SIMILAR PATTERNS OF AMINO ACIDS FOR 2QQC_A_AG2A671_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.
1b9b PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Thermotoga
maritima) 		PF00121
(TIM) 		4 ILE A 207
ARG A 192
ASP A 230
LEU A 210
 None
 0.97A 2qqcB-1b9bA:
0.0
2qqcC-1b9bA:
undetectable		 2qqcB-1b9bA:
20.78
2qqcC-1b9bA:
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.
1bg6 N-(1-D-CARBOXYLETHYL
)-L-NORVALINE
DEHYDROGENASE

(Arthrobacter
sp. 1C) 		PF02317
(Octopine_DH)
PF02558
(ApbA) 		4 MET A 159
GLN A 182
LEU A 139
LEU A  80
 None
 0.87A 2qqcB-1bg6A:
0.0
2qqcC-1bg6A:
0.0		 2qqcB-1bg6A:
18.47
2qqcC-1bg6A:
11.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bhw XYLOSE ISOMERASE

(Actinoplanes
missouriensis) 		PF01261
(AP_endonuc_2) 		4 ILE A 116
MET A 123
LEU A 134
LEU A 162
 None
 1.01A 2qqcB-1bhwA:
0.0
2qqcC-1bhwA:
0.0		 2qqcB-1bhwA:
13.60
2qqcC-1bhwA:
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.
1e3h GUANOSINE
PENTAPHOSPHATE
SYNTHETASE

(Streptomyces
antibioticus) 		PF00013
(KH_1)
PF01138
(RNase_PH)
PF03726
(PNPase) 		4 ILE A 334
ARG A 330
ASP A 518
LEU A 492
 None
 1.03A 2qqcB-1e3hA:
0.0
2qqcC-1e3hA:
undetectable		 2qqcB-1e3hA:
12.55
2qqcC-1e3hA:
6.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ecm ENDO-OXABICYCLIC
TRANSITION STATE
ANALOGUE

(Escherichia
coli) 		PF01817
(CM_2) 		4 ARG A  29
LEU A  79
ASP A  83
LEU A  86
 None
 0.95A 2qqcB-1ecmA:
undetectable
2qqcC-1ecmA:
undetectable		 2qqcB-1ecmA:
19.51
2qqcC-1ecmA:
18.52
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.
1fhu O-SUCCINYLBENZOATE
SYNTHASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		4 ILE A  45
GLN A 299
LEU A 316
LEU A 319
 None
 1.07A 2qqcB-1fhuA:
0.0
2qqcC-1fhuA:
0.0		 2qqcB-1fhuA:
15.58
2qqcC-1fhuA:
11.44
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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		4 ARG 1 248
LEU 1 343
ASP 1 252
LEU 1 188
 None
 0.69A 2qqcB-1gt91:
0.0
2qqcC-1gt91:
0.0		 2qqcB-1gt91:
13.55
2qqcC-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.
1hna GLUTATHIONE
S-TRANSFERASE

(Homo sapiens) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ILE A  69
MET A   2
LEU A  20
LEU A  76
 None
 1.00A 2qqcB-1hnaA:
undetectable
2qqcC-1hnaA:
undetectable		 2qqcB-1hnaA:
20.28
2qqcC-1hnaA:
17.53
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.
1itu RENAL DIPEPTIDASE

(Homo sapiens) 		PF01244
(Peptidase_M19) 		4 ILE A  52
MET A  95
LEU A  35
LEU A  45
 None
NAG  A 461 (-3.7A)
None
None
 0.94A 2qqcB-1ituA:
0.0
2qqcC-1ituA:
0.0		 2qqcB-1ituA:
14.36
2qqcC-1ituA:
10.03
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.
1lc7 L-THREONINE-O-3-PHOS
PHATE DECARBOXYLASE

(Salmonella
enterica) 		PF00155
(Aminotran_1_2) 		4 ILE A  33
GLN A 345
LEU A  27
ASP A  28
 None
 1.06A 2qqcB-1lc7A:
0.0
2qqcC-1lc7A:
undetectable		 2qqcB-1lc7A:
12.43
2qqcC-1lc7A:
11.01
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.
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
 0.88A 2qqcB-1nnhA:
0.2
2qqcC-1nnhA:
undetectable		 2qqcB-1nnhA:
16.96
2qqcC-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.
1ors 33H1 FAB HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE B  68
ARG B  67
ASP B  90
LEU B  18
 None
 0.98A 2qqcB-1orsB:
undetectable
2qqcC-1orsB:
0.0		 2qqcB-1orsB:
19.52
2qqcC-1orsB:
11.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
40 KDA SUBUNIT
QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
9 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF08992
(QH-AmDH_gamma)
no annotation 		4 ARG B   9
LEU C  51
ASP C  39
LEU B 327
 None
None
None
TRW  C  43 ( 4.2A)
 0.94A 2qqcB-1pbyB:
undetectable
2qqcC-1pbyB:
0.0		 2qqcB-1pbyB:
19.23
2qqcC-1pbyB:
9.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.87A 2qqcB-1qfwL:
undetectable
2qqcC-1qfwL:
undetectable		 2qqcB-1qfwL:
20.93
2qqcC-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.
1qu2 ISOLEUCYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00133
(tRNA-synt_1)
PF06827
(zf-FPG_IleRS)
PF08264
(Anticodon_1) 		4 ILE A 748
MET A 741
GLN A 742
LEU A 728
 None
 0.91A 2qqcB-1qu2A:
undetectable
2qqcC-1qu2A:
0.0		 2qqcB-1qu2A:
9.08
2qqcC-1qu2A:
5.76
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.
1r30 BIOTIN SYNTHASE

(Escherichia
coli) 		PF04055
(Radical_SAM)
PF06968
(BATS) 		4 GLN A 313
ARG A 265
LEU A 302
ASP A 301
 None
 1.06A 2qqcB-1r30A:
undetectable
2qqcC-1r30A:
undetectable		 2qqcB-1r30A:
14.01
2qqcC-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.
1s5t DIHYDRODIPICOLINATE
SYNTHASE

(Escherichia
coli) 		PF00701
(DHDPS) 		4 MET A 214
LEU A 236
ASP A 188
LEU A 243
 None
 1.05A 2qqcB-1s5tA:
undetectable
2qqcC-1s5tA:
undetectable		 2qqcB-1s5tA:
16.37
2qqcC-1s5tA:
14.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		4 ARG A 437
LEU A 532
ASP A 441
LEU A 377
 None
 0.79A 2qqcB-1t1eA:
undetectable
2qqcC-1t1eA:
undetectable		 2qqcB-1t1eA:
9.89
2qqcC-1t1eA:
7.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1td2 PYRIDOXAMINE KINASE

(Escherichia
coli) 		PF08543
(Phos_pyr_kin) 		4 ILE A  93
GLN A  99
LEU A  73
LEU A  36
 None
 1.04A 2qqcB-1td2A:
undetectable
2qqcC-1td2A:
undetectable		 2qqcB-1td2A:
17.48
2qqcC-1td2A:
10.60
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.
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
 0.98A 2qqcB-1tltA:
undetectable
2qqcC-1tltA:
undetectable		 2qqcB-1tltA:
16.82
2qqcC-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.
1u2h AORTIC
PREFERENTIALLY
EXPRESSED PROTEIN 1

(Homo sapiens) 		PF07679
(I-set) 		4 GLN A  29
ARG A  65
LEU A 108
ASP A  87
 None
 1.07A 2qqcB-1u2hA:
undetectable
2qqcC-1u2hA:
undetectable		 2qqcB-1u2hA:
22.22
2qqcC-1u2hA:
17.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u3d CRYPTOCHROME 1
APOPROTEIN

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 ILE A  82
LEU A  67
ASP A  71
LEU A  74
 None
 0.83A 2qqcB-1u3dA:
undetectable
2qqcC-1u3dA:
undetectable		 2qqcB-1u3dA:
12.32
2qqcC-1u3dA:
8.57
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.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		4 ARG A 271
LEU A  94
ASP A  96
LEU A  97
 SAM  A3142 (-3.2A)
None
SAM  A3142 (-3.5A)
None
 0.99A 2qqcB-1wg8A:
undetectable
2qqcC-1wg8A:
undetectable		 2qqcB-1wg8A:
18.79
2qqcC-1wg8A:
13.25
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.
1yac YCAC GENE PRODUCT

(Escherichia
coli) 		PF00857
(Isochorismatase) 		4 ILE A  88
ARG A  84
LEU A  24
ASP A  19
 None
 1.01A 2qqcB-1yacA:
undetectable
2qqcC-1yacA:
undetectable		 2qqcB-1yacA:
18.18
2qqcC-1yacA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yp0 NUCLEAR RECEPTOR
SUBFAMILY 5, GROUP
A, MEMBER 1

(Mus musculus) 		PF00104
(Hormone_recep) 		4 ILE A 245
ARG A 314
LEU A 307
ASP A 310
 None
None
PEF  A 201 (-4.0A)
None
 1.04A 2qqcB-1yp0A:
undetectable
2qqcC-1yp0A:
undetectable		 2qqcB-1yp0A:
23.71
2qqcC-1yp0A:
11.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zpu IRON TRANSPORT
MULTICOPPER OXIDASE
FET3

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

(Pyrococcus
horikoshii) 		PF00709
(Adenylsucc_synt) 		4 ILE A 218
ARG A 336
LEU A 172
ASP A  27
 None
 1.06A 2qqcB-2d7uA:
undetectable
2qqcC-2d7uA:
undetectable		 2qqcB-2d7uA:
15.34
2qqcC-2d7uA:
10.71
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.
2g42 HYPOTHETICAL PROTEIN
TM_0693

(Thermotoga
maritima) 		no annotation 4 ARG A  29
LEU A  52
ASP A  48
LEU A  45
 None
 0.81A 2qqcB-2g42A:
undetectable
2qqcC-2g42A:
undetectable		 2qqcB-2g42A:
20.51
2qqcC-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.
2gaf POLY(A) POLYMERASE
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03296
(Pox_polyA_pol)
PF12629
(Pox_polyA_pol_C)
PF12630
(Pox_polyA_pol_N) 		4 ILE D 343
LEU D 373
ASP D 369
LEU D 366
 None
 1.00A 2qqcB-2gafD:
undetectable
2qqcC-2gafD:
undetectable		 2qqcB-2gafD:
12.68
2qqcC-2gafD:
9.87
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.
2jgp TYROCIDINE
SYNTHETASE 3

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		4 ARG A 297
LEU A 467
ASP A 466
LEU A 289
 None
 0.97A 2qqcB-2jgpA:
1.1
2qqcC-2jgpA:
undetectable		 2qqcB-2jgpA:
11.58
2qqcC-2jgpA:
8.53
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.
2k6b PROGRAMMED CELL
DEATH PROTEIN 5

(Homo sapiens) 		PF01984
(dsDNA_bind) 		4 ILE A  75
GLN A  82
LEU A  83
LEU A  48
 None
 0.97A 2qqcB-2k6bA:
undetectable
2qqcC-2k6bA:
undetectable		 2qqcB-2k6bA:
20.63
2qqcC-2k6bA:
17.82
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.
2kc3 APOLIPOPROTEIN E

(Homo sapiens) 		PF01442
(Apolipoprotein) 		4 GLN A 101
LEU A 155
ASP A 151
LEU A 148
 None
 0.91A 2qqcB-2kc3A:
undetectable
2qqcC-2kc3A:
undetectable		 2qqcB-2kc3A:
19.46
2qqcC-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.
2nyf NOSTOC PUNCTIFORME
PHENYLALANINE
AMMONIA LYASE

(Nostoc
punctiforme) 		PF00221
(Lyase_aromatic) 		4 ILE A 542
GLN A 473
LEU A 242
LEU A 480
 None
 1.05A 2qqcB-2nyfA:
undetectable
2qqcC-2nyfA:
undetectable		 2qqcB-2nyfA:
12.63
2qqcC-2nyfA:
6.78
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 ILE A 333
ARG A 277
LEU A 199
ASP A 145
 None
 0.98A 2qqcB-2p3xA:
undetectable
2qqcC-2p3xA:
undetectable		 2qqcB-2p3xA:
14.24
2qqcC-2p3xA:
9.23
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.
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
 0.69A 2qqcB-2pbgA:
undetectable
2qqcC-2pbgA:
undetectable		 2qqcB-2pbgA:
15.97
2qqcC-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.
2pi5 DNA-DIRECTED RNA
POLYMERASE

(Escherichia
virus T7) 		PF00940
(RNA_pol)
PF14700
(RPOL_N) 		4 ILE A  74
MET A  81
LEU A 220
LEU A 123
 None
 1.04A 2qqcB-2pi5A:
undetectable
2qqcC-2pi5A:
undetectable		 2qqcB-2pi5A:
8.93
2qqcC-2pi5A:
4.93
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.
2rdx MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
PUTATIVE

(Roseovarius
nubinhibens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 137
LEU A 322
ASP A 321
LEU A 342
 None
 1.06A 2qqcB-2rdxA:
undetectable
2qqcC-2rdxA:
undetectable		 2qqcB-2rdxA:
15.18
2qqcC-2rdxA:
11.15
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.
2y4f PEROXIDASE YCDB

(Escherichia
coli) 		PF04261
(Dyp_perox) 		5 ILE A 179
MET A  37
GLN A 145
LEU A  39
LEU A 331
 None
None
None
None
HEM  A 389 (-4.2A)
 1.50A 2qqcB-2y4fA:
undetectable
2qqcC-2y4fA:
undetectable		 2qqcB-2y4fA:
13.38
2qqcC-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
 0.82A 2qqcB-2ynkA:
undetectable
2qqcC-2ynkA:
undetectable		 2qqcB-2ynkA:
14.32
2qqcC-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.
3ego PROBABLE
2-DEHYDROPANTOATE
2-REDUCTASE

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

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		4 ILE A 478
MET A 547
LEU A 312
LEU A 414
 None
 1.03A 2qqcB-3gf7A:
undetectable
2qqcC-3gf7A:
undetectable		 2qqcB-3gf7A:
12.24
2qqcC-3gf7A:
7.13
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.
3hb7 ISOCHORISMATASE
HYDROLASE

(Alkaliphilus
metalliredigens) 		PF00857
(Isochorismatase) 		4 GLN A  55
ARG A  68
LEU A  12
ASP A  14
 None
 0.92A 2qqcB-3hb7A:
undetectable
2qqcC-3hb7A:
undetectable		 2qqcB-3hb7A:
24.32
2qqcC-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.
3hur ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		4 GLN A  55
ARG A  26
LEU A  81
ASP A  61
 None
 0.99A 2qqcB-3hurA:
undetectable
2qqcC-3hurA:
undetectable		 2qqcB-3hurA:
15.14
2qqcC-3hurA:
10.83
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.
3icv LIPASE B

(Moesziomyces
antarcticus) 		no annotation 4 ILE A  87
GLN A  92
LEU A  93
LEU A 136
 None
 1.03A 2qqcB-3icvA:
undetectable
2qqcC-3icvA:
undetectable		 2qqcB-3icvA:
17.25
2qqcC-3icvA:
14.56
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.
3js3 3-DEHYDROQUINATE
DEHYDRATASE

(Clostridioides
difficile) 		PF01487
(DHquinase_I) 		5 ILE A  76
GLN A   6
ARG A  70
ASP A 112
LEU A 113
 None
 1.38A 2qqcB-3js3A:
undetectable
2qqcC-3js3A:
undetectable		 2qqcB-3js3A:
19.66
2qqcC-3js3A:
11.28
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 ILE B  60
ARG B  33
ASP B 182
LEU B 183
 SAM  B 301 (-4.2A)
SAM  B 301 ( 4.7A)
SAM  B 301 (-3.1A)
SAM  B 301 (-4.0A)
 1.05A 2qqcB-3lcvB:
undetectable
2qqcC-3lcvB:
undetectable		 2qqcB-3lcvB:
17.79
2qqcC-3lcvB:
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.
3lk6 LIPOPROTEIN YBBD

(Bacillus
subtilis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		4 ILE A 511
GLN A 464
LEU A 562
LEU A 559
 None
 1.03A 2qqcB-3lk6A:
undetectable
2qqcC-3lk6A:
undetectable		 2qqcB-3lk6A:
11.24
2qqcC-3lk6A:
5.84
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.
3na0 CHOLESTEROL
SIDE-CHAIN CLEAVAGE
ENZYME,
MITOCHONDRIAL

(Homo sapiens) 		PF00067
(p450) 		4 GLN A 336
ARG A 185
LEU A 202
ASP A 201
 None
 1.03A 2qqcB-3na0A:
undetectable
2qqcC-3na0A:
undetectable		 2qqcB-3na0A:
12.95
2qqcC-3na0A:
7.53
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.
3npk GERANYLTRANSTRANSFER
ASE

(Campylobacter
jejuni) 		PF00348
(polyprenyl_synt) 		4 ILE A 187
GLN A  50
LEU A   3
LEU A  61
 None
 0.92A 2qqcB-3npkA:
undetectable
2qqcC-3npkA:
undetectable		 2qqcB-3npkA:
21.51
2qqcC-3npkA:
12.14
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.
3ozx RNASE L INHIBITOR

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		4 ARG A 566
LEU A 520
ASP A 524
LEU A 549
 None
 1.05A 2qqcB-3ozxA:
undetectable
2qqcC-3ozxA:
undetectable		 2qqcB-3ozxA:
13.55
2qqcC-3ozxA:
7.92
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.
3p8t ASNS-LIKE
ASPARAGINYL-TRNA
SYNTHETASE RELATED
PROTEIN

(Pyrococcus
abyssi) 		PF00152
(tRNA-synt_2) 		4 ILE A  45
GLN A  81
LEU A 255
LEU A 247
 None
 0.92A 2qqcB-3p8tA:
undetectable
2qqcC-3p8tA:
undetectable		 2qqcB-3p8tA:
17.25
2qqcC-3p8tA:
11.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pb0 DIHYDRODIPICOLINATE
SYNTHASE

(Thermotoga
maritima) 		PF00701
(DHDPS) 		4 MET A 217
GLN A 216
LEU A 239
ASP A 191
 None
 1.01A 2qqcB-3pb0A:
undetectable
2qqcC-3pb0A:
undetectable		 2qqcB-3pb0A:
20.07
2qqcC-3pb0A:
11.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pb0 DIHYDRODIPICOLINATE
SYNTHASE

(Thermotoga
maritima) 		PF00701
(DHDPS) 		4 MET A 217
GLN A 216
LEU A 239
LEU A 246
 None
 0.77A 2qqcB-3pb0A:
undetectable
2qqcC-3pb0A:
undetectable		 2qqcB-3pb0A:
20.07
2qqcC-3pb0A:
11.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ILE A 372
MET A 339
LEU A 311
LEU A 358
 None
 0.97A 2qqcB-3pfeA:
undetectable
2qqcC-3pfeA:
undetectable		 2qqcB-3pfeA:
11.86
2qqcC-3pfeA:
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.
3pzs PYRIDOXAMINE KINASE

(Yersinia pestis) 		PF08543
(Phos_pyr_kin) 		4 ILE A  92
GLN A  98
LEU A  72
LEU A  35
 None
 1.03A 2qqcB-3pzsA:
undetectable
2qqcC-3pzsA:
undetectable		 2qqcB-3pzsA:
16.26
2qqcC-3pzsA:
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.
3qmw THIOESTERASE

(Streptomyces
coelicolor) 		PF00975
(Thioesterase) 		4 MET A 108
ARG A  69
ASP A 186
LEU A 183
 None
 1.07A 2qqcB-3qmwA:
undetectable
2qqcC-3qmwA:
undetectable		 2qqcB-3qmwA:
22.03
2qqcC-3qmwA:
10.77
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.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

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

(Mus musculus) 		PF13855
(LRR_8) 		4 ILE A  92
GLN A 100
LEU A  82
LEU A  65
 None
 1.01A 2qqcB-3t6qA:
undetectable
2qqcC-3t6qA:
undetectable		 2qqcB-3t6qA:
10.44
2qqcC-3t6qA:
6.44
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 ILE A  29
GLN A 165
LEU A 161
LEU A  68
 None
 0.98A 2qqcB-3tb2A:
undetectable
2qqcC-3tb2A:
undetectable		 2qqcB-3tb2A:
17.60
2qqcC-3tb2A:
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.
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
 0.93A 2qqcB-3uufA:
undetectable
2qqcC-3uufA:
undetectable		 2qqcB-3uufA:
18.37
2qqcC-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.
3w36 NAPH1

(Streptomyces
sp. CNQ525) 		no annotation 4 ILE A 136
GLN A 142
LEU A 157
LEU A 164
 None
 0.89A 2qqcB-3w36A:
undetectable
2qqcC-3w36A:
undetectable		 2qqcB-3w36A:
11.63
2qqcC-3w36A:
8.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w6q TYROSINASE

(Aspergillus
oryzae) 		PF00264
(Tyrosinase) 		4 ILE A 367
GLN A  50
LEU A  46
LEU A 169
 None
 1.03A 2qqcB-3w6qA:
undetectable
2qqcC-3w6qA:
undetectable		 2qqcB-3w6qA:
11.30
2qqcC-3w6qA:
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.
3zpc RIBOFLAVIN
BIOSYNTHESIS PROTEIN
RIBD

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

(Xanthomonas sp.
35Y) 		no annotation 4 ILE A 174
MET A 111
GLN A 109
LEU A 240
 None
 1.02A 2qqcB-4b2nA:
undetectable
2qqcC-4b2nA:
undetectable		 2qqcB-4b2nA:
11.54
2qqcC-4b2nA:
5.44
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.
4buj ANTIVIRAL PROTEIN
SKI8

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 ILE C  19
LEU C 343
ASP C 385
LEU C 384
 None
 1.02A 2qqcB-4bujC:
undetectable
2qqcC-4bujC:
undetectable		 2qqcB-4bujC:
14.21
2qqcC-4bujC:
9.77
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.
4g4s PROTEASOME ASSEMBLY
CHAPERONE 2
PROTEASOME CHAPERONE
1

(Saccharomyces
cerevisiae) 		PF09754
(PAC2)
PF10450
(POC1) 		4 GLN P  85
ARG O 152
LEU P  70
ASP P  37
 None
 1.07A 2qqcB-4g4sP:
undetectable
2qqcC-4g4sP:
undetectable		 2qqcB-4g4sP:
16.36
2qqcC-4g4sP:
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.
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
 1.00A 2qqcB-4gb7A:
undetectable
2qqcC-4gb7A:
undetectable		 2qqcB-4gb7A:
13.30
2qqcC-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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		4 MET A 213
LEU A 235
ASP A 187
LEU A 242
 None
 0.98A 2qqcB-4nq1A:
undetectable
2qqcC-4nq1A:
undetectable		 2qqcB-4nq1A:
20.00
2qqcC-4nq1A:
12.59
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.
4p6v NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT E
NA(+)-TRANSLOCATING
NADH-QUINONE
REDUCTASE SUBUNIT F

(Vibrio cholerae) 		PF00111
(Fer2)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
PF02508
(Rnf-Nqr) 		4 ILE E  84
GLN E  92
LEU F  23
LEU F  16
 None
 1.07A 2qqcB-4p6vE:
undetectable
2qqcC-4p6vE:
undetectable		 2qqcB-4p6vE:
21.11
2qqcC-4p6vE:
13.54
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.
4pqg GLYCOSYLTRANSFERASE
GTF1

(Streptococcus
pneumoniae) 		PF00534
(Glycos_transf_1) 		4 ILE A 276
GLN A 265
ARG A  24
ASP A 219
 None
 0.75A 2qqcB-4pqgA:
undetectable
2qqcC-4pqgA:
undetectable		 2qqcB-4pqgA:
13.74
2qqcC-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.
4trq NUCLEAR MRNA EXPORT
PROTEIN THP1

(Saccharomyces
cerevisiae) 		PF01399
(PCI) 		4 ILE B 311
MET B 340
LEU B 407
LEU B 372
 None
 1.04A 2qqcB-4trqB:
undetectable
2qqcC-4trqB:
undetectable		 2qqcB-4trqB:
16.42
2qqcC-4trqB:
9.93
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.
4wh0 PUTATIVE HYDROLASE

(Pseudomonas
aeruginosa) 		PF00857
(Isochorismatase) 		4 ILE A  88
ARG A  84
LEU A  24
ASP A  19
 None
 1.05A 2qqcB-4wh0A:
undetectable
2qqcC-4wh0A:
undetectable		 2qqcB-4wh0A:
19.51
2qqcC-4wh0A:
11.94
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.
4y61 RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE DELTA

(Mus musculus) 		PF00041
(fn3)
PF07679
(I-set)
PF13927
(Ig_3) 		4 GLN A  40
ARG A  75
LEU A 120
ASP A  99
 None
 1.05A 2qqcB-4y61A:
undetectable
2qqcC-4y61A:
undetectable		 2qqcB-4y61A:
15.31
2qqcC-4y61A:
8.83
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.
4yyf BETA-N-ACETYLHEXOSAM
INIDASE

(Mycolicibacterium
smegmatis) 		PF00933
(Glyco_hydro_3) 		4 ARG A 296
LEU A  70
ASP A 339
LEU A 308
 None
 0.89A 2qqcB-4yyfA:
undetectable
2qqcC-4yyfA:
undetectable		 2qqcB-4yyfA:
13.61
2qqcC-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
 0.88A 2qqcB-4z2eA:
undetectable
2qqcC-4z2eA:
undetectable		 2qqcB-4z2eA:
14.15
2qqcC-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.
4zo3 ACYLHOMOSERINE
LACTONASE

(Chryseobacterium
sp. StRB126) 		PF00753
(Lactamase_B) 		4 ILE A  91
ARG A  86
ASP A 263
LEU A 306
 None
 1.00A 2qqcB-4zo3A:
undetectable
2qqcC-4zo3A:
undetectable		 2qqcB-4zo3A:
17.95
2qqcC-4zo3A:
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.
4ztx COBALAMIN-INDEPENDEN
T METHIONINE
SYNTHASE

(Neurospora
crassa) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		4 ILE A 733
ARG A 762
ASP A 488
LEU A 487
 None
 1.07A 2qqcB-4ztxA:
undetectable
2qqcC-4ztxA:
undetectable		 2qqcB-4ztxA:
10.31
2qqcC-4ztxA:
5.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d1v GLOBIN

(Chloroflexus
aurantiacus) 		PF01152
(Bac_globin) 		4 ILE A  22
GLN A  48
LEU A  52
LEU A  96
 None
 0.89A 2qqcB-5d1vA:
undetectable
2qqcC-5d1vA:
undetectable		 2qqcB-5d1vA:
19.55
2qqcC-5d1vA:
18.10
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.
5e9u GLYCOSYLTRANSFERASE
GTF1

(Streptococcus
gordonii) 		PF00534
(Glycos_transf_1) 		4 ILE A 276
GLN A 265
ARG A  24
ASP A 219
 None
 0.97A 2qqcB-5e9uA:
undetectable
2qqcC-5e9uA:
undetectable		 2qqcB-5e9uA:
11.75
2qqcC-5e9uA:
7.36
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.
5f9w HEAVY CHAIN OF
CH235-LINEAGE
ANTIBODY CH235

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 ILE B  67
ARG B  66
ASP B  86
LEU B  82
 None
 1.08A 2qqcB-5f9wB:
undetectable
2qqcC-5f9wB:
undetectable		 2qqcB-5f9wB:
17.59
2qqcC-5f9wB:
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.
5gl7 METHIONINE--TRNA
LIGASE, CYTOPLASMIC

(Homo sapiens) 		PF09334
(tRNA-synt_1g) 		4 ARG A 737
LEU A 681
ASP A 678
LEU A 674
 None
 0.79A 2qqcB-5gl7A:
undetectable
2qqcC-5gl7A:
undetectable		 2qqcB-5gl7A:
11.31
2qqcC-5gl7A:
8.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 2qqcB-5h3oA:
undetectable
2qqcC-5h3oA:
undetectable		 2qqcB-5h3oA:
8.77
2qqcC-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.
5hx9 BETA-LACTAMASE

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

(Burkholderia
pseudomallei) 		no annotation 4 ILE A 257
MET A 245
LEU A 272
LEU A 265
 None
 1.02A 2qqcB-5j4aA:
undetectable
2qqcC-5j4aA:
undetectable		 2qqcB-5j4aA:
20.71
2qqcC-5j4aA:
18.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5juf TRANSCRIPTIONAL
REGULATOR

(Streptococcus
thermophilus) 		PF01381
(HTH_3) 		4 ILE A 187
LEU A 210
ASP A 209
LEU A 163
 None
 0.98A 2qqcB-5jufA:
undetectable
2qqcC-5jufA:
undetectable		 2qqcB-5jufA:
13.55
2qqcC-5jufA:
9.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k13 RETINOIC ACID
RECEPTOR ALPHA

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 ILE A 273
GLN A 296
LEU A 224
LEU A 231
 6Q7  A 501 ( 3.9A)
None
None
6Q7  A 501 ( 4.3A)
 1.05A 2qqcB-5k13A:
undetectable
2qqcC-5k13A:
undetectable		 2qqcB-5k13A:
15.73
2qqcC-5k13A:
14.42
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.
5n8o DNA HELICASE I

(Escherichia
coli) 		PF07057
(TraI)
PF08751
(TrwC)
PF13604
(AAA_30) 		4 ILE A1337
GLN A1258
LEU A1254
ASP A1343
 None
 1.02A 2qqcB-5n8oA:
undetectable
2qqcC-5n8oA:
undetectable		 2qqcB-5n8oA:
4.67
2qqcC-5n8oA:
2.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		4 ILE A 513
ARG A 516
LEU A 645
ASP A 644
 None
 1.05A 2qqcB-5tusA:
undetectable
2qqcC-5tusA:
undetectable		 2qqcB-5tusA:
9.78
2qqcC-5tusA:
5.69
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.
5v5s OUTER MEMBRANE
PROTEIN TOLC

(Escherichia
coli) 		PF02321
(OEP) 		4 ILE A 400
LEU A 415
ASP A 411
LEU A 407
 None
 1.04A 2qqcB-5v5sA:
undetectable
2qqcC-5v5sA:
undetectable		 2qqcB-5v5sA:
14.71
2qqcC-5v5sA:
10.91
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.
5veu CYTOCHROME P450 3A5

(Homo sapiens) 		no annotation 4 ILE A 276
ARG A 260
ASP A 270
LEU A 269
 None
 0.85A 2qqcB-5veuA:
undetectable
2qqcC-5veuA:
undetectable		 2qqcB-5veuA:
12.66
2qqcC-5veuA:
7.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.88A 2qqcB-5vxrH:
undetectable
2qqcC-5vxrH:
undetectable		 2qqcB-5vxrH:
20.91
2qqcC-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
 0.67A 2qqcB-5w21A:
undetectable
2qqcC-5w21A:
undetectable		 2qqcB-5w21A:
23.21
2qqcC-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.
5wb1 ENVELOPE PROTEIN
US28, NANOBODY 7
FUSION PROTEIN

(Human
betaherpesvirus
5;
Lama glama) 		no annotation 4 ILE A 187
MET A 193
LEU A 248
LEU A 255
 None
 1.04A 2qqcB-5wb1A:
undetectable
2qqcC-5wb1A:
undetectable		 2qqcB-5wb1A:
14.29
2qqcC-5wb1A:
22.37
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.
5yti FLAGELLAR HOOK
ASSOCIATED PROTEIN
TYPE 3 FLGL

(Legionella
pneumophila) 		no annotation 4 ILE A 331
GLN A  96
LEU A 110
LEU A 117
 None
 1.03A 2qqcB-5ytiA:
undetectable
2qqcC-5ytiA:
undetectable		 2qqcB-5ytiA:
14.91
2qqcC-5ytiA:
17.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zcs TARGET OF RAPAMYCIN
COMPLEX SUBUNIT LST8

(Homo sapiens) 		no annotation 4 ILE C  88
GLN C 148
ARG C 110
ASP C 106
 None
 1.00A 2qqcB-5zcsC:
undetectable
2qqcC-5zcsC:
undetectable		 2qqcB-5zcsC:
23.00
2qqcC-5zcsC:
23.46
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.
6c26 DOLICHYL-DIPHOSPHOOL
IGOSACCHARIDE--PROTE
IN
GLYCOSYLTRANSFERASE
SUBUNIT SWP1

(Saccharomyces
cerevisiae) 		no annotation 4 ILE C 133
MET C  94
ASP C 119
LEU C 123
 None
 1.06A 2qqcB-6c26C:
undetectable
2qqcC-6c26C:
undetectable		 2qqcB-6c26C:
23.08
2qqcC-6c26C:
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 4 GLN A 800
ARG A 921
LEU A 802
ASP A 827
 None
 1.03A 2qqcB-6cipA:
undetectable
2qqcC-6cipA:
undetectable		 2qqcB-6cipA:
22.73
2qqcC-6cipA:
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.
6fd2 PUTATIVE APRAMYCIN
BIOSYNTHETIC
OXIDOREDUCTASE 4

(Streptoalloteichus
tenebrarius) 		no annotation 4 ARG B  24
LEU B  96
ASP B  92
LEU B  89
 None
 1.01A 2qqcB-6fd2B:
undetectable
2qqcC-6fd2B:
undetectable		 2qqcB-6fd2B:
22.41
2qqcC-6fd2B:
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.
6gsw MU CLASS GLUTATHIONE
S-TRANSFERASE OF
ISOENZYME 3-3

(Rattus rattus) 		PF00043
(GST_C)
PF02798
(GST_N) 		4 ILE A 207
ARG A 107
LEU A  18
ASP A 161
 None
 1.08A 2qqcB-6gswA:
undetectable
2qqcC-6gswA:
undetectable		 2qqcB-6gswA:
20.74
2qqcC-6gswA:
14.43