SIMILAR PATTERNS OF AMINO ACIDS FOR 2QQC_I_AG2I672

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.
1b9b PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Thermotoga
maritima) 		PF00121
(TIM) 		4 ASP A 230
LEU A 210
ILE A 207
ARG A 192
 None
 0.98A 2qqcI-1b9bA:
0.0
2qqcL-1b9bA:
undetectable		 2qqcI-1b9bA:
12.55
2qqcL-1b9bA:
20.78
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.
1bg6 N-(1-D-CARBOXYLETHYL
)-L-NORVALINE
DEHYDROGENASE

(Arthrobacter
sp. 1C) 		PF02317
(Octopine_DH)
PF02558
(ApbA) 		4 LEU A 139
LEU A  80
MET A 159
GLN A 182
 None
 0.89A 2qqcI-1bg6A:
0.0
2qqcL-1bg6A:
0.0		 2qqcI-1bg6A:
11.90
2qqcL-1bg6A:
18.47
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.
1bhw XYLOSE ISOMERASE

(Actinoplanes
missouriensis) 		PF01261
(AP_endonuc_2) 		4 LEU A 134
LEU A 162
ILE A 116
MET A 123
 None
 0.98A 2qqcI-1bhwA:
0.0
2qqcL-1bhwA:
0.0		 2qqcI-1bhwA:
10.34
2qqcL-1bhwA:
13.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e3h GUANOSINE
PENTAPHOSPHATE
SYNTHETASE

(Streptomyces
antibioticus) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03726
(PNPase) 		4 ASP A 518
LEU A 492
ILE A 334
ARG A 330
 None
 1.05A 2qqcI-1e3hA:
undetectable
2qqcL-1e3hA:
0.0		 2qqcI-1e3hA:
6.35
2qqcL-1e3hA:
12.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ecm ENDO-OXABICYCLIC
TRANSITION STATE
ANALOGUE

(Escherichia
coli) 		PF01817
(CM_2) 		4 LEU A  79
ASP A  83
LEU A  86
ARG A  29
 None
 0.94A 2qqcI-1ecmA:
undetectable
2qqcL-1ecmA:
undetectable		 2qqcI-1ecmA:
18.52
2qqcL-1ecmA:
19.51
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.
1fhu O-SUCCINYLBENZOATE
SYNTHASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		4 LEU A 316
LEU A 319
ILE A  45
GLN A 299
 None
 1.04A 2qqcI-1fhuA:
0.0
2qqcL-1fhuA:
0.0		 2qqcI-1fhuA:
11.44
2qqcL-1fhuA:
15.58
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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		4 LEU 1 343
ASP 1 252
LEU 1 188
ARG 1 248
 None
 0.68A 2qqcI-1gt91:
0.0
2qqcL-1gt91:
0.0		 2qqcI-1gt91:
9.86
2qqcL-1gt91:
13.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hna GLUTATHIONE
S-TRANSFERASE

(Homo sapiens) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 LEU A  20
LEU A  76
ILE A  69
MET A   2
 None
 0.99A 2qqcI-1hnaA:
undetectable
2qqcL-1hnaA:
0.0		 2qqcI-1hnaA:
17.53
2qqcL-1hnaA:
20.28
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 LEU A  35
LEU A  45
ILE A  52
MET A  95
 None
None
None
NAG  A 461 (-3.7A)
 0.98A 2qqcI-1ituA:
0.0
2qqcL-1ituA:
0.0		 2qqcI-1ituA:
10.03
2qqcL-1ituA:
14.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lc7 L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE

(Salmonella
enterica) 		PF00155
(Aminotran_1_2) 		4 LEU A  27
ASP A  28
ILE A  33
GLN A 345
 None
 1.05A 2qqcI-1lc7A:
undetectable
2qqcL-1lc7A:
0.0		 2qqcI-1lc7A:
11.01
2qqcL-1lc7A:
12.43
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.
1nnh ASPARAGINYL-TRNA
SYNTHETASE-RELATED
PEPTIDE

(Pyrococcus
furiosus) 		PF00152
(tRNA-synt_2) 		4 LEU A 255
LEU A 247
ILE A  45
GLN A  81
 None
 0.87A 2qqcI-1nnhA:
undetectable
2qqcL-1nnhA:
0.2		 2qqcI-1nnhA:
12.85
2qqcL-1nnhA:
16.96
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.
1ors 33H1 FAB HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP B  90
LEU B  18
ILE B  68
ARG B  67
 None
 0.97A 2qqcI-1orsB:
0.0
2qqcL-1orsB:
undetectable		 2qqcI-1orsB:
11.06
2qqcL-1orsB:
19.52
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT
QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
9 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF08992
(QH-AmDH_gamma)
no annotation 		4 LEU C  51
ASP C  39
LEU B 327
ARG B   9
 None
None
TRW  C  43 ( 4.2A)
None
 0.95A 2qqcI-1pbyC:
undetectable
2qqcL-1pbyC:
undetectable		 2qqcI-1pbyC:
22.67
2qqcL-1pbyC:
22.77
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.
1qfw ANTIBODY (ANTI ALPHA
SUBUNIT) (HEAVY
CHAIN)
ANTIBODY (ANTI ALPHA
SUBUNIT) (LIGHT
CHAIN)

(Mus musculus) 		PF07686
(V-set) 		4 LEU L  50
ASP H 105
GLN L  38
ARG H  98
 None
 0.87A 2qqcI-1qfwL:
undetectable
2qqcL-1qfwL:
undetectable		 2qqcI-1qfwL:
13.16
2qqcL-1qfwL:
20.93
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.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		4 LEU A 728
ILE A 748
MET A 741
GLN A 742
 None
 0.95A 2qqcI-1qu2A:
undetectable
2qqcL-1qu2A:
undetectable		 2qqcI-1qu2A:
5.76
2qqcL-1qu2A:
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.
1r30 BIOTIN SYNTHASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		4 LEU A 302
ASP A 301
GLN A 313
ARG A 265
 None
 1.04A 2qqcI-1r30A:
undetectable
2qqcL-1r30A:
undetectable		 2qqcI-1r30A:
9.88
2qqcL-1r30A:
14.01
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.
1s5t DIHYDRODIPICOLINATE
SYNTHASE

(Escherichia
coli) 		PF00701
(DHDPS) 		4 LEU A 236
ASP A 188
LEU A 243
MET A 214
 None
 1.05A 2qqcI-1s5tA:
undetectable
2qqcL-1s5tA:
undetectable		 2qqcI-1s5tA:
14.22
2qqcL-1s5tA:
16.37
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.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		4 LEU A 532
ASP A 441
LEU A 377
ARG A 437
 None
 0.77A 2qqcI-1t1eA:
undetectable
2qqcL-1t1eA:
undetectable		 2qqcI-1t1eA:
7.32
2qqcL-1t1eA:
9.89
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.
1td2 PYRIDOXAMINE KINASE

(Escherichia
coli) 		PF08543
(Phos_pyr_kin) 		4 LEU A  73
LEU A  36
ILE A  93
GLN A  99
 None
 1.06A 2qqcI-1td2A:
undetectable
2qqcL-1td2A:
undetectable		 2qqcI-1td2A:
10.60
2qqcL-1td2A:
17.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tlt PUTATIVE
OXIDOREDUCTASE
(VIRULENCE FACTOR
MVIM HOMOLOG)

(Escherichia
coli) 		PF01408
(GFO_IDH_MocA) 		4 LEU A 168
ASP A 172
LEU A 175
ARG A 126
 None
 0.97A 2qqcI-1tltA:
undetectable
2qqcL-1tltA:
undetectable		 2qqcI-1tltA:
13.08
2qqcL-1tltA:
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.
1u2h AORTIC
PREFERENTIALLY
EXPRESSED PROTEIN 1

(Homo sapiens) 		PF07679
(I-set) 		4 LEU A 108
ASP A  87
GLN A  29
ARG A  65
 None
 1.05A 2qqcI-1u2hA:
undetectable
2qqcL-1u2hA:
undetectable		 2qqcI-1u2hA:
17.17
2qqcL-1u2hA:
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.
1u3d CRYPTOCHROME 1
APOPROTEIN

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 LEU A  67
ASP A  71
LEU A  74
ILE A  82
 None
 0.85A 2qqcI-1u3dA:
undetectable
2qqcL-1u3dA:
undetectable		 2qqcI-1u3dA:
8.57
2qqcL-1u3dA:
12.32
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.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		4 LEU A  94
ASP A  96
LEU A  97
ARG A 271
 None
SAM  A3142 (-3.5A)
None
SAM  A3142 (-3.2A)
 0.97A 2qqcI-1wg8A:
undetectable
2qqcL-1wg8A:
undetectable		 2qqcI-1wg8A:
13.25
2qqcL-1wg8A:
18.79
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.
1yac YCAC GENE PRODUCT

(Escherichia
coli) 		PF00857
(Isochorismatase) 		4 LEU A  24
ASP A  19
ILE A  88
ARG A  84
 None
 0.98A 2qqcI-1yacA:
undetectable
2qqcL-1yacA:
undetectable		 2qqcI-1yacA:
16.67
2qqcL-1yacA:
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.
1yp0 NUCLEAR RECEPTOR
SUBFAMILY 5, GROUP
A, MEMBER 1

(Mus musculus) 		PF00104
(Hormone_recep) 		4 LEU A 307
ASP A 310
ILE A 245
ARG A 314
 PEF  A 201 (-4.0A)
None
None
None
 1.07A 2qqcI-1yp0A:
undetectable
2qqcL-1yp0A:
undetectable		 2qqcI-1yp0A:
11.06
2qqcL-1yp0A:
23.71
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.
1zpu IRON TRANSPORT
MULTICOPPER OXIDASE
FET3

(Saccharomyces
cerevisiae) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 ASP A 320
LEU A 318
MET A 455
ARG A 427
 None
NAG  A2005 (-4.7A)
None
None
 1.00A 2qqcI-1zpuA:
undetectable
2qqcL-1zpuA:
undetectable		 2qqcI-1zpuA:
6.58
2qqcL-1zpuA:
10.67
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.
2d7u ADENYLOSUCCINATE
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00709
(Adenylsucc_synt) 		4 LEU A 172
ASP A  27
ILE A 218
ARG A 336
 None
 1.04A 2qqcI-2d7uA:
undetectable
2qqcL-2d7uA:
undetectable		 2qqcI-2d7uA:
10.71
2qqcL-2d7uA:
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.
2g42 HYPOTHETICAL PROTEIN
TM_0693

(Thermotoga
maritima) 		no annotation 4 LEU A  52
ASP A  48
LEU A  45
ARG A  29
 None
 0.80A 2qqcI-2g42A:
undetectable
2qqcL-2g42A:
undetectable		 2qqcI-2g42A:
24.00
2qqcL-2g42A:
20.51
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.
2gaf POLY(A) POLYMERASE
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03296
(Pox_polyA_pol)
PF12629
(Pox_polyA_pol_C)
PF12630
(Pox_polyA_pol_N) 		4 LEU D 373
ASP D 369
LEU D 366
ILE D 343
 None
 0.97A 2qqcI-2gafD:
undetectable
2qqcL-2gafD:
undetectable		 2qqcI-2gafD:
9.87
2qqcL-2gafD:
12.68
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.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		4 LEU A 467
ASP A 466
LEU A 289
ARG A 297
 None
 0.96A 2qqcI-2jgpA:
undetectable
2qqcL-2jgpA:
1.1		 2qqcI-2jgpA:
8.53
2qqcL-2jgpA:
11.58
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.
2k6b PROGRAMMED CELL
DEATH PROTEIN 5

(Homo sapiens) 		PF01984
(dsDNA_bind) 		4 LEU A  83
LEU A  48
ILE A  75
GLN A  82
 None
 0.99A 2qqcI-2k6bA:
undetectable
2qqcL-2k6bA:
undetectable		 2qqcI-2k6bA:
17.82
2qqcL-2k6bA:
20.63
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.
2kc3 APOLIPOPROTEIN E

(Homo sapiens) 		PF01442
(Apolipoprotein) 		4 LEU A 155
ASP A 151
LEU A 148
GLN A 101
 None
 0.92A 2qqcI-2kc3A:
undetectable
2qqcL-2kc3A:
undetectable		 2qqcI-2kc3A:
14.92
2qqcL-2kc3A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nyf NOSTOC PUNCTIFORME
PHENYLALANINE
AMMONIA LYASE

(Nostoc
punctiforme) 		PF00221
(Lyase_aromatic) 		4 LEU A 242
LEU A 480
ILE A 542
GLN A 473
 None
 1.07A 2qqcI-2nyfA:
undetectable
2qqcL-2nyfA:
undetectable		 2qqcI-2nyfA:
6.78
2qqcL-2nyfA:
12.63
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 LEU A 199
ASP A 145
ILE A 333
ARG A 277
 None
 0.97A 2qqcI-2p3xA:
undetectable
2qqcL-2p3xA:
undetectable		 2qqcI-2p3xA:
9.23
2qqcL-2p3xA:
14.24
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.
2pbg 6-PHOSPHO-BETA-D-GAL
ACTOSIDASE

(Lactococcus
lactis) 		PF00232
(Glyco_hydro_1) 		4 LEU A 284
ASP A 280
LEU A 276
ARG A 132
 None
 0.67A 2qqcI-2pbgA:
undetectable
2qqcL-2pbgA:
undetectable		 2qqcI-2pbgA:
8.37
2qqcL-2pbgA:
15.97
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.
2rdx MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
PUTATIVE

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LEU A 322
ASP A 321
LEU A 342
ARG A 137
 None
 1.07A 2qqcI-2rdxA:
undetectable
2qqcL-2rdxA:
undetectable		 2qqcI-2rdxA:
11.15
2qqcL-2rdxA:
15.18
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.
2y4f PEROXIDASE YCDB

(Escherichia
coli) 		PF04261
(Dyp_perox) 		5 LEU A  39
LEU A 331
ILE A 179
MET A  37
GLN A 145
 None
HEM  A 389 (-4.2A)
None
None
None
 1.48A 2qqcI-2y4fA:
undetectable
2qqcL-2y4fA:
undetectable		 2qqcI-2y4fA:
9.30
2qqcL-2y4fA:
13.38
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.
2ynk WZI

(Escherichia
coli) 		PF14052
(Caps_assemb_Wzi) 		4 LEU A  40
ASP A  36
LEU A  33
ARG A 404
 None
 0.81A 2qqcI-2ynkA:
undetectable
2qqcL-2ynkA:
undetectable		 2qqcI-2ynkA:
7.69
2qqcL-2ynkA:
14.32
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.
3ego PROBABLE
2-DEHYDROPANTOATE
2-REDUCTASE

(Bacillus
subtilis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		4 LEU A  78
LEU A  85
ILE A 115
GLN A  97
 None
 1.02A 2qqcI-3egoA:
undetectable
2qqcL-3egoA:
undetectable		 2qqcI-3egoA:
11.40
2qqcL-3egoA:
17.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		4 LEU A 312
LEU A 414
ILE A 478
MET A 547
 None
 1.05A 2qqcI-3gf7A:
undetectable
2qqcL-3gf7A:
undetectable		 2qqcI-3gf7A:
7.13
2qqcL-3gf7A:
12.24
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.
3hb7 ISOCHORISMATASE
HYDROLASE

(Alkaliphilus
metalliredigens) 		PF00857
(Isochorismatase) 		4 LEU A  12
ASP A  14
GLN A  55
ARG A  68
 None
 0.91A 2qqcI-3hb7A:
undetectable
2qqcL-3hb7A:
undetectable		 2qqcI-3hb7A:
12.18
2qqcL-3hb7A:
24.32
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.
3hur ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 LEU A  81
ASP A  61
GLN A  55
ARG A  26
 None
 1.00A 2qqcI-3hurA:
undetectable
2qqcL-3hurA:
undetectable		 2qqcI-3hurA:
10.83
2qqcL-3hurA:
15.14
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.
3icv LIPASE B

(Moesziomyces
antarcticus) 		no annotation 4 LEU A  93
LEU A 136
ILE A  87
GLN A  92
 None
 1.05A 2qqcI-3icvA:
undetectable
2qqcL-3icvA:
undetectable		 2qqcI-3icvA:
14.56
2qqcL-3icvA:
17.25
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.
3js3 3-DEHYDROQUINATE
DEHYDRATASE

(Clostridioides
difficile) 		PF01487
(DHquinase_I) 		5 ASP A 112
LEU A 113
ILE A  76
GLN A   6
ARG A  70
 None
 1.38A 2qqcI-3js3A:
undetectable
2qqcL-3js3A:
undetectable		 2qqcI-3js3A:
11.28
2qqcL-3js3A:
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.
3kh8 MAOC-LIKE
DEHYDRATASE

(Phytophthora
capsici) 		PF01575
(MaoC_dehydratas)
PF13452
(MaoC_dehydrat_N) 		4 LEU A 218
ASP A 194
ILE A  74
GLN A  94
 None
 1.04A 2qqcI-3kh8A:
undetectable
2qqcL-3kh8A:
undetectable		 2qqcI-3kh8A:
10.65
2qqcL-3kh8A:
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.
3lcv SISOMICIN-GENTAMICIN
RESISTANCE METHYLASE
SGM

(Micromonospora
zionensis) 		PF07091
(FmrO) 		4 ASP B 182
LEU B 183
ILE B  60
ARG B  33
 SAM  B 301 (-3.1A)
SAM  B 301 (-4.0A)
SAM  B 301 (-4.2A)
SAM  B 301 ( 4.7A)
 1.07A 2qqcI-3lcvB:
undetectable
2qqcL-3lcvB:
undetectable		 2qqcI-3lcvB:
11.07
2qqcL-3lcvB:
17.79
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.
3lk6 LIPOPROTEIN YBBD

(Bacillus
subtilis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		4 LEU A 562
LEU A 559
ILE A 511
GLN A 464
 None
 1.00A 2qqcI-3lk6A:
undetectable
2qqcL-3lk6A:
undetectable		 2qqcI-3lk6A:
5.84
2qqcL-3lk6A:
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.
3n6y IMMUNOGLOBULIN-LIKE
PROTEIN

(Pseudomonas
aeruginosa) 		PF12975
(DUF3859) 		4 LEU A  91
LEU A 150
ILE A  33
MET A 124
 None
 1.04A 2qqcI-3n6yA:
undetectable
2qqcL-3n6yA:
undetectable		 2qqcI-3n6yA:
17.29
2qqcL-3n6yA:
23.24
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.
3na0 CHOLESTEROL
SIDE-CHAIN CLEAVAGE
ENZYME,
MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		4 LEU A 202
ASP A 201
GLN A 336
ARG A 185
 None
 1.01A 2qqcI-3na0A:
undetectable
2qqcL-3na0A:
undetectable		 2qqcI-3na0A:
7.53
2qqcL-3na0A:
12.95
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.
3npk GERANYLTRANSTRANSFER
ASE

(Campylobacter
jejuni) 		PF00348
(polyprenyl_synt) 		4 LEU A   3
LEU A  61
ILE A 187
GLN A  50
 None
 0.93A 2qqcI-3npkA:
undetectable
2qqcL-3npkA:
undetectable		 2qqcI-3npkA:
12.14
2qqcL-3npkA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ozx RNASE L INHIBITOR

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		4 LEU A 520
ASP A 524
LEU A 549
ARG A 566
 None
 1.05A 2qqcI-3ozxA:
undetectable
2qqcL-3ozxA:
undetectable		 2qqcI-3ozxA:
7.92
2qqcL-3ozxA:
13.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p8t ASNS-LIKE
ASPARAGINYL-TRNA
SYNTHETASE RELATED
PROTEIN

(Pyrococcus
abyssi) 		PF00152
(tRNA-synt_2) 		4 LEU A 255
LEU A 247
ILE A  45
GLN A  81
 None
 0.91A 2qqcI-3p8tA:
undetectable
2qqcL-3p8tA:
undetectable		 2qqcI-3p8tA:
11.34
2qqcL-3p8tA:
17.25
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.
3pb0 DIHYDRODIPICOLINATE
SYNTHASE

(Thermotoga
maritima) 		PF00701
(DHDPS) 		4 LEU A 239
ASP A 191
MET A 217
GLN A 216
 None
 1.00A 2qqcI-3pb0A:
undetectable
2qqcL-3pb0A:
undetectable		 2qqcI-3pb0A:
11.45
2qqcL-3pb0A:
20.07
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.
3pb0 DIHYDRODIPICOLINATE
SYNTHASE

(Thermotoga
maritima) 		PF00701
(DHDPS) 		4 LEU A 239
LEU A 246
MET A 217
GLN A 216
 None
 0.77A 2qqcI-3pb0A:
undetectable
2qqcL-3pb0A:
undetectable		 2qqcI-3pb0A:
11.45
2qqcL-3pb0A:
20.07
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.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 LEU A 311
LEU A 358
ILE A 372
MET A 339
 None
 1.00A 2qqcI-3pfeA:
undetectable
2qqcL-3pfeA:
undetectable		 2qqcI-3pfeA:
7.25
2qqcL-3pfeA:
11.86
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.
3pzs PYRIDOXAMINE KINASE

(Yersinia pestis) 		PF08543
(Phos_pyr_kin) 		4 LEU A  72
LEU A  35
ILE A  92
GLN A  98
 None
 1.05A 2qqcI-3pzsA:
undetectable
2qqcL-3pzsA:
undetectable		 2qqcI-3pzsA:
11.31
2qqcL-3pzsA:
16.26
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.
3qmw THIOESTERASE

(Streptomyces
coelicolor) 		PF00975
(Thioesterase) 		4 ASP A 186
LEU A 183
MET A 108
ARG A  69
 None
 1.03A 2qqcI-3qmwA:
undetectable
2qqcL-3qmwA:
undetectable		 2qqcI-3qmwA:
10.77
2qqcL-3qmwA:
22.03
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.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		4 ASP A 462
LEU A 458
ILE A 467
ARG A   8
 None
 0.98A 2qqcI-3qp9A:
undetectable
2qqcL-3qp9A:
undetectable		 2qqcI-3qp9A:
6.34
2qqcL-3qp9A:
11.72
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.
3t6q CD180 ANTIGEN

(Mus musculus) 		PF13855
(LRR_8) 		4 LEU A  82
LEU A  65
ILE A  92
GLN A 100
 None
 1.02A 2qqcI-3t6qA:
undetectable
2qqcL-3t6qA:
undetectable		 2qqcI-3t6qA:
6.44
2qqcL-3t6qA:
10.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tb2 1-CYS PEROXIREDOXIN

(Plasmodium
yoelii) 		PF00578
(AhpC-TSA)
PF10417
(1-cysPrx_C) 		4 LEU A 161
LEU A  68
ILE A  29
GLN A 165
 None
 0.95A 2qqcI-3tb2A:
undetectable
2qqcL-3tb2A:
undetectable		 2qqcI-3tb2A:
13.74
2qqcL-3tb2A:
17.60
Potential target for repurposing, i.e. matched protein structure has less than 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 LEU A 179
ASP A 183
LEU A 186
GLN A 139
 None
 0.93A 2qqcI-3uufA:
undetectable
2qqcL-3uufA:
undetectable		 2qqcI-3uufA:
12.74
2qqcL-3uufA:
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.
3w36 NAPH1

(Streptomyces
sp. CNQ525) 		no annotation 4 LEU A 157
LEU A 164
ILE A 136
GLN A 142
 None
 0.88A 2qqcI-3w36A:
undetectable
2qqcL-3w36A:
undetectable		 2qqcI-3w36A:
8.27
2qqcL-3w36A:
11.63
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.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		4 LEU A  46
LEU A 169
ILE A 367
GLN A  50
 None
 0.99A 2qqcI-3w6qA:
undetectable
2qqcL-3w6qA:
undetectable		 2qqcI-3w6qA:
8.94
2qqcL-3w6qA:
11.30
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.
3zpc RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

(Acinetobacter
baumannii) 		PF00383
(dCMP_cyt_deam_1)
PF01872
(RibD_C) 		4 LEU A 274
LEU A 295
ILE A 198
MET A 251
 None
 1.05A 2qqcI-3zpcA:
undetectable
2qqcL-3zpcA:
undetectable		 2qqcI-3zpcA:
9.52
2qqcL-3zpcA:
14.05
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.
4b2n 70 KDA PROTEIN

(Xanthomonas sp.
35Y) 		no annotation 4 LEU A 240
ILE A 174
MET A 111
GLN A 109
 None
 1.07A 2qqcI-4b2nA:
undetectable
2qqcL-4b2nA:
undetectable		 2qqcI-4b2nA:
5.44
2qqcL-4b2nA:
11.54
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.
4buj ANTIVIRAL PROTEIN
SKI8

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 LEU C 343
ASP C 385
LEU C 384
ILE C  19
 None
 1.01A 2qqcI-4bujC:
undetectable
2qqcL-4bujC:
undetectable		 2qqcI-4bujC:
9.77
2qqcL-4bujC:
14.21
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.
4gb7 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Bacillus
anthracis) 		PF00144
(Beta-lactamase) 		4 LEU A 208
ASP A 205
LEU A 201
GLN A 295
 None
 0.95A 2qqcI-4gb7A:
undetectable
2qqcL-4gb7A:
undetectable		 2qqcI-4gb7A:
13.85
2qqcL-4gb7A:
13.30
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.
4kvl FATTY ACID
ALPHA-OXIDASE

(Oryza sativa) 		PF03098
(An_peroxidase) 		4 LEU A 530
ASP A 528
LEU A 527
ILE A 519
 None
 1.08A 2qqcI-4kvlA:
undetectable
2qqcL-4kvlA:
undetectable		 2qqcI-4kvlA:
6.61
2qqcL-4kvlA:
11.33
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.
4n81 INOSITOL
MONOPHOSPHATASE

(Zymomonas
mobilis) 		PF00459
(Inositol_P) 		4 LEU A  12
ASP A   9
LEU A 115
ARG A  81
 None
 1.05A 2qqcI-4n81A:
undetectable
2qqcL-4n81A:
undetectable		 2qqcI-4n81A:
12.24
2qqcL-4n81A:
20.42
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		4 LEU A 235
ASP A 187
LEU A 242
MET A 213
 None
 0.95A 2qqcI-4nq1A:
undetectable
2qqcL-4nq1A:
undetectable		 2qqcI-4nq1A:
12.59
2qqcL-4nq1A:
20.00
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.
4nu2 ANTIFREEZE PROTEIN

(Flavobacterium
frigoris) 		PF11999
(DUF3494) 		4 LEU A  67
LEU A  64
ILE A 195
ARG A 149
 None
 1.07A 2qqcI-4nu2A:
undetectable
2qqcL-4nu2A:
undetectable		 2qqcI-4nu2A:
18.24
2qqcL-4nu2A:
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.
4pqg GLYCOSYLTRANSFERASE
GTF1

(Streptococcus
pneumoniae) 		PF00534
(Glycos_transf_1) 		4 ASP A 219
ILE A 276
GLN A 265
ARG A  24
 None
 0.72A 2qqcI-4pqgA:
undetectable
2qqcL-4pqgA:
undetectable		 2qqcI-4pqgA:
7.85
2qqcL-4pqgA:
13.74
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.
4trq NUCLEAR MRNA EXPORT
PROTEIN THP1

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		4 LEU B 407
LEU B 372
ILE B 311
MET B 340
 None
 1.02A 2qqcI-4trqB:
undetectable
2qqcL-4trqB:
undetectable		 2qqcI-4trqB:
9.93
2qqcL-4trqB:
16.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wh0 PUTATIVE HYDROLASE

(Pseudomonas
aeruginosa) 		PF00857
(Isochorismatase) 		4 LEU A  24
ASP A  19
ILE A  88
ARG A  84
 None
 1.03A 2qqcI-4wh0A:
undetectable
2qqcL-4wh0A:
undetectable		 2qqcI-4wh0A:
11.94
2qqcL-4wh0A:
19.51
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.
4y61 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE DELTA

(Mus musculus) 		PF00041
(fn3)
PF07679
(I-set)
PF13927
(Ig_3) 		4 LEU A 120
ASP A  99
GLN A  40
ARG A  75
 None
 1.03A 2qqcI-4y61A:
undetectable
2qqcL-4y61A:
undetectable		 2qqcI-4y61A:
8.83
2qqcL-4y61A:
15.31
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.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		4 LEU A  70
ASP A 339
LEU A 308
ARG A 296
 None
 0.87A 2qqcI-4yyfA:
undetectable
2qqcL-4yyfA:
undetectable		 2qqcI-4yyfA:
9.12
2qqcL-4yyfA:
13.61
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.
4z2e DNA GYRASE SUBUNIT A

(Streptococcus
pneumoniae) 		PF00521
(DNA_topoisoIV) 		4 LEU A 447
ASP A 450
ILE A 464
ARG A 460
 None
 0.87A 2qqcI-4z2eA:
undetectable
2qqcL-4z2eA:
undetectable		 2qqcI-4z2eA:
9.05
2qqcL-4z2eA:
14.15
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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		4 ASP A 263
LEU A 306
ILE A  91
ARG A  86
 None
 1.01A 2qqcI-4zo3A:
undetectable
2qqcL-4zo3A:
undetectable		 2qqcI-4zo3A:
11.24
2qqcL-4zo3A:
17.95
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.
4zr5 NEPRILYSIN

(Oryctolagus
cuniculus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 LEU A 688
LEU A 675
MET A  73
GLN A 692
 None
 1.06A 2qqcI-4zr5A:
undetectable
2qqcL-4zr5A:
undetectable		 2qqcI-4zr5A:
5.24
2qqcL-4zr5A:
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.
5d1v GLOBIN

(Chloroflexus
aurantiacus) 		PF01152
(Bac_globin) 		4 LEU A  52
LEU A  96
ILE A  22
GLN A  48
 None
 0.89A 2qqcI-5d1vA:
undetectable
2qqcL-5d1vA:
undetectable		 2qqcI-5d1vA:
18.10
2qqcL-5d1vA:
19.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e9u GLYCOSYLTRANSFERASE
GTF1

(Streptococcus
gordonii) 		PF00534
(Glycos_transf_1) 		4 ASP A 219
ILE A 276
GLN A 265
ARG A  24
 None
 0.95A 2qqcI-5e9uA:
undetectable
2qqcL-5e9uA:
undetectable		 2qqcI-5e9uA:
7.36
2qqcL-5e9uA:
11.75
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.
5f9w HEAVY CHAIN OF
CH235-LINEAGE
ANTIBODY CH235

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ASP B  86
LEU B  82
ILE B  67
ARG B  66
 None
 1.04A 2qqcI-5f9wB:
undetectable
2qqcL-5f9wB:
undetectable		 2qqcI-5f9wB:
10.67
2qqcL-5f9wB:
17.59
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.
5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF09334
(tRNA-synt_1g) 		4 LEU A 681
ASP A 678
LEU A 674
ARG A 737
 None
 0.78A 2qqcI-5gl7A:
undetectable
2qqcL-5gl7A:
undetectable		 2qqcI-5gl7A:
8.50
2qqcL-5gl7A:
11.31
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.
5h3o CYCLIC
NUCLEOTIDE-GATED
CATION CHANNEL

(Caenorhabditis
elegans) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF16526
(CLZ) 		4 LEU A 216
ASP A 212
LEU A 209
ARG A 280
 None
 0.83A 2qqcI-5h3oA:
undetectable
2qqcL-5h3oA:
undetectable		 2qqcI-5h3oA:
6.38
2qqcL-5h3oA:
8.77
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.
5hx9 BETA-LACTAMASE

(Burkholderia
vietnamiensis) 		PF13354
(Beta-lactamase2) 		4 LEU A  50
ASP A  51
GLN A 191
ARG A 254
 None
 0.97A 2qqcI-5hx9A:
undetectable
2qqcL-5hx9A:
undetectable		 2qqcI-5hx9A:
12.64
2qqcL-5hx9A:
15.96
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.
5j4a TRNA NUCLEASE CDIA

(Burkholderia
pseudomallei) 		no annotation 4 LEU A 272
LEU A 265
ILE A 257
MET A 245
 None
 1.03A 2qqcI-5j4aA:
undetectable
2qqcL-5j4aA:
undetectable		 2qqcI-5j4aA:
18.01
2qqcL-5j4aA:
20.71
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.
5juf TRANSCRIPTIONAL
REGULATOR

(Streptococcus
thermophilus) 		PF01381
(HTH_3) 		4 LEU A 210
ASP A 209
LEU A 163
ILE A 187
 None
 0.99A 2qqcI-5jufA:
undetectable
2qqcL-5jufA:
undetectable		 2qqcI-5jufA:
9.35
2qqcL-5jufA:
13.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k13 RETINOIC ACID
RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU A 224
LEU A 231
ILE A 273
GLN A 296
 None
6Q7  A 501 ( 4.3A)
6Q7  A 501 ( 3.9A)
None
 1.06A 2qqcI-5k13A:
undetectable
2qqcL-5k13A:
undetectable		 2qqcI-5k13A:
14.42
2qqcL-5k13A:
15.73
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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		4 LEU A1254
ASP A1343
ILE A1337
GLN A1258
 None
 1.03A 2qqcI-5n8oA:
undetectable
2qqcL-5n8oA:
undetectable		 2qqcI-5n8oA:
2.35
2qqcL-5n8oA:
4.67
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.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		4 LEU A 645
ASP A 644
ILE A 513
ARG A 516
 None
 1.01A 2qqcI-5tusA:
undetectable
2qqcL-5tusA:
undetectable		 2qqcI-5tusA:
5.69
2qqcL-5tusA:
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.
5v5s OUTER MEMBRANE
PROTEIN TOLC

(Escherichia
coli) 		PF02321
(OEP) 		4 LEU A 415
ASP A 411
LEU A 407
ILE A 400
 None
 1.02A 2qqcI-5v5sA:
undetectable
2qqcL-5v5sA:
undetectable		 2qqcI-5v5sA:
10.91
2qqcL-5v5sA:
14.71
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.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 4 ASP A 270
LEU A 269
ILE A 276
ARG A 260
 None
 0.83A 2qqcI-5veuA:
undetectable
2qqcL-5veuA:
undetectable		 2qqcI-5veuA:
7.61
2qqcL-5veuA:
12.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5vxr MAB24 VARIABLE HEAVY
CHAIN,MAB24 VARIABLE
HEAVY CHAIN

(Mus musculus) 		no annotation 4 ASP H  89
LEU H  18
ILE H  67
ARG H  66
 None
 0.86A 2qqcI-5vxrH:
undetectable
2qqcL-5vxrH:
undetectable		 2qqcI-5vxrH:
30.43
2qqcL-5vxrH:
20.91
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.
5w21 FIBROBLAST GROWTH
FACTOR 23
KLOTHO

(Homo sapiens) 		no annotation 4 ASP A 756
LEU A 753
ILE A 812
ARG B 198
 None
 0.71A 2qqcI-5w21A:
undetectable
2qqcL-5w21A:
undetectable		 2qqcI-5w21A:
18.75
2qqcL-5w21A:
23.21
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.
5xjn CYTOCHROME P450

(Corynebacterium
glutamicum) 		PF00067
(p450) 		4 LEU A  44
ILE A  56
MET A  51
ARG A  55
 None
 1.08A 2qqcI-5xjnA:
undetectable
2qqcL-5xjnA:
undetectable		 2qqcI-5xjnA:
9.07
2qqcL-5xjnA:
13.97
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.
5yax SCFV1 ANTIBODY

(Homo sapiens) 		no annotation 4 ASP A  98
LEU A  19
ILE A  76
ARG A  75
 None
 1.03A 2qqcI-5yaxA:
undetectable
2qqcL-5yaxA:
undetectable		 2qqcI-5yaxA:
12.95
2qqcL-5yaxA:
16.12
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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT SWP1

(Saccharomyces
cerevisiae) 		no annotation 4 ASP C 119
LEU C 123
ILE C 133
MET C  94
 None
 1.05A 2qqcI-6c26C:
undetectable
2qqcL-6c26C:
undetectable		 2qqcI-6c26C:
24.00
2qqcL-6c26C:
23.08
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 4 LEU A 802
ASP A 827
GLN A 800
ARG A 921
 None
 1.05A 2qqcI-6cipA:
undetectable
2qqcL-6cipA:
undetectable		 2qqcI-6cipA:
18.75
2qqcL-6cipA:
22.73
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.
6fd2 PUTATIVE APRAMYCIN
BIOSYNTHETIC
OXIDOREDUCTASE 4

(Streptoalloteichus
tenebrarius) 		no annotation 4 LEU B  96
ASP B  92
LEU B  89
ARG B  24
 None
 1.02A 2qqcI-6fd2B:
undetectable
2qqcL-6fd2B:
undetectable		 2qqcI-6fd2B:
15.58
2qqcL-6fd2B:
22.41