwpA:
11.47
2qqdC-1iwpA:
14.18
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.
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
 0.86A 2qqdB-1j8mF:
0.2
2qqdC-1j8mF:
0.0		 2qqdB-1j8mF:
15.67
2qqdC-1j8mF:
20.33
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.
1kkh MEVALONATE KINASE

(Methanocaldococcus
jannaschii) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 ILE A 122
GLU A 135
LEU A 144
GLY A 145
 None
 0.75A 2qqdB-1kkhA:
undetectable
2qqdC-1kkhA:
undetectable		 2qqdB-1kkhA:
17.10
2qqdC-1kkhA:
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.
1ktn 2-DEOXYRIBOSE-5-PHOS
PHATE ALDOLASE

(Escherichia
coli) 		PF01791
(DeoC) 		4 GLU A 210
LEU A   4
LEU A 248
GLY A 249
 None
 0.86A 2qqdB-1ktnA:
undetectable
2qqdC-1ktnA:
undetectable		 2qqdB-1ktnA:
24.12
2qqdC-1ktnA:
25.29
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.
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
 0.84A 2qqdB-1mroA:
undetectable
2qqdC-1mroA:
undetectable		 2qqdB-1mroA:
10.89
2qqdC-1mroA:
14.99
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.
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)
 0.21A 2qqdB-1mt1A:
undetectable
2qqdC-1mt1A:
3.3		 2qqdB-1mt1A:
28.26
2qqdC-1mt1A:
98.08
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
 0.22A 2qqdB-1n2mA:
18.5
2qqdC-1n2mA:
29.7		 2qqdB-1n2mA:
100.00
2qqdC-1n2mA:
98.79
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.
1n8y PROTOONCOPROTEIN

(Rattus
norvegicus) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		4 ILE C 409
GLU C 300
LEU C 283
GLY C 441
 None
 0.71A 2qqdB-1n8yC:
undetectable
2qqdC-1n8yC:
undetectable		 2qqdB-1n8yC:
11.95
2qqdC-1n8yC:
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.
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
 0.88A 2qqdB-1ni5A:
undetectable
2qqdC-1ni5A:
undetectable		 2qqdB-1ni5A:
11.63
2qqdC-1ni5A:
16.94
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT
QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
9 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF08992
(QH-AmDH_gamma)
no annotation 		4 ARG B   9
LEU C  51
ASP C  39
LEU B 327
 None
None
None
TRW  C  43 ( 4.2A)
 0.89A 2qqdB-1pbyB:
undetectable
2qqdC-1pbyB:
undetectable		 2qqdB-1pbyB:
19.23
2qqdC-1pbyB:
21.34
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.
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
 0.61A 2qqdB-1qorA:
undetectable
2qqdC-1qorA:
undetectable		 2qqdB-1qorA:
18.15
2qqdC-1qorA:
20.25
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.
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
 0.80A 2qqdB-1t1eA:
undetectable
2qqdC-1t1eA:
undetectable		 2qqdB-1t1eA:
9.71
2qqdC-1t1eA:
13.71
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.
1ub3 ALDOLASE PROTEIN

(Thermus
thermophilus) 		PF01791
(DeoC) 		4 ARG A 159
LEU A 169
ASP A 165
GLY A 160
 None
 0.90A 2qqdB-1ub3A:
undetectable
2qqdC-1ub3A:
undetectable		 2qqdB-1ub3A:
19.18
2qqdC-1ub3A:
22.27
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
 0.84A 2qqdB-1wchA:
undetectable
2qqdC-1wchA:
undetectable		 2qqdB-1wchA:
15.24
2qqdC-1wchA:
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.
1wu2 MOLYBDOPTERIN
BIOSYNTHESIS MOEA
PROTEIN

(Pyrococcus
horikoshii) 		PF00994
(MoCF_biosynth)
PF03453
(MoeA_N)
PF03454
(MoeA_C) 		4 ILE A 214
LEU A 369
LEU A 219
GLY A 218
 None
 0.91A 2qqdB-1wu2A:
undetectable
2qqdC-1wu2A:
undetectable		 2qqdB-1wu2A:
18.54
2qqdC-1wu2A:
21.88
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.
2ako GLUTAMATE 5-KINASE

(Campylobacter
jejuni) 		PF00696
(AA_kinase) 		4 ILE A  77
LEU A  27
LEU A 123
GLY A  91
 None
 0.91A 2qqdB-2akoA:
undetectable
2qqdC-2akoA:
undetectable		 2qqdB-2akoA:
20.33
2qqdC-2akoA:
22.88
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.
2chg REPLICATION FACTOR C
SMALL SUBUNIT

(Archaeoglobus
fulgidus) 		PF00004
(AAA) 		4 ILE A  26
GLU A  34
ASP A  61
LEU A  58
 None
 0.90A 2qqdB-2chgA:
undetectable
2qqdC-2chgA:
undetectable		 2qqdB-2chgA:
19.37
2qqdC-2chgA:
20.61
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.
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
 0.84A 2qqdB-2djzA:
0.7
2qqdC-2djzA:
undetectable		 2qqdB-2djzA:
17.57
2qqdC-2djzA:
20.92
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.
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 2qqdB-2fknA:
undetectable
2qqdC-2fknA:
undetectable		 2qqdB-2fknA:
12.84
2qqdC-2fknA:
14.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g42 HYPOTHETICAL PROTEIN
TM_0693

(Thermotoga
maritima) 		no annotation 4 ARG A  29
LEU A  52
ASP A  48
LEU A  45
 None
 0.86A 2qqdB-2g42A:
undetectable
2qqdC-2g42A:
undetectable		 2qqdB-2g42A:
25.00
2qqdC-2g42A:
21.43
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.
2gfp MULTIDRUG RESISTANCE
PROTEIN D

(Escherichia
coli) 		PF07690
(MFS_1) 		4 ILE A  26
ASP A  33
LEU A 238
GLY A 239
 None
 0.90A 2qqdB-2gfpA:
undetectable
2qqdC-2gfpA:
undetectable		 2qqdB-2gfpA:
13.45
2qqdC-2gfpA:
17.38
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
 0.81A 2qqdB-2hruA:
undetectable
2qqdC-2hruA:
1.6		 2qqdB-2hruA:
12.32
2qqdC-2hruA:
15.68
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.
2ivy HYPOTHETICAL PROTEIN
SSO1404

(Sulfolobus
solfataricus) 		PF09827
(CRISPR_Cas2) 		4 GLU A  77
ASP A  30
LEU A  29
GLY A  28
 None
 0.81A 2qqdB-2ivyA:
undetectable
2qqdC-2ivyA:
undetectable		 2qqdB-2ivyA:
20.69
2qqdC-2ivyA:
22.42
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.
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
 0.84A 2qqdB-2jjzB:
undetectable
2qqdC-2jjzB:
undetectable		 2qqdB-2jjzB:
22.06
2qqdC-2jjzB:
25.68
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.
2p1g PUTATIVE XYLANASE

(Bacteroides
fragilis) 		PF07313
(DUF1460) 		4 ILE A 211
MET A 256
LEU A  72
GLY A  30
 None
 0.92A 2qqdB-2p1gA:
undetectable
2qqdC-2p1gA:
undetectable		 2qqdB-2p1gA:
19.09
2qqdC-2p1gA:
20.33
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.
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
 0.70A 2qqdB-2pbgA:
undetectable
2qqdC-2pbgA:
undetectable		 2qqdB-2pbgA:
15.97
2qqdC-2pbgA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qfv ISOCITRATE
DEHYDROGENASE [NADP]

(Saccharomyces
cerevisiae) 		PF00180
(Iso_dh) 		4 ARG A  21
ASP A  44
LEU A  45
GLY A  16
 None
 0.92A 2qqdB-2qfvA:
undetectable
2qqdC-2qfvA:
undetectable		 2qqdB-2qfvA:
15.59
2qqdC-2qfvA:
18.16
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.
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 2qqdB-2rdpA:
undetectable
2qqdC-2rdpA:
undetectable		 2qqdB-2rdpA:
21.15
2qqdC-2rdpA:
25.70
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.
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
 0.62A 2qqdB-2v7gA:
undetectable
2qqdC-2v7gA:
undetectable		 2qqdB-2v7gA:
13.46
2qqdC-2v7gA:
16.82
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.
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
 0.82A 2qqdB-2vd9A:
undetectable
2qqdC-2vd9A:
undetectable		 2qqdB-2vd9A:
14.83
2qqdC-2vd9A:
16.11
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.
2vha PERIPLASMIC BINDING
TRANSPORT PROTEIN

(Shigella
flexneri) 		PF00497
(SBP_bac_3) 		4 ILE A 107
MET A 226
LEU A 215
GLY A  89
 None
 0.91A 2qqdB-2vhaA:
undetectable
2qqdC-2vhaA:
undetectable		 2qqdB-2vhaA:
17.44
2qqdC-2vhaA:
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 ARG A 404
LEU A  40
ASP A  36
LEU A  33
 None
 0.79A 2qqdB-2ynkA:
undetectable
2qqdC-2ynkA:
undetectable		 2qqdB-2ynkA:
14.08
2qqdC-2ynkA:
16.93
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.
3a1y ACIDIC RIBOSOMAL
PROTEIN P0

(Pyrococcus
horikoshii) 		PF00466
(Ribosomal_L10) 		4 LEU G 192
ASP G 190
LEU G 189
GLY G 188
 None
 0.93A 2qqdB-3a1yG:
undetectable
2qqdC-3a1yG:
undetectable		 2qqdB-3a1yG:
18.15
2qqdC-3a1yG:
22.70
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.
3b13 DEDICATOR OF
CYTOKINESIS PROTEIN
2

(Homo sapiens) 		PF06920
(DHR-2) 		4 MET A1512
LEU A1530
LEU A1580
GLY A1581
 None
 0.88A 2qqdB-3b13A:
undetectable
2qqdC-3b13A:
undetectable		 2qqdB-3b13A:
14.49
2qqdC-3b13A:
17.12
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.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		4 LEU A  43
ASP A  44
LEU A  53
GLY A  50
 None
 0.81A 2qqdB-3bxoA:
undetectable
2qqdC-3bxoA:
undetectable		 2qqdB-3bxoA:
15.56
2qqdC-3bxoA:
19.66
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.
3d9w PUTATIVE
ACETYLTRANSFERASE

(Nocardia
farcinica) 		PF00797
(Acetyltransf_2) 		5 GLU A  52
LEU A  54
ASP A 275
LEU A 276
GLY A 273
 None
 1.32A 2qqdB-3d9wA:
undetectable
2qqdC-3d9wA:
undetectable		 2qqdB-3d9wA:
15.52
2qqdC-3d9wA:
19.24
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.
3dbo UNCHARACTERIZED
PROTEIN

(Mycobacterium
tuberculosis) 		PF01850
(PIN)
PF02604
(PhdYeFM_antitox) 		4 ILE B  70
ASP A  77
LEU A  74
GLY A  73
 None
 0.90A 2qqdB-3dboB:
undetectable
2qqdC-3dboB:
undetectable		 2qqdB-3dboB:
20.81
2qqdC-3dboB:
20.12
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.
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 2qqdB-3dnpA:
undetectable
2qqdC-3dnpA:
undetectable		 2qqdB-3dnpA:
17.88
2qqdC-3dnpA:
19.86
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.
3dpi NAD+ SYNTHETASE

(Burkholderia
pseudomallei) 		PF02540
(NAD_synthase) 		4 ARG A 226
ASP A 139
LEU A 142
GLY A 143
 None
 0.78A 2qqdB-3dpiA:
undetectable
2qqdC-3dpiA:
undetectable		 2qqdB-3dpiA:
18.21
2qqdC-3dpiA:
22.94
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.
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
 0.74A 2qqdB-3gx1A:
undetectable
2qqdC-3gx1A:
undetectable		 2qqdB-3gx1A:
20.86
2qqdC-3gx1A:
23.49
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
 0.90A 2qqdB-3iz3B:
undetectable
2qqdC-3iz3B:
undetectable		 2qqdB-3iz3B:
7.25
2qqdC-3iz3B:
9.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k92 NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 ILE A  24
GLU A 323
LEU A 344
ASP A 401
 None
 0.82A 2qqdB-3k92A:
undetectable
2qqdC-3k92A:
undetectable		 2qqdB-3k92A:
14.77
2qqdC-3k92A:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2qqdB-3kl4A:
undetectable
2qqdC-3kl4A:
undetectable		 2qqdB-3kl4A:
14.72
2qqdC-3kl4A:
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.
3lqu 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Salmonella
enterica) 		PF00926
(DHBP_synthase) 		4 GLU A  40
ARG A 150
LEU A 140
GLY A  94
 5SP  A 500 (-3.9A)
5SP  A 500 (-2.8A)
5SP  A 500 ( 4.8A)
None
 0.87A 2qqdB-3lquA:
undetectable
2qqdC-3lquA:
undetectable		 2qqdB-3lquA:
21.66
2qqdC-3lquA:
27.43
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.
3n7z ACETYLTRANSFERASE,
GNAT FAMILY

(Bacillus
anthracis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		4 ILE A 349
ARG A 355
LEU A 296
GLY A 352
 None
 0.92A 2qqdB-3n7zA:
undetectable
2qqdC-3n7zA:
undetectable		 2qqdB-3n7zA:
17.17
2qqdC-3n7zA:
16.75
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.
3u4a JMB19063

(compost
metagenome) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ARG A 248
LEU A  23
ASP A 289
GLY A 256
 None
 0.87A 2qqdB-3u4aA:
undetectable
2qqdC-3u4aA:
undetectable		 2qqdB-3u4aA:
8.80
2qqdC-3u4aA:
11.24
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.
3uxf FIMBRIAL SUBUNIT
TYPE 1

(Actinomyces
oris) 		no annotation 4 ILE A 208
LEU A 278
LEU A 323
GLY A 322
 None
 0.74A 2qqdB-3uxfA:
undetectable
2qqdC-3uxfA:
undetectable		 2qqdB-3uxfA:
12.86
2qqdC-3uxfA:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0m BETAINE ALDEHYDE
DEHYDROGENASE,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00171
(Aldedh) 		4 ILE A  39
GLU A 193
LEU A  92
ASP A  96
 None
None
None
K  A1497 (-4.0A)
 0.92A 2qqdB-4a0mA:
undetectable
2qqdC-4a0mA:
undetectable		 2qqdB-4a0mA:
12.79
2qqdC-4a0mA:
16.13
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.
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
 0.60A 2qqdB-4a29A:
undetectable
2qqdC-4a29A:
undetectable		 2qqdB-4a29A:
19.51
2qqdC-4a29A:
18.92
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.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		4 GLU A  12
ARG A 172
LEU A  35
GLY A 170
 None
 0.83A 2qqdB-4a9aA:
undetectable
2qqdC-4a9aA:
undetectable		 2qqdB-4a9aA:
15.38
2qqdC-4a9aA:
18.25
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.
4aef NEOPULLULANASE
(ALPHA-AMYLASE II)

(Pyrococcus
furiosus) 		PF00128
(Alpha-amylase)
PF02903
(Alpha-amylase_N)
PF16561
(AMPK1_CBM) 		4 ILE A 239
LEU A 258
LEU A 282
GLY A 283
 None
 0.92A 2qqdB-4aefA:
undetectable
2qqdC-4aefA:
undetectable		 2qqdB-4aefA:
12.03
2qqdC-4aefA:
14.64
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
 0.75A 2qqdB-4cd8A:
undetectable
2qqdC-4cd8A:
undetectable		 2qqdB-4cd8A:
17.61
2qqdC-4cd8A:
18.01
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.
4epz TRANSCRIPTION
ANTI-TERMINATOR
ANTAGONIST UPXZ

(Bacteroides
uniformis) 		PF06603
(UpxZ) 		4 ILE A  93
GLU A 122
LEU A 107
GLY A  59
 None
 0.90A 2qqdB-4epzA:
undetectable
2qqdC-4epzA:
undetectable		 2qqdB-4epzA:
21.38
2qqdC-4epzA:
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.
4exq UROPORPHYRINOGEN
DECARBOXYLASE

(Burkholderia
thailandensis) 		PF01208
(URO-D) 		4 ARG A 242
LEU A  14
ASP A 271
GLY A 269
 None
 0.86A 2qqdB-4exqA:
undetectable
2qqdC-4exqA:
undetectable		 2qqdB-4exqA:
15.20
2qqdC-4exqA:
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.
4f4c MULTIDRUG RESISTANCE
PROTEIN PGP-1

(Caenorhabditis
elegans) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 ILE A1174
LEU A1164
LEU A 291
GLY A1176
 None
 0.82A 2qqdB-4f4cA:
undetectable
2qqdC-4f4cA:
undetectable		 2qqdB-4f4cA:
6.36
2qqdC-4f4cA:
9.76
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.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		4 GLU A  99
ARG A  52
ASP A  92
LEU A  87
 None
 0.86A 2qqdB-4gxwA:
undetectable
2qqdC-4gxwA:
undetectable		 2qqdB-4gxwA:
14.89
2qqdC-4gxwA:
18.62
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.
4hcx ISOCITRATE
DEHYDROGENASE [NADP]

(Mycobacterium
tuberculosis) 		PF00180
(Iso_dh) 		4 ARG A  23
ASP A  46
LEU A  47
GLY A  18
 None
 0.91A 2qqdB-4hcxA:
undetectable
2qqdC-4hcxA:
undetectable		 2qqdB-4hcxA:
17.93
2qqdC-4hcxA:
17.76
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
 0.87A 2qqdB-4is7A:
undetectable
2qqdC-4is7A:
undetectable		 2qqdB-4is7A:
21.43
2qqdC-4is7A:
22.16
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.
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
 0.81A 2qqdB-4jb6A:
0.3
2qqdC-4jb6A:
undetectable		 2qqdB-4jb6A:
13.99
2qqdC-4jb6A:
17.90
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.
4oan TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT

(Rhodopseudomonas
palustris) 		PF03480
(DctP) 		4 ILE A 101
GLU A 217
ASP A 243
GLY A  99
 None
 0.92A 2qqdB-4oanA:
undetectable
2qqdC-4oanA:
undetectable		 2qqdB-4oanA:
17.07
2qqdC-4oanA:
20.80
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.
4oaq R-SPECIFIC CARBONYL
REDUCTASE

(Candida
parapsilosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 LEU A  55
ASP A  51
LEU A  47
GLY A  46
 None
 0.69A 2qqdB-4oaqA:
undetectable
2qqdC-4oaqA:
undetectable		 2qqdB-4oaqA:
13.90
2qqdC-4oaqA:
18.21
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.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		4 ILE A 134
LEU A  74
LEU A  94
GLY A 136
 None
 0.88A 2qqdB-4qiqA:
undetectable
2qqdC-4qiqA:
undetectable		 2qqdB-4qiqA:
14.09
2qqdC-4qiqA:
16.35
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.
4reg UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF01905
(DevR) 		4 ILE A   9
MET A 245
LEU A 266
GLY A   7
 None
 0.86A 2qqdB-4regA:
0.9
2qqdC-4regA:
undetectable		 2qqdB-4regA:
14.03
2qqdC-4regA:
21.21
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.
4u1c EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT C

(Saccharomyces
cerevisiae) 		PF01399
(PCI)
PF05470
(eIF-3c_N) 		4 GLU C 416
LEU C 429
LEU C 486
GLY C 485
 None
 0.77A 2qqdB-4u1cC:
undetectable
2qqdC-4u1cC:
undetectable		 2qqdB-4u1cC:
11.19
2qqdC-4u1cC:
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.
4uer EIF3C

(Lachancea
kluyveri) 		PF00189
(Ribosomal_S3_C)
PF07650
(KH_2) 		4 GLU c 416
LEU c 429
LEU c 486
GLY c 485
 None
 0.77A 2qqdB-4uerc:
undetectable
2qqdC-4uerc:
undetectable		 2qqdB-4uerc:
8.26
2qqdC-4uerc:
11.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uhm OMEGA AMINO
ACID-PYRUVATE
AMINOTRANSFERASE

(Pseudomonas sp.) 		PF00202
(Aminotran_3) 		4 ILE A  72
GLU A 348
LEU A 350
GLY A 293
 None
 0.89A 2qqdB-4uhmA:
undetectable
2qqdC-4uhmA:
undetectable		 2qqdB-4uhmA:
12.89
2qqdC-4uhmA:
17.15
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.
4v1u LYND

(Lyngbya
aestuarii) 		PF02624
(YcaO) 		4 MET A 773
LEU A 622
LEU A 597
GLY A 554
 None
 0.90A 2qqdB-4v1uA:
undetectable
2qqdC-4v1uA:
undetectable		 2qqdB-4v1uA:
9.26
2qqdC-4v1uA:
12.17
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.
4xfe TRAP DICARBOXYLATE
TRANSPORTER SUBUNIT
DCTP

(Pseudomonas
putida) 		PF03480
(DctP) 		4 ILE A  92
GLU A 208
LEU A 232
GLY A  94
 None
 0.93A 2qqdB-4xfeA:
undetectable
2qqdC-4xfeA:
undetectable		 2qqdB-4xfeA:
15.50
2qqdC-4xfeA:
20.72
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.
4y4v CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF03734
(YkuD) 		4 LEU A 184
ASP A 188
LEU A 191
GLY A 193
 None
 0.48A 2qqdB-4y4vA:
undetectable
2qqdC-4y4vA:
undetectable		 2qqdB-4y4vA:
15.91
2qqdC-4y4vA:
19.94
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.
4yf1 LMO0812 PROTEIN

(Listeria
monocytogenes) 		PF13328
(HD_4) 		4 GLU A 169
LEU A 115
ASP A 116
GLY A  22
 None
 0.86A 2qqdB-4yf1A:
undetectable
2qqdC-4yf1A:
undetectable		 2qqdB-4yf1A:
17.80
2qqdC-4yf1A:
22.22
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.
4yue S4B6 FAB LIGHT CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE L  88
ASP L 168
LEU L  43
GLY L  44
 None
 0.91A 2qqdB-4yueL:
undetectable
2qqdC-4yueL:
undetectable		 2qqdB-4yueL:
19.49
2qqdC-4yueL:
21.58
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.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		5 ARG A 296
LEU A  70
ASP A 339
LEU A 308
GLY A 307
 None
 0.85A 2qqdB-4yyfA:
undetectable
2qqdC-4yyfA:
undetectable		 2qqdB-4yyfA:
13.61
2qqdC-4yyfA:
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.
4z2e DNA GYRASE SUBUNIT A

(Streptococcus
pneumoniae) 		PF00521
(DNA_topoisoIV) 		4 ILE A 464
ARG A 460
LEU A 447
ASP A 450
 None
 0.89A 2qqdB-4z2eA:
undetectable
2qqdC-4z2eA:
undetectable		 2qqdB-4z2eA:
14.15
2qqdC-4z2eA:
18.54
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.
4zm6 N-ACETYL-BETA-D
GLUCOSAMINIDASE

(Rhizomucor
miehei) 		PF00583
(Acetyltransf_1)
PF00933
(Glyco_hydro_3) 		4 ARG A 256
LEU A  16
ASP A 294
GLY A 263
 None
 0.75A 2qqdB-4zm6A:
undetectable
2qqdC-4zm6A:
undetectable		 2qqdB-4zm6A:
9.33
2qqdC-4zm6A:
12.62
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.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 LEU A 536
ASP A  88
LEU A  89
GLY A  86
 None
 0.87A 2qqdB-5a8rA:
undetectable
2qqdC-5a8rA:
undetectable		 2qqdB-5a8rA:
12.84
2qqdC-5a8rA:
15.89
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.
5bu9 BETA-N-ACETYLHEXOSAM
INIDASE

(Beutenbergia
cavernae) 		PF00933
(Glyco_hydro_3) 		4 ARG A 324
LEU A  82
ASP A 362
GLY A 331
 None
 0.73A 2qqdB-5bu9A:
undetectable
2qqdC-5bu9A:
undetectable		 2qqdB-5bu9A:
16.62
2qqdC-5bu9A:
19.30
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.
5ce8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE

(Thermoproteus
uzoniensis) 		PF01063
(Aminotran_4) 		4 GLU A 188
LEU A 125
ASP A 171
GLY A 169
 None
 0.90A 2qqdB-5ce8A:
undetectable
2qqdC-5ce8A:
undetectable		 2qqdB-5ce8A:
19.33
2qqdC-5ce8A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cm9 RAL GUANINE
NUCLEOTIDE
DISSOCIATION
STIMULATOR-LIKE 2

(Mus musculus) 		PF00617
(RasGEF)
PF00618
(RasGEF_N) 		4 ARG A 184
ASP A 139
LEU A 136
GLY A 135
 None
 0.86A 2qqdB-5cm9A:
undetectable
2qqdC-5cm9A:
undetectable		 2qqdB-5cm9A:
12.68
2qqdC-5cm9A:
16.49
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.
5h2f CYTOCHROME B559
SUBUNIT ALPHA

(Thermosynechococcus
elongatus) 		PF00283
(Cytochrom_B559)
PF00284
(Cytochrom_B559a) 		4 ARG E  51
ASP E  45
LEU E  42
GLY E  41
 None
 0.57A 2qqdB-5h2fE:
undetectable
2qqdC-5h2fE:
undetectable		 2qqdB-5h2fE:
23.48
2qqdC-5h2fE:
21.57
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.
5h3o CYCLIC
NUCLEOTIDE-GATED
CATION CHANNEL

(Caenorhabditis
elegans) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF16526
(CLZ) 		4 ARG A 280
LEU A 216
ASP A 212
LEU A 209
 None
 0.77A 2qqdB-5h3oA:
undetectable
2qqdC-5h3oA:
undetectable		 2qqdB-5h3oA:
8.77
2qqdC-5h3oA:
14.09
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.
5j84 DIHYDROXY-ACID
DEHYDRATASE

(Rhizobium
leguminosarum) 		PF00920
(ILVD_EDD) 		4 ILE A 369
LEU A 336
LEU A 329
GLY A 328
 None
 0.88A 2qqdB-5j84A:
undetectable
2qqdC-5j84A:
undetectable		 2qqdB-5j84A:
14.15
2qqdC-5j84A:
15.75
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.
5l3s SIGNAL RECOGNITION
PARTICLE 54 KDA
PROTEIN

(Sulfolobus
solfataricus) 		PF00448
(SRP54)
PF02881
(SRP54_N) 		4 ILE A 181
LEU A 101
LEU A 129
GLY A 128
 None
 0.87A 2qqdB-5l3sA:
undetectable
2qqdC-5l3sA:
undetectable		 2qqdB-5l3sA:
16.49
2qqdC-5l3sA:
20.62
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.
5mg3 PROTEIN TRANSLOCASE
SUBUNIT SECD
PROTEIN TRANSLOCASE
SUBUNIT SECF

(Escherichia
coli) 		PF02355
(SecD_SecF)
PF07549
(Sec_GG)
PF13721
(SecD-TM1) 		4 GLU F 132
LEU F  50
ASP F  51
GLY D 573
 None
 0.85A 2qqdB-5mg3F:
undetectable
2qqdC-5mg3F:
undetectable		 2qqdB-5mg3F:
17.89
2qqdC-5mg3F:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oac MAJOR CAPSID PROTEIN

(unidentified
phage) 		no annotation 4 ILE A 256
LEU A 181
LEU A 184
GLY A 185
 None
 0.87A 2qqdB-5oacA:
undetectable
2qqdC-5oacA:
undetectable		 2qqdB-5oacA:
16.50
2qqdC-5oacA:
23.64
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.
5v8k P800 REACTION CENTER
CORE PROTEIN

(Heliobacterium
modesticaldum) 		PF00223
(PsaA_PsaB) 		4 GLU A 112
LEU A  30
LEU A  37
GLY A  38
 GBF  A1010 (-3.4A)
GBF  A1011 (-3.9A)
GBF  A1008 ( 3.2A)
None
 0.84A 2qqdB-5v8kA:
undetectable
2qqdC-5v8kA:
undetectable		 2qqdB-5v8kA:
11.44
2qqdC-5v8kA:
14.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vzj EXOSOME COMPLEX
EXONUCLEASE RRP6

(Saccharomyces
cerevisiae) 		PF00570
(HRDC)
PF01612
(DNA_pol_A_exo1) 		4 ILE J 140
GLU J 272
ASP J 303
GLY J 249
 None
 0.88A 2qqdB-5vzjJ:
undetectable
2qqdC-5vzjJ:
undetectable		 2qqdB-5vzjJ:
11.59
2qqdC-5vzjJ:
14.82
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.
5w21 FIBROBLAST GROWTH
FACTOR 23
KLOTHO

(Homo sapiens) 		no annotation 4 ILE A 812
ARG B 198
ASP A 756
LEU A 753
 None
 0.71A 2qqdB-5w21A:
undetectable
2qqdC-5w21A:
undetectable		 2qqdB-5w21A:
20.54
2qqdC-5w21A:
21.01
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.
5xko CYTIDINE/DEOXYCYTIDY
LATE DEAMINASE,
ZINC-BINDING REGION

(Mycolicibacterium
smegmatis) 		PF00383
(dCMP_cyt_deam_1) 		4 GLU A 144
ARG A 100
LEU A   8
ASP A   7
 None
 0.92A 2qqdB-5xkoA:
undetectable
2qqdC-5xkoA:
undetectable		 2qqdB-5xkoA:
16.35
2qqdC-5xkoA:
19.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xnl CYTOCHROME B559
SUBUNIT ALPHA

(Pisum sativum) 		PF00283
(Cytochrom_B559)
PF00284
(Cytochrom_B559a) 		4 ARG E  51
ASP E  45
LEU E  42
GLY E  41
 None
 0.69A 2qqdB-5xnlE:
undetectable
2qqdC-5xnlE:
undetectable		 2qqdB-5xnlE:
20.00
2qqdC-5xnlE:
22.22
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.
5xvs GDP/UDP-N,N'-DIACETY
LBACILLOSAMINE
2-EPIMERASE
(HYDROLYZING)

(Acinetobacter
baumannii) 		no annotation 4 ILE A 272
LEU A 178
LEU A  16
GLY A  15
 UDP  A 402 (-4.6A)
None
None
None
 0.93A 2qqdB-5xvsA:
undetectable
2qqdC-5xvsA:
undetectable		 2qqdB-5xvsA:
21.62
2qqdC-5xvsA:
25.32
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.
5yll BETA-1,4-MANNANASE

(Amphibacillus
xylanus) 		no annotation 4 ARG B 162
ASP B 188
LEU B 168
GLY B 167
 None
 0.80A 2qqdB-5yllB:
undetectable
2qqdC-5yllB:
undetectable		 2qqdB-5yllB:
17.59
2qqdC-5yllB:
19.75
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.
6c49 ALCOHOL
DEHYDROGENASE

(Acinetobacter
baumannii) 		no annotation 4 LEU A  50
ASP A  46
LEU A  42
GLY A  41
 None
 0.66A 2qqdB-6c49A:
undetectable
2qqdC-6c49A:
undetectable		 2qqdB-6c49A:
22.45
2qqdC-6c49A:
22.97
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.
6gh6 RNA POLYMERASE
SIGMA-54 FACTOR,RNA
POLYMERASE SIGMA-54
FACTOR,RNA
POLYMERASE SIGMA-54
FACTOR,RNA
POLYMERASE SIGMA-54
FACTOR,RNA
POLYMERASE SIGMA-54
FACTOR

(Klebsiella
pneumoniae) 		no annotation 4 ILE M 165
LEU M 179
LEU M 172
GLY M 171
 None
 0.91A 2qqdB-6gh6M:
undetectable
2qqdC-6gh6M:
undetectable		 2qqdB-6gh6M:
14.43
2qqdC-6gh6M:
18.18