SIMILAR PATTERNS OF AMINO ACIDS FOR 2QQC_E_AG2E671_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.
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
 0.89A 2qqcD-1e6vA:
0.4
2qqcE-1e6vA:
undetectable		 2qqcD-1e6vA:
11.21
2qqcE-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
 0.73A 2qqcD-1gt91:
0.0
2qqcE-1gt91:
0.0		 2qqcD-1gt91:
13.55
2qqcE-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.
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
 0.90A 2qqcD-1iwpA:
0.0
2qqcE-1iwpA:
0.0		 2qqcD-1iwpA:
11.47
2qqcE-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.
1ixl HYPOTHETICAL PROTEIN
PH1136

(Pyrococcus
horikoshii) 		PF03061
(4HBT) 		4 GLN A   6
LEU A  61
LEU A  54
GLY A  53
 GLN  A   6 ( 0.6A)
LEU  A  61 ( 0.6A)
LEU  A  54 ( 0.6A)
GLY  A  53 ( 0.0A)
 0.91A 2qqcD-1ixlA:
0.0
2qqcE-1ixlA:
undetectable		 2qqcD-1ixlA:
20.59
2qqcE-1ixlA:
12.21
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.
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 2qqcD-1j8mF:
0.0
2qqcE-1j8mF:
undetectable		 2qqcD-1j8mF:
15.67
2qqcE-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.
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 2qqcD-1mroA:
0.5
2qqcE-1mroA:
undetectable		 2qqcD-1mroA:
10.89
2qqcE-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 2qqcD-1mt1A:
undetectable
2qqcE-1mt1A:
6.5		 2qqcD-1mt1A:
28.26
2qqcE-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
 0.23A 2qqcD-1n2mA:
18.4
2qqcE-1n2mA:
3.0		 2qqcD-1n2mA:
99.11
2qqcE-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
 0.91A 2qqcD-1ni5A:
0.0
2qqcE-1ni5A:
0.0		 2qqcD-1ni5A:
11.29
2qqcE-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
 0.87A 2qqcD-1nnhA:
0.0
2qqcE-1nnhA:
undetectable		 2qqcD-1nnhA:
16.96
2qqcE-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
 0.83A 2qqcD-1o94A:
undetectable
2qqcE-1o94A:
0.0		 2qqcD-1o94A:
9.59
2qqcE-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
 0.82A 2qqcD-1qfwL:
undetectable
2qqcE-1qfwL:
undetectable		 2qqcD-1qfwL:
20.93
2qqcE-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.
1r30 BIOTIN SYNTHASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		4 GLN A 313
ARG A 265
LEU A 302
ASP A 301
 None
 0.95A 2qqcD-1r30A:
undetectable
2qqcE-1r30A:
0.0		 2qqcD-1r30A:
14.01
2qqcE-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
 0.92A 2qqcD-1rc2B:
undetectable
2qqcE-1rc2B:
undetectable		 2qqcD-1rc2B:
19.48
2qqcE-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.
1srd COPPER,ZINC
SUPEROXIDE DISMUTASE

(Spinacia
oleracea) 		PF00080
(Sod_Cu) 		4 GLN A  23
ARG A  79
ASP A 101
GLY A  82
 None
 0.77A 2qqcD-1srdA:
undetectable
2qqcE-1srdA:
undetectable		 2qqcD-1srdA:
22.64
2qqcE-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.
1tlt PUTATIVE
OXIDOREDUCTASE
(VIRULENCE FACTOR
MVIM HOMOLOG)

(Escherichia
coli) 		PF01408
(GFO_IDH_MocA) 		4 ARG A 126
LEU A 168
ASP A 172
LEU A 175
 None
 0.94A 2qqcD-1tltA:
undetectable
2qqcE-1tltA:
undetectable		 2qqcD-1tltA:
16.82
2qqcE-1tltA:
13.08
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.
1x9s DNA POLYMERASE

(Escherichia
virus T7) 		PF00476
(DNA_pol_A) 		4 ILE A 500
LEU A 614
LEU A 479
GLY A 478
 None
 0.98A 2qqcD-1x9sA:
1.2
2qqcE-1x9sA:
undetectable		 2qqcD-1x9sA:
10.42
2qqcE-1x9sA:
8.19
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.
1zle PTR NECROSIS TOXIN

(Pyrenophora
tritici-repentis) 		PF11584
(Toxin_ToxA) 		4 ILE A 120
LEU A 161
LEU A 108
GLY A 107
 None
 0.89A 2qqcD-1zleA:
undetectable
2qqcE-1zleA:
undetectable		 2qqcD-1zleA:
19.70
2qqcE-1zleA:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.82A 2qqcD-2bihA:
undetectable
2qqcE-2bihA:
undetectable		 2qqcD-2bihA:
13.19
2qqcE-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.
2bye PHOSPHOLIPASE C,
EPSILON 1

(Homo sapiens) 		no annotation 4 GLN A  40
LEU A  37
LEU A 105
GLY A  16
 None
 0.97A 2qqcD-2byeA:
undetectable
2qqcE-2byeA:
undetectable		 2qqcD-2byeA:
19.35
2qqcE-2byeA:
13.76
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.
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
 0.85A 2qqcD-2djzA:
0.6
2qqcE-2djzA:
undetectable		 2qqcD-2djzA:
17.57
2qqcE-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.
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
 0.68A 2qqcD-2fknA:
undetectable
2qqcE-2fknA:
undetectable		 2qqcD-2fknA:
12.84
2qqcE-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.
2g02 NISIN BIOSYNTHESIS
PROTEIN NISC

(Lactococcus
lactis) 		PF05147
(LANC_like) 		4 ILE A 220
LEU A 155
LEU A  87
GLY A 148
 None
 0.94A 2qqcD-2g02A:
undetectable
2qqcE-2g02A:
undetectable		 2qqcD-2g02A:
15.69
2qqcE-2g02A:
9.02
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.
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 2qqcD-2g42A:
undetectable
2qqcE-2g42A:
undetectable		 2qqcD-2g42A:
20.51
2qqcE-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.
2kc3 APOLIPOPROTEIN E

(Homo sapiens) 		PF01442
(Apolipoprotein) 		4 GLN A 101
LEU A 155
ASP A 151
LEU A 148
 None
 0.91A 2qqcD-2kc3A:
undetectable
2qqcE-2kc3A:
undetectable		 2qqcD-2kc3A:
19.46
2qqcE-2kc3A:
14.92
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.
2o1x 1-DEOXY-D-XYLULOSE-5
-PHOSPHATE SYNTHASE

(Deinococcus
radiodurans) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C)
PF13292
(DXP_synthase_N) 		4 ARG A  38
LEU A 267
ASP A  60
GLY A  57
 None
 0.97A 2qqcD-2o1xA:
undetectable
2qqcE-2o1xA:
undetectable		 2qqcD-2o1xA:
11.70
2qqcE-2o1xA:
7.48
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.
2o57 PUTATIVE SARCOSINE
DIMETHYLGLYCINE
METHYLTRANSFERASE

(Galdieria
sulphuraria) 		PF08241
(Methyltransf_11) 		4 ILE A 206
LEU A 238
LEU A 272
GLY A 271
 None
 0.93A 2qqcD-2o57A:
undetectable
2qqcE-2o57A:
undetectable		 2qqcD-2o57A:
17.06
2qqcE-2o57A:
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.
2o7p RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Escherichia
coli) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		4 ILE A 321
LEU A 364
LEU A 153
GLY A 154
 None
None
None
NAP  A 402 ( 4.8A)
 0.96A 2qqcD-2o7pA:
undetectable
2qqcE-2o7pA:
undetectable		 2qqcD-2o7pA:
14.81
2qqcE-2o7pA:
9.74
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.
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
 1.44A 2qqcD-2ongA:
undetectable
2qqcE-2ongA:
undetectable		 2qqcD-2ongA:
11.15
2qqcE-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 2qqcD-2pbgA:
undetectable
2qqcE-2pbgA:
undetectable		 2qqcD-2pbgA:
15.97
2qqcE-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
 0.79A 2qqcD-2q2lA:
undetectable
2qqcE-2q2lA:
undetectable		 2qqcD-2q2lA:
20.13
2qqcE-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.
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
 0.61A 2qqcD-2v7gA:
undetectable
2qqcE-2v7gA:
undetectable		 2qqcD-2v7gA:
13.64
2qqcE-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.
2y4f PEROXIDASE YCDB

(Escherichia
coli) 		PF04261
(Dyp_perox) 		4 ILE A 240
ARG A 238
ASP A 131
GLY A 364
 HEM  A 389 (-3.6A)
None
None
None
 0.94A 2qqcD-2y4fA:
undetectable
2qqcE-2y4fA:
undetectable		 2qqcD-2y4fA:
13.38
2qqcE-2y4fA:
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 ARG A 404
LEU A  40
ASP A  36
LEU A  33
 None
 0.79A 2qqcD-2ynkA:
undetectable
2qqcE-2ynkA:
undetectable		 2qqcD-2ynkA:
14.32
2qqcE-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.
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
 1.31A 2qqcD-2zbaA:
0.0
2qqcE-2zbaA:
undetectable		 2qqcD-2zbaA:
15.92
2qqcE-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.
2zie PUTATIVE
MODIFICATION
METHYLASE

(Thermus
thermophilus) 		PF01555
(N6_N4_Mtase) 		4 LEU A 240
ASP A 241
LEU A 250
GLY A 247
 None
 0.98A 2qqcD-2zieA:
undetectable
2qqcE-2zieA:
undetectable		 2qqcD-2zieA:
19.71
2qqcE-2zieA:
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.
2zle PROTEASE DO

(Escherichia
coli) 		PF00595
(PDZ)
PF13365
(Trypsin_2) 		4 ILE A 393
ASP A 355
LEU A 351
GLY A 350
 None
 0.83A 2qqcD-2zleA:
undetectable
2qqcE-2zleA:
undetectable		 2qqcD-2zleA:
13.17
2qqcE-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.
2zpa UNCHARACTERIZED
PROTEIN YPFI

(Escherichia
coli) 		PF05127
(Helicase_RecD)
PF08351
(DUF1726)
PF13718
(GNAT_acetyltr_2)
PF17176
(tRNA_bind_3) 		4 GLN A 641
LEU A 612
LEU A 599
GLY A 596
 None
 0.88A 2qqcD-2zpaA:
undetectable
2qqcE-2zpaA:
undetectable		 2qqcD-2zpaA:
10.48
2qqcE-2zpaA:
5.56
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.
3a1y ACIDIC RIBOSOMAL
PROTEIN P0

(Pyrococcus
horikoshii) 		PF00466
(Ribosomal_L10) 		4 LEU G 192
ASP G 190
LEU G 189
GLY G 188
 None
 0.90A 2qqcD-3a1yG:
undetectable
2qqcE-3a1yG:
undetectable		 2qqcD-3a1yG:
18.51
2qqcE-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.
3buj CALO2

(Micromonospora
echinospora) 		PF00067
(p450) 		4 GLN A 352
LEU A 348
LEU A 146
GLY A 147
 None
HEM  A 398 ( 4.4A)
None
None
 0.89A 2qqcD-3bujA:
undetectable
2qqcE-3bujA:
undetectable		 2qqcD-3bujA:
13.74
2qqcE-3bujA:
7.47
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.
3bxo N,N-DIMETHYLTRANSFER
ASE

(Streptomyces
venezuelae) 		PF13649
(Methyltransf_25) 		4 LEU A  43
ASP A  44
LEU A  53
GLY A  50
 None
 0.85A 2qqcD-3bxoA:
undetectable
2qqcE-3bxoA:
undetectable		 2qqcD-3bxoA:
17.18
2qqcE-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.
3dpi NAD+ SYNTHETASE

(Burkholderia
pseudomallei) 		PF02540
(NAD_synthase) 		4 ARG A 226
ASP A 139
LEU A 142
GLY A 143
 None
 0.76A 2qqcD-3dpiA:
undetectable
2qqcE-3dpiA:
undetectable		 2qqcD-3dpiA:
18.57
2qqcE-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.
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
 0.85A 2qqcD-3gx1A:
undetectable
2qqcE-3gx1A:
undetectable		 2qqcD-3gx1A:
20.86
2qqcE-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.
3hb7 ISOCHORISMATASE
HYDROLASE

(Alkaliphilus
metalliredigens) 		PF00857
(Isochorismatase) 		4 GLN A  55
ARG A  68
LEU A  12
ASP A  14
 None
 0.92A 2qqcD-3hb7A:
undetectable
2qqcE-3hb7A:
undetectable		 2qqcD-3hb7A:
24.32
2qqcE-3hb7A:
12.18
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.
3ils AFLATOXIN
BIOSYNTHESIS
POLYKETIDE SYNTHASE

(Aspergillus
parasiticus) 		PF00975
(Thioesterase) 		4 ILE A1962
LEU A1868
LEU A1871
GLY A1939
 None
 0.92A 2qqcD-3ilsA:
undetectable
2qqcE-3ilsA:
undetectable		 2qqcD-3ilsA:
18.11
2qqcE-3ilsA:
11.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ipc ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (AMINO ACID)

(Agrobacterium
fabrum) 		PF13458
(Peripla_BP_6) 		4 ILE A 127
GLN A 348
LEU A 132
GLY A 129
 None
 0.98A 2qqcD-3ipcA:
undetectable
2qqcE-3ipcA:
undetectable		 2qqcD-3ipcA:
17.80
2qqcE-3ipcA:
13.58
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.
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
 0.85A 2qqcD-3k70D:
undetectable
2qqcE-3k70D:
undetectable		 2qqcD-3k70D:
10.89
2qqcE-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.
3kje CO
DEHYDROGENASE/ACETYL
-COA SYNTHASE
COMPLEX, ACCESSORY
PROTEIN COOC

(Carboxydothermus
hydrogenoformans) 		PF01656
(CbiA) 		4 ARG A 115
LEU A  78
LEU A  75
GLY A  74
 None
 0.96A 2qqcD-3kjeA:
undetectable
2qqcE-3kjeA:
undetectable		 2qqcD-3kjeA:
19.76
2qqcE-3kjeA:
10.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2qqcD-3kl4A:
undetectable
2qqcE-3kl4A:
undetectable		 2qqcD-3kl4A:
14.49
2qqcE-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.
3km2 SUPEROXIDE DISMUTASE
[CU-ZN],
CHLOROPLASTIC

(Solanum
lycopersicum) 		PF00080
(Sod_Cu) 		4 GLN A  23
ARG A  79
ASP A 101
GLY A  82
 None
 0.93A 2qqcD-3km2A:
undetectable
2qqcE-3km2A:
undetectable		 2qqcD-3km2A:
18.52
2qqcE-3km2A:
18.83
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.
3l9y SUPEROXIDE DISMUTASE
[CU-ZN]

(Bombyx mori) 		PF00080
(Sod_Cu) 		4 GLN A  21
ARG A  78
ASP A 101
GLY A  81
 None
 0.81A 2qqcD-3l9yA:
undetectable
2qqcE-3l9yA:
undetectable		 2qqcD-3l9yA:
18.99
2qqcE-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.
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
 0.80A 2qqcD-3oo3A:
undetectable
2qqcE-3oo3A:
undetectable		 2qqcD-3oo3A:
15.14
2qqcE-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.
3qgu LL-DIAMINOPIMELATE
AMINOTRANSFERASE

(Chlamydomonas
reinhardtii) 		PF00155
(Aminotran_1_2) 		4 ILE A  87
LEU A 253
LEU A 340
GLY A 339
 None
GOL  A 452 (-3.8A)
None
None
 0.89A 2qqcD-3qguA:
undetectable
2qqcE-3qguA:
undetectable		 2qqcD-3qguA:
14.25
2qqcE-3qguA:
7.84
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.
3r9b CYTOCHROME P450
164A2

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		4 ILE A 121
LEU A 227
LEU A 367
GLY A 368
 None
None
HEM  A 501 ( 4.3A)
HEM  A 501 (-3.4A)
 0.96A 2qqcD-3r9bA:
undetectable
2qqcE-3r9bA:
undetectable		 2qqcD-3r9bA:
13.78
2qqcE-3r9bA:
10.69
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.
3s4l CAS3 METAL DEPENDENT
PHOSPHOHYDROLASE

(Methanocaldococcus
jannaschii) 		no annotation 4 ILE A 207
LEU A  62
LEU A 212
GLY A 209
 None
 0.84A 2qqcD-3s4lA:
undetectable
2qqcE-3s4lA:
undetectable		 2qqcD-3s4lA:
21.43
2qqcE-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.
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
 0.91A 2qqcD-3uufA:
undetectable
2qqcE-3uufA:
undetectable		 2qqcD-3uufA:
18.37
2qqcE-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.
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
 0.93A 2qqcD-3vr5D:
undetectable
2qqcE-3vr5D:
undetectable		 2qqcD-3vr5D:
13.25
2qqcE-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
 0.88A 2qqcD-3vxiA:
undetectable
2qqcE-3vxiA:
undetectable		 2qqcD-3vxiA:
13.70
2qqcE-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.
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
 0.58A 2qqcD-4a29A:
undetectable
2qqcE-4a29A:
undetectable		 2qqcD-4a29A:
19.67
2qqcE-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.
4bf7 ARABINOGALACTAN
ENDO-1,4-BETA-GALACT
OSIDASE A

(Aspergillus
nidulans) 		PF07745
(Glyco_hydro_53) 		4 GLN A 189
LEU A 234
LEU A 243
GLY A 292
 None
 0.94A 2qqcD-4bf7A:
undetectable
2qqcE-4bf7A:
undetectable		 2qqcD-4bf7A:
18.15
2qqcE-4bf7A:
10.14
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.
4btg MAJOR INNER PROTEIN
P1

(Pseudomonas
virus phi6) 		no annotation 4 ILE A 708
GLN A 695
ASP A 700
GLY A 704
 None
 0.96A 2qqcD-4btgA:
undetectable
2qqcE-4btgA:
undetectable		 2qqcD-4btgA:
11.83
2qqcE-4btgA:
5.95
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.
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
 0.78A 2qqcD-4cd8A:
undetectable
2qqcE-4cd8A:
undetectable		 2qqcD-4cd8A:
17.28
2qqcE-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.
4gb7 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Bacillus
anthracis) 		PF00144
(Beta-lactamase) 		4 GLN A 295
LEU A 208
ASP A 205
LEU A 201
 None
 0.96A 2qqcD-4gb7A:
undetectable
2qqcE-4gb7A:
undetectable		 2qqcD-4gb7A:
13.30
2qqcE-4gb7A:
13.85
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.
4is7 CASKIN-2

(Homo sapiens) 		PF00536
(SAM_1) 		4 ARG A 156
ASP A 125
LEU A 122
GLY A 121
 None
 0.85A 2qqcD-4is7A:
undetectable
2qqcE-4is7A:
undetectable		 2qqcD-4is7A:
22.47
2qqcE-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
 0.87A 2qqcD-4jb6A:
undetectable
2qqcE-4jb6A:
0.0		 2qqcD-4jb6A:
13.99
2qqcE-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.
4mf9 HEMIN DEGRADING
FACTOR

(Pseudomonas
aeruginosa) 		PF05171
(HemS) 		4 GLN A 267
LEU A 111
LEU A  67
GLY A  68
 None
 0.80A 2qqcD-4mf9A:
undetectable
2qqcE-4mf9A:
undetectable		 2qqcD-4mf9A:
13.54
2qqcE-4mf9A:
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.
4mm0 P450-LIKE
MONOOXYGENASE

(Streptomyces
griseoviridis) 		PF00067
(p450) 		4 ILE A 106
LEU A 204
LEU A 345
GLY A 346
 None
None
HEM  A 401 ( 3.9A)
HEM  A 401 (-3.6A)
 0.96A 2qqcD-4mm0A:
undetectable
2qqcE-4mm0A:
undetectable		 2qqcD-4mm0A:
15.25
2qqcE-4mm0A:
9.66
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.
4pqg GLYCOSYLTRANSFERASE
GTF1

(Streptococcus
pneumoniae) 		PF00534
(Glycos_transf_1) 		4 ILE A 276
GLN A 265
ARG A  24
ASP A 219
 None
 0.76A 2qqcD-4pqgA:
undetectable
2qqcE-4pqgA:
undetectable		 2qqcD-4pqgA:
13.74
2qqcE-4pqgA:
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.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		4 ILE A 134
LEU A  74
LEU A  94
GLY A 136
 None
 0.97A 2qqcD-4qiqA:
undetectable
2qqcE-4qiqA:
undetectable		 2qqcD-4qiqA:
14.36
2qqcE-4qiqA:
8.75
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.
4rvp SUPEROXIDE DISMUTASE

(Sedum alfredii) 		PF00080
(Sod_Cu) 		4 GLN A  35
ARG A  91
ASP A 113
GLY A  94
 None
 0.83A 2qqcD-4rvpA:
undetectable
2qqcE-4rvpA:
undetectable		 2qqcD-4rvpA:
19.75
2qqcE-4rvpA:
15.82
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.
4rvp SUPEROXIDE DISMUTASE

(Sedum alfredii) 		PF00080
(Sod_Cu) 		4 GLN A  35
ARG A  91
LEU A  59
GLY A  94
 None
 0.81A 2qqcD-4rvpA:
undetectable
2qqcE-4rvpA:
undetectable		 2qqcD-4rvpA:
19.75
2qqcE-4rvpA:
15.82
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.
4y4v CONSERVED
HYPOTHETICAL
SECRETED PROTEIN

(Helicobacter
pylori) 		PF03734
(YkuD) 		4 LEU A 184
ASP A 188
LEU A 191
GLY A 193
 None
 0.55A 2qqcD-4y4vA:
undetectable
2qqcE-4y4vA:
undetectable		 2qqcD-4y4vA:
15.91
2qqcE-4y4vA:
10.00
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.
4ydi HEAVY CHAIN OF
ANTIBODY
Z258-VRC27.01

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ARG H  66
ASP H  86
LEU H  82
GLY H  82
 None
 0.98A 2qqcD-4ydiH:
undetectable
2qqcE-4ydiH:
undetectable		 2qqcD-4ydiH:
15.79
2qqcE-4ydiH:
9.78
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.
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
 0.98A 2qqcD-4yyfA:
undetectable
2qqcE-4yyfA:
undetectable		 2qqcD-4yyfA:
13.61
2qqcE-4yyfA:
9.12
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.
4z2e DNA GYRASE SUBUNIT A

(Streptococcus
pneumoniae) 		PF00521
(DNA_topoisoIV) 		4 ILE A 464
ARG A 460
LEU A 447
ASP A 450
 None
 0.87A 2qqcD-4z2eA:
undetectable
2qqcE-4z2eA:
undetectable		 2qqcD-4z2eA:
14.15
2qqcE-4z2eA:
9.05
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.
4zke SUPERKILLER PROTEIN
7

(Saccharomyces
cerevisiae) 		PF00009
(GTP_EFTU) 		4 ILE A 402
LEU A 422
LEU A 273
GLY A 274
 ILE  A 402 ( 0.7A)
LEU  A 422 ( 0.6A)
LEU  A 273 ( 0.6A)
GLY  A 274 ( 0.0A)
 0.80A 2qqcD-4zkeA:
undetectable
2qqcE-4zkeA:
undetectable		 2qqcD-4zkeA:
12.79
2qqcE-4zkeA:
6.29
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.
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
 0.85A 2qqcD-4zm6A:
undetectable
2qqcE-4zm6A:
undetectable		 2qqcD-4zm6A:
7.43
2qqcE-4zm6A:
5.34
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.
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
 0.82A 2qqcD-5a8rA:
undetectable
2qqcE-5a8rA:
undetectable		 2qqcD-5a8rA:
12.66
2qqcE-5a8rA:
8.30
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.
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
 0.80A 2qqcD-5bu9A:
undetectable
2qqcE-5bu9A:
undetectable		 2qqcD-5bu9A:
16.32
2qqcE-5bu9A:
15.25
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.
5cy4 OLIGORIBONUCLEASE

(Acinetobacter
baumannii) 		PF00929
(RNase_T) 		4 ILE A 165
LEU A 117
ASP A 113
GLY A 107
 None
None
CA  A 202 (-2.8A)
None
 0.98A 2qqcD-5cy4A:
undetectable
2qqcE-5cy4A:
undetectable		 2qqcD-5cy4A:
18.88
2qqcE-5cy4A:
14.53
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.
5dcp FILAMIN-B

(Homo sapiens) 		PF00630
(Filamin) 		4 LEU A1891
ASP A1855
LEU A1854
GLY A1853
 None
 0.91A 2qqcD-5dcpA:
undetectable
2qqcE-5dcpA:
undetectable		 2qqcD-5dcpA:
20.44
2qqcE-5dcpA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f0o COHESIN SUBUNIT
PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P,KLTH0D07062P,C
OHESIN SUBUNIT PDS5,
KLTH0D07062P,KLTH0D0
7062P

(Lachancea
thermotolerans) 		no annotation 4 ILE A 265
LEU A 304
LEU A 260
GLY A 261
 None
 0.96A 2qqcD-5f0oA:
undetectable
2qqcE-5f0oA:
undetectable		 2qqcD-5f0oA:
7.79
2qqcE-5f0oA:
5.08
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.
5gne LEUCINE
AMINOPEPTIDASE

(Legionella
pneumophila) 		PF04389
(Peptidase_M28) 		4 ILE A 210
LEU A 248
LEU A 388
GLY A 387
 None
 0.97A 2qqcD-5gneA:
undetectable
2qqcE-5gneA:
undetectable		 2qqcD-5gneA:
14.71
2qqcE-5gneA:
11.80
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.
5gw8 HYPOTHETICAL
SECRETORY LIPASE
(FAMILY 3)

(Malassezia
globosa) 		PF01764
(Lipase_3) 		4 GLN A  45
LEU A  49
LEU A  64
GLY A  63
 None
 0.81A 2qqcD-5gw8A:
undetectable
2qqcE-5gw8A:
undetectable		 2qqcD-5gw8A:
16.08
2qqcE-5gw8A:
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.
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
 0.67A 2qqcD-5h2fE:
undetectable
2qqcE-5h2fE:
undetectable		 2qqcD-5h2fE:
23.48
2qqcE-5h2fE:
14.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h36 UNCHARACTERIZED
PROTEIN TRIC

(Rhodobacter
sphaeroides) 		no annotation 4 ILE E 146
LEU E  93
ASP E  96
GLY E 133
 None
 0.75A 2qqcD-5h36E:
undetectable
2qqcE-5h36E:
undetectable		 2qqcD-5h36E:
20.09
2qqcE-5h36E:
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.
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
 0.82A 2qqcD-5h3oA:
undetectable
2qqcE-5h3oA:
undetectable		 2qqcD-5h3oA:
8.77
2qqcE-5h3oA:
6.38
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.
5hke BILE SALT HYDROLASE

(Lactobacillus
salivarius) 		PF02275
(CBAH) 		4 ILE A 103
LEU A 125
LEU A 139
GLY A  77
 None
 0.98A 2qqcD-5hkeA:
undetectable
2qqcE-5hkeA:
undetectable		 2qqcD-5hkeA:
16.72
2qqcE-5hkeA:
9.73
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.
5hx9 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		4 GLN A 191
ARG A 254
LEU A  50
ASP A  51
 None
 0.93A 2qqcD-5hx9A:
undetectable
2qqcE-5hx9A:
undetectable		 2qqcD-5hx9A:
15.96
2qqcE-5hx9A:
12.64
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.
5iqk BETA-LACTAMASE RM3

(uncultured
bacterium) 		PF00753
(Lactamase_B) 		4 GLN A 149
LEU A 153
LEU A  80
GLY A  79
 None
 0.60A 2qqcD-5iqkA:
undetectable
2qqcE-5iqkA:
undetectable		 2qqcD-5iqkA:
18.22
2qqcE-5iqkA:
12.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j84 DIHYDROXY-ACID
DEHYDRATASE

(Rhizobium
leguminosarum) 		PF00920
(ILVD_EDD) 		4 ILE A 369
LEU A 336
LEU A 329
GLY A 328
 None
 0.97A 2qqcD-5j84A:
undetectable
2qqcE-5j84A:
undetectable		 2qqcD-5j84A:
13.60
2qqcE-5j84A:
8.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kkg ANCMT E72A

(synthetic
construct) 		PF04587
(ADP_PFK_GK) 		4 ILE A 101
LEU A 366
LEU A 432
GLY A 431
 None
None
AMP  A 501 (-3.7A)
None
 0.97A 2qqcD-5kkgA:
undetectable
2qqcE-5kkgA:
undetectable		 2qqcD-5kkgA:
12.00
2qqcE-5kkgA:
7.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.86A 2qqcD-5l3sA:
undetectable
2qqcE-5l3sA:
undetectable		 2qqcD-5l3sA:
17.18
2qqcE-5l3sA:
11.07
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.
5tv1 BETA-ARRESTIN-2

(Bos taurus) 		no annotation 4 ARG A  63
ASP A  70
LEU A  69
GLY A  65
 None
 0.77A 2qqcD-5tv1A:
undetectable
2qqcE-5tv1A:
undetectable		 2qqcD-5tv1A:
17.41
2qqcE-5tv1A:
10.34
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.
5uz9 CRISPR-ASSOCIATED
PROTEIN CSY3

(Pseudomonas
aeruginosa) 		PF09615
(Cas_Csy3) 		4 ILE C 350
LEU C 116
LEU C 119
GLY C 120
 None
 0.76A 2qqcD-5uz9C:
undetectable
2qqcE-5uz9C:
undetectable		 2qqcD-5uz9C:
16.86
2qqcE-5uz9C:
10.21
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.
5vxr MAB24 VARIABLE HEAVY
CHAIN,MAB24 VARIABLE
HEAVY CHAIN

(Mus musculus) 		no annotation 4 ILE H  67
ARG H  66
ASP H  89
LEU H  18
 None
 0.87A 2qqcD-5vxrH:
undetectable
2qqcE-5vxrH:
undetectable		 2qqcD-5vxrH:
20.91
2qqcE-5vxrH:
30.43
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.
5w21 FIBROBLAST GROWTH
FACTOR 23
KLOTHO

(Homo sapiens) 		no annotation 4 ILE A 812
ARG B 198
ASP A 756
LEU A 753
 None
 0.69A 2qqcD-5w21A:
undetectable
2qqcE-5w21A:
undetectable		 2qqcD-5w21A:
23.21
2qqcE-5w21A:
18.75
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.
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
 0.79A 2qqcD-5xnlE:
undetectable
2qqcE-5xnlE:
undetectable		 2qqcD-5xnlE:
20.00
2qqcE-5xnlE:
20.99
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.
5yll BETA-1,4-MANNANASE

(Amphibacillus
xylanus) 		no annotation 4 ARG B 162
ASP B 188
LEU B 168
GLY B 167
 None
 0.84A 2qqcD-5yllB:
undetectable
2qqcE-5yllB:
undetectable		 2qqcD-5yllB:
21.88
2qqcE-5yllB:
22.08
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.
5z9x SMALL RNA DEGRADING
NUCLEASE 1

(Arabidopsis
thaliana) 		no annotation 4 LEU A 232
ASP A 228
LEU A 225
GLY A 222
 None
MG  A 502 (-3.5A)
None
None
 0.84A 2qqcD-5z9xA:
undetectable
2qqcE-5z9xA:
undetectable		 2qqcD-5z9xA:
18.64
2qqcE-5z9xA:
18.29