SIMILAR PATTERNS OF AMINO ACIDS FOR 2ZXW_C_CHDC271_0

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.
1a3q PROTEIN (NUCLEAR
FACTOR KAPPA-B P52)

(Homo sapiens) 		PF00554
(RHD_DNA_bind)
PF16179
(RHD_dimer) 		4 LYS A 310
LEU A 309
LEU A 248
PHE A 289
 None
 0.89A 2zxwC-1a3qA:
undetectable
2zxwJ-1a3qA:
0.0		 2zxwC-1a3qA:
21.92
2zxwJ-1a3qA:
13.78
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.
1c8u ACYL-COA
THIOESTERASE II

(Escherichia
coli) 		PF13622
(4HBT_3) 		5 LEU A  56
GLN A 109
PHE A 108
LEU A 192
PHE A 239
 None
 1.46A 2zxwC-1c8uA:
0.0
2zxwJ-1c8uA:
0.0		 2zxwC-1c8uA:
22.53
2zxwJ-1c8uA:
12.36
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.
1d2i PROTEIN (RESTRICTION
ENDONUCLEASE BGLII)

(Bacillus
subtilis) 		PF09195
(Endonuc-BglII) 		4 LEU A 102
GLN A  95
LEU A 152
PHE A 161
 None
MG  A 601 ( 4.1A)
None
None
 0.99A 2zxwC-1d2iA:
undetectable
2zxwJ-1d2iA:
0.0		 2zxwC-1d2iA:
19.62
2zxwJ-1d2iA:
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.
1dgm ADENOSINE KINASE

(Toxoplasma
gondii) 		PF00294
(PfkB) 		4 LEU A 214
GLN A 211
LEU A 195
PHE A 193
 None
 0.99A 2zxwC-1dgmA:
0.0
2zxwJ-1dgmA:
0.0		 2zxwC-1dgmA:
21.78
2zxwJ-1dgmA:
9.94
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.
1fkm PROTEIN (GYP1P)

(Saccharomyces
cerevisiae) 		PF00566
(RabGAP-TBC) 		4 GLN A 603
PHE A 479
LEU A 488
PHE A 492
 None
 1.00A 2zxwC-1fkmA:
0.0
2zxwJ-1fkmA:
0.0		 2zxwC-1fkmA:
20.41
2zxwJ-1fkmA:
13.64
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.
1g59 GLUTAMYL-TRNA
SYNTHETASE

(Thermus
thermophilus) 		PF00749
(tRNA-synt_1c) 		4 LYS A 149
LEU A 148
LEU A 219
PHE A 223
 None
 0.97A 2zxwC-1g59A:
undetectable
2zxwJ-1g59A:
0.0		 2zxwC-1g59A:
18.76
2zxwJ-1g59A:
12.26
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.
1hkk CHITOTRIOSIDASE-1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 LEU A  66
GLN A  65
LEU A  94
PHE A 132
 None
 1.00A 2zxwC-1hkkA:
0.1
2zxwJ-1hkkA:
0.0		 2zxwC-1hkkA:
21.66
2zxwJ-1hkkA:
12.77
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.
1ji7 ETS-RELATED PROTEIN
TEL1

(Homo sapiens) 		PF02198
(SAM_PNT) 		4 LYS A  39
GLN A  36
LEU A  84
PHE A  45
 None
 1.00A 2zxwC-1ji7A:
undetectable
2zxwJ-1ji7A:
undetectable		 2zxwC-1ji7A:
16.46
2zxwJ-1ji7A:
20.22
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.
1jkw CYCLIN H

(Homo sapiens) 		PF00134
(Cyclin_N)
PF16899
(Cyclin_C_2) 		4 ARG A 102
LEU A 106
PHE A 110
LEU A 129
 None
 0.87A 2zxwC-1jkwA:
0.7
2zxwJ-1jkwA:
0.0		 2zxwC-1jkwA:
20.52
2zxwJ-1jkwA:
13.17
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.
1juv DIHYDROFOLATE
REDUCTASE

(Escherichia
virus T4) 		PF00186
(DHFR_1) 		4 LEU A  20
GLN A 159
PHE A  22
LEU A 165
 None
None
NDP  A 194 (-3.6A)
None
 1.00A 2zxwC-1juvA:
undetectable
2zxwJ-1juvA:
undetectable		 2zxwC-1juvA:
18.99
2zxwJ-1juvA:
16.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kkc MANGANESE SUPEROXIDE
DISMUTASE

(Aspergillus
fumigatus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 LEU A  28
GLN A  29
LEU A  95
PHE A  91
 None
 0.77A 2zxwC-1kkcA:
2.5
2zxwJ-1kkcA:
undetectable		 2zxwC-1kkcA:
19.93
2zxwJ-1kkcA:
13.12
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.
1lnl HEMOCYANIN

(Rapana venosa) 		PF00264
(Tyrosinase)
PF14830
(Haemocyan_bet_s) 		4 ARG A 217
LEU A 221
GLN A 223
LEU A 287
 None
 0.89A 2zxwC-1lnlA:
undetectable
2zxwJ-1lnlA:
undetectable		 2zxwC-1lnlA:
20.98
2zxwJ-1lnlA:
7.60
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.
1m33 BIOH PROTEIN

(Escherichia
coli) 		PF00561
(Abhydrolase_1) 		4 LEU A 132
GLN A 131
PHE A 128
LEU A 176
 None
 0.85A 2zxwC-1m33A:
undetectable
2zxwJ-1m33A:
undetectable		 2zxwC-1m33A:
20.57
2zxwJ-1m33A:
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.
1oj4 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Escherichia
coli) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 LYS A 271
LEU A  35
PHE A  34
PHE A 245
 None
 0.86A 2zxwC-1oj4A:
undetectable
2zxwJ-1oj4A:
undetectable		 2zxwC-1oj4A:
23.79
2zxwJ-1oj4A:
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.
1pby QUINOHEMOPROTEIN
AMINE DEHYDROGENASE
60 KDA SUBUNIT

(Paracoccus
denitrificans) 		PF09098
(Dehyd-heme_bind)
PF09099
(Qn_am_d_aIII)
PF09100
(Qn_am_d_aIV)
PF14930
(Qn_am_d_aII) 		4 LYS A 326
LEU A 325
GLN A 293
LEU A 340
 None
 0.89A 2zxwC-1pbyA:
undetectable
2zxwJ-1pbyA:
undetectable		 2zxwC-1pbyA:
18.43
2zxwJ-1pbyA:
8.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pgr PROTEIN (G-CSF
RECEPTOR)

(Mus musculus) 		no annotation 4 LEU B 187
GLN B 188
LEU B 176
PHE B 174
 None
 0.98A 2zxwC-1pgrB:
undetectable
2zxwJ-1pgrB:
undetectable		 2zxwC-1pgrB:
19.10
2zxwJ-1pgrB:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rj7 ECTODYSPLASIN A

(Homo sapiens) 		PF00229
(TNF) 		4 LEU A 253
GLN A 254
LEU A 293
PHE A 284
 None
 0.94A 2zxwC-1rj7A:
undetectable
2zxwJ-1rj7A:
undetectable		 2zxwC-1rj7A:
19.93
2zxwJ-1rj7A:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rj7 ECTODYSPLASIN A

(Homo sapiens) 		PF00229
(TNF) 		4 LEU A 253
GLN A 254
PHE A 379
PHE A 284
 None
 0.87A 2zxwC-1rj7A:
undetectable
2zxwJ-1rj7A:
undetectable		 2zxwC-1rj7A:
19.93
2zxwJ-1rj7A:
15.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u8v GAMMA-AMINOBUTYRATE
METABOLISM
DEHYDRATASE/ISOMERAS
E

(Clostridium
aminobutyricum) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 ARG A 433
LEU A 437
LEU A 391
PHE A 422
 None
 0.90A 2zxwC-1u8vA:
3.8
2zxwJ-1u8vA:
undetectable		 2zxwC-1u8vA:
19.70
2zxwJ-1u8vA:
8.93
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.
1uus STAT PROTEIN

(Dictyostelium
discoideum) 		PF00017
(SH2)
PF09267
(Dict-STAT-coil) 		4 LYS A 330
LEU A 333
GLN A 334
PHE A 337
 None
 0.99A 2zxwC-1uusA:
5.7
2zxwJ-1uusA:
undetectable		 2zxwC-1uusA:
19.58
2zxwJ-1uusA:
8.08
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.
1uzg MAJOR ENVELOPE
PROTEIN E

(Dengue virus) 		PF00869
(Flavi_glycoprot)
PF02832
(Flavi_glycop_C) 		4 LYS A  47
LEU A  45
GLN A  46
LEU A 281
 None
 0.75A 2zxwC-1uzgA:
undetectable
2zxwJ-1uzgA:
undetectable		 2zxwC-1uzgA:
20.75
2zxwJ-1uzgA:
8.14
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.
1v8d HYPOTHETICAL PROTEIN
(TT1679)

(Thermus
thermophilus) 		PF04260
(DUF436) 		4 LEU A  55
GLN A  56
LEU A 100
PHE A  66
 None
 0.86A 2zxwC-1v8dA:
undetectable
2zxwJ-1v8dA:
undetectable		 2zxwC-1v8dA:
21.82
2zxwJ-1v8dA:
11.89
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.
1w61 B-CELL MITOGEN

(Trypanosoma
cruzi) 		PF05544
(Pro_racemase) 		4 LYS A  77
LEU A  80
GLN A  81
LEU A  65
 None
 0.87A 2zxwC-1w61A:
undetectable
2zxwJ-1w61A:
undetectable		 2zxwC-1w61A:
20.61
2zxwJ-1w61A:
9.60
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 LEU A  66
GLN A  65
LEU A  94
PHE A 132
 None
 0.93A 2zxwC-1wb0A:
undetectable
2zxwJ-1wb0A:
undetectable		 2zxwC-1wb0A:
19.69
2zxwJ-1wb0A:
9.22
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.
1y76 PROTEIN ASSOCIATED
TO TIGHT JUNCTIONS

(Rattus
norvegicus) 		PF09045
(L27_2) 		4 LEU A  13
GLN A  14
LEU A  42
PHE A  38
 None
 0.87A 2zxwC-1y76A:
undetectable
2zxwJ-1y76A:
undetectable		 2zxwC-1y76A:
13.03
2zxwJ-1y76A:
33.87
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.
1ys2 LIPASE

(Burkholderia
cepacia) 		PF00561
(Abhydrolase_1) 		4 LEU X 167
PHE X 119
LEU X  17
PHE X  52
 2HS  X 600 ( 4.5A)
None
2HS  X 600 (-4.1A)
None
 0.98A 2zxwC-1ys2X:
undetectable
2zxwJ-1ys2X:
undetectable		 2zxwC-1ys2X:
22.32
2zxwJ-1ys2X:
11.08
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.
1yw6 SUCCINYLGLUTAMATE
DESUCCINYLASE

(Escherichia
coli) 		PF04952
(AstE_AspA) 		4 LEU A 184
PHE A 158
LEU A 176
PHE A 172
 None
 0.85A 2zxwC-1yw6A:
undetectable
2zxwJ-1yw6A:
undetectable		 2zxwC-1yw6A:
20.54
2zxwJ-1yw6A:
11.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 ARG A 509
LYS A 510
LEU A 511
GLN A 494
LEU A 554
 None
 1.49A 2zxwC-1zj9A:
undetectable
2zxwJ-1zj9A:
undetectable		 2zxwC-1zj9A:
17.61
2zxwJ-1zj9A:
5.86
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.
2bbk METHYLAMINE
DEHYDROGENASE (HEAVY
SUBUNIT)

(Paracoccus
denitrificans) 		PF06433
(Me-amine-dh_H) 		4 ARG H 119
GLN H 142
PHE H 143
PHE H  66
 None
 0.89A 2zxwC-2bbkH:
undetectable
2zxwJ-2bbkH:
undetectable		 2zxwC-2bbkH:
20.44
2zxwJ-2bbkH:
10.76
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.
2brt LEUCOANTHOCYANIDIN
DIOXYGENASE

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		4 LEU A 210
GLN A 211
PHE A 304
LEU A 176
 None
None
NAR  A1352 ( 3.5A)
None
 0.96A 2zxwC-2brtA:
undetectable
2zxwJ-2brtA:
undetectable		 2zxwC-2brtA:
19.40
2zxwJ-2brtA:
13.23
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.
2cfm THERMOSTABLE DNA
LIGASE

(Pyrococcus
furiosus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 LEU A 522
GLN A 511
PHE A 520
LEU A 428
 None
 0.93A 2zxwC-2cfmA:
undetectable
2zxwJ-2cfmA:
undetectable		 2zxwC-2cfmA:
17.30
2zxwJ-2cfmA:
7.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ghb MALTOSE ABC
TRANSPORTER,
PERIPLASMIC
MALTOSE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF13416
(SBP_bac_8) 		4 LEU A 103
PHE A  97
LEU A  86
PHE A  83
 None
 1.00A 2zxwC-2ghbA:
undetectable
2zxwJ-2ghbA:
undetectable		 2zxwC-2ghbA:
19.69
2zxwJ-2ghbA:
9.45
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.
2irw CORTICOSTEROID
11-BETA-DEHYDROGENAS
E ISOZYME 1

(Homo sapiens) 		PF00106
(adh_short) 		4 LYS A  68
LEU A  71
GLN A  72
PHE A 102
 None
 0.91A 2zxwC-2irwA:
undetectable
2zxwJ-2irwA:
undetectable		 2zxwC-2irwA:
18.75
2zxwJ-2irwA:
12.50
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.
2jek RV1873

(Mycobacterium
tuberculosis) 		PF08837
(DUF1810) 		4 LEU A 125
PHE A 122
LEU A 105
PHE A  97
 None
 0.99A 2zxwC-2jekA:
undetectable
2zxwJ-2jekA:
undetectable		 2zxwC-2jekA:
19.92
2zxwJ-2jekA:
15.79
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.
2o36 THIMET
OLIGOPEPTIDASE

(Homo sapiens) 		PF01432
(Peptidase_M3) 		4 LEU A 564
GLN A 567
LEU A 601
PHE A 598
 None
 0.94A 2zxwC-2o36A:
2.8
2zxwJ-2o36A:
undetectable		 2zxwC-2o36A:
17.45
2zxwJ-2o36A:
7.26
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.
2olt HYPOTHETICAL PROTEIN

(Shewanella
oneidensis) 		PF01865
(PhoU_div) 		4 LEU A 117
GLN A 118
PHE A 121
LEU A 183
 None
 0.78A 2zxwC-2oltA:
3.1
2zxwJ-2oltA:
undetectable		 2zxwC-2oltA:
22.38
2zxwJ-2oltA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2opt ACTII PROTEIN

(Streptomyces
coelicolor) 		PF00440
(TetR_N)
PF02909
(TetR_C) 		4 ARG A  75
LEU A  79
PHE A  83
LEU A  49
 None
 0.72A 2zxwC-2optA:
3.1
2zxwJ-2optA:
undetectable		 2zxwC-2optA:
23.19
2zxwJ-2optA:
12.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2otn DIAMINOPIMELATE
EPIMERASE

(Bacillus
anthracis) 		PF01678
(DAP_epimerase) 		4 ARG A  81
LYS A 271
LEU A 258
LEU A  12
 None
 0.69A 2zxwC-2otnA:
undetectable
2zxwJ-2otnA:
undetectable		 2zxwC-2otnA:
21.78
2zxwJ-2otnA:
14.93
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.
2pkg SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
65 KDA REGULATORY
SUBUNIT A ALPHA
ISOFORM

(Homo sapiens) 		PF02985
(HEAT)
PF13646
(HEAT_2) 		4 LYS A 163
LEU A 166
PHE A 170
PHE A 128
 None
 1.00A 2zxwC-2pkgA:
undetectable
2zxwJ-2pkgA:
undetectable		 2zxwC-2pkgA:
18.53
2zxwJ-2pkgA:
8.85
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.
2q0x UNCHARACTERIZED
PROTEIN

(Trypanosoma
brucei) 		PF08538
(DUF1749) 		4 LEU A 288
GLN A 289
PHE A 290
LEU A  64
 None
 0.90A 2zxwC-2q0xA:
undetectable
2zxwJ-2q0xA:
undetectable		 2zxwC-2q0xA:
23.31
2zxwJ-2q0xA:
11.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qar E80-TELSAM DOMAIN

(Escherichia
coli) 		PF02198
(SAM_PNT) 		4 LYS A  39
GLN A  36
LEU A  84
PHE A  45
 None
 0.98A 2zxwC-2qarA:
undetectable
2zxwJ-2qarA:
undetectable		 2zxwC-2qarA:
20.10
2zxwJ-2qarA:
19.32
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.
2qar TELSAM DOMAIN

(Escherichia
coli) 		PF02198
(SAM_PNT) 		4 LYS B  39
GLN B  36
LEU B  84
PHE B  45
 None
 0.99A 2zxwC-2qarB:
undetectable
2zxwJ-2qarB:
1.6		 2zxwC-2qarB:
15.87
2zxwJ-2qarB:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qr6 IMP
DEHYDROGENASE/GMP
REDUCTASE

(Corynebacterium
glutamicum) 		PF00478
(IMPDH) 		4 LEU A 363
GLN A 367
PHE A 366
PHE A  51
 None
 0.73A 2zxwC-2qr6A:
undetectable
2zxwJ-2qr6A:
undetectable		 2zxwC-2qr6A:
17.81
2zxwJ-2qr6A:
9.67
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.
2qv8 GENERAL SECRETION
PATHWAY PROTEIN H

(Vibrio cholerae) 		PF12019
(GspH) 		4 LEU A 177
GLN A 172
LEU A  43
PHE A  39
 None
 0.91A 2zxwC-2qv8A:
undetectable
2zxwJ-2qv8A:
undetectable		 2zxwC-2qv8A:
17.74
2zxwJ-2qv8A:
17.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r4g TELOMERASE REVERSE
TRANSCRIPTASE

(Tetrahymena
thermophila) 		PF12009
(Telomerase_RBD) 		4 GLN A 382
PHE A 379
LEU A 405
PHE A 401
 None
 0.90A 2zxwC-2r4gA:
1.9
2zxwJ-2r4gA:
undetectable		 2zxwC-2r4gA:
19.66
2zxwJ-2r4gA:
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.
2uxo HTH-TYPE
TRANSCRIPTIONAL
REGULATOR TTGR

(Pseudomonas
putida) 		PF00440
(TetR_N)
PF08361
(TetR_C_2) 		4 ARG A  90
LYS A  91
LEU A  94
GLN A  95
 None
 1.00A 2zxwC-2uxoA:
undetectable
2zxwJ-2uxoA:
undetectable		 2zxwC-2uxoA:
21.16
2zxwJ-2uxoA:
15.71
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.
2vxy CELL DIVISION
PROTEIN FTSZ

(Bacillus
subtilis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		4 ARG A 141
LYS A 142
LEU A 145
GLN A 146
 None
 0.90A 2zxwC-2vxyA:
undetectable
2zxwJ-2vxyA:
undetectable		 2zxwC-2vxyA:
18.09
2zxwJ-2vxyA:
10.08
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.
2z63 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 LYS A 349
LEU A 372
PHE A 396
LEU A 356
 None
 1.01A 2zxwC-2z63A:
undetectable
2zxwJ-2z63A:
undetectable		 2zxwC-2z63A:
18.51
2zxwJ-2z63A:
7.54
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.
2zf9 SCAE CELL-SURFACE
ANCHORED SCAFFOLDIN
PROTEIN

(Ruminococcus
flavefaciens) 		PF00963
(Cohesin) 		4 LYS A  70
LEU A 123
GLN A 124
PHE A 102
 None
 0.91A 2zxwC-2zf9A:
undetectable
2zxwJ-2zf9A:
undetectable		 2zxwC-2zf9A:
20.74
2zxwJ-2zf9A:
17.07
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.
2zxx DNA REPLICATION
FACTOR CDT1

(Mus musculus) 		PF08839
(CDT1) 		4 LEU C 199
GLN C 191
LEU C 314
PHE C 310
 None
 1.00A 2zxwC-2zxxC:
undetectable
2zxwJ-2zxxC:
undetectable		 2zxwC-2zxxC:
20.21
2zxwJ-2zxxC:
14.07
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.
3b86 GENERAL
ODORANT-BINDING
PROTEIN LUSH

(Drosophila
melanogaster) 		PF01395
(PBP_GOBP) 		4 LEU A  44
PHE A  21
LEU A  31
PHE A  36
 None
 0.96A 2zxwC-3b86A:
undetectable
2zxwJ-3b86A:
undetectable		 2zxwC-3b86A:
17.60
2zxwJ-3b86A:
22.00
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.
3bho CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 5

(Homo sapiens) 		PF13869
(NUDIX_2) 		5 LYS A 192
LEU A  97
GLN A  98
LEU A 129
PHE A 185
 None
 1.34A 2zxwC-3bhoA:
undetectable
2zxwJ-3bhoA:
undetectable		 2zxwC-3bhoA:
19.00
2zxwJ-3bhoA:
19.48
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.
3c75 METHYLAMINE
DEHYDROGENASE HEAVY
CHAIN

(Paracoccus
versutus) 		PF06433
(Me-amine-dh_H) 		4 ARG H 172
GLN H 195
PHE H 196
PHE H 119
 None
 0.80A 2zxwC-3c75H:
undetectable
2zxwJ-3c75H:
undetectable		 2zxwC-3c75H:
19.95
2zxwJ-3c75H:
7.31
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.
3cmn PUTATIVE HYDROLASE

(Chloroflexus
aurantiacus) 		PF10103
(Zincin_2) 		4 GLN A 118
PHE A 120
LEU A 232
PHE A 228
 None
 1.00A 2zxwC-3cmnA:
undetectable
2zxwJ-3cmnA:
undetectable		 2zxwC-3cmnA:
21.80
2zxwJ-3cmnA:
10.22
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.
3cr8 SULFATE
ADENYLYLTRANSFERASE,
ADENYLYLSULFATE
KINASE

(Thiobacillus
denitrificans) 		PF01583
(APS_kinase)
PF01747
(ATP-sulfurylase)
PF14306
(PUA_2) 		4 LEU A  74
GLN A  73
PHE A  79
LEU A  56
 None
 0.89A 2zxwC-3cr8A:
undetectable
2zxwJ-3cr8A:
undetectable		 2zxwC-3cr8A:
20.53
2zxwJ-3cr8A:
6.16
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.
3dqv CULLIN-5

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		4 LEU C1600
GLN C1599
PHE C1598
LEU C1551
 None
 0.83A 2zxwC-3dqvC:
undetectable
2zxwJ-3dqvC:
undetectable		 2zxwC-3dqvC:
20.37
2zxwJ-3dqvC:
11.59
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.
3dwf 11-BETA-HYDROXYSTERO
ID DEHYDROGENASE 1

(Cavia porcellus) 		PF00106
(adh_short) 		4 LYS A  68
LEU A  71
GLN A  72
PHE A 102
 None
 0.99A 2zxwC-3dwfA:
undetectable
2zxwJ-3dwfA:
undetectable		 2zxwC-3dwfA:
21.57
2zxwJ-3dwfA:
13.94
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.
3evz METHYLTRANSFERASE

(Pyrococcus
furiosus) 		PF05175
(MTS) 		4 LEU A 202
PHE A 153
LEU A 186
PHE A 182
 None
 0.95A 2zxwC-3evzA:
undetectable
2zxwJ-3evzA:
undetectable		 2zxwC-3evzA:
19.78
2zxwJ-3evzA:
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.
3exn PROBABLE
ACETYLTRANSFERASE

(Thermus
thermophilus) 		PF00583
(Acetyltransf_1) 		4 LEU A  63
PHE A  62
LEU A  22
PHE A  26
 None
 0.85A 2zxwC-3exnA:
undetectable
2zxwJ-3exnA:
undetectable		 2zxwC-3exnA:
23.02
2zxwJ-3exnA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eyk HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 LEU A 118
GLN A  80
PHE A 120
LEU A 112
 None
 0.96A 2zxwC-3eykA:
undetectable
2zxwJ-3eykA:
undetectable		 2zxwC-3eykA:
21.21
2zxwJ-3eykA:
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.
3f1v DNA POLYMERASE III
SUBUNIT BETA

(Escherichia
coli) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 LEU A 306
GLN A 289
LEU A 263
PHE A 267
 None
 0.93A 2zxwC-3f1vA:
undetectable
2zxwJ-3f1vA:
undetectable		 2zxwC-3f1vA:
21.20
2zxwJ-3f1vA:
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.
3g1z PUTATIVE LYSYL-TRNA
SYNTHETASE

(Salmonella
enterica) 		PF00152
(tRNA-synt_2) 		4 ARG A 188
LEU A 192
GLN A 193
PHE A 196
 None
 0.76A 2zxwC-3g1zA:
undetectable
2zxwJ-3g1zA:
undetectable		 2zxwC-3g1zA:
20.94
2zxwJ-3g1zA:
9.85
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.
3gzg MOLYBDATE-BINDING
PERIPLASMIC PROTEIN
PERMEASE

(Xanthomonas
citri) 		PF13531
(SBP_bac_11) 		4 LEU A  80
PHE A 230
LEU A 216
PHE A 212
 None
 0.94A 2zxwC-3gzgA:
undetectable
2zxwJ-3gzgA:
undetectable		 2zxwC-3gzgA:
24.09
2zxwJ-3gzgA:
12.72
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.
3h0g DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB7

(Schizosaccharomyces
pombe;
Schizosaccharomyces
pombe) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4)
PF00575
(S1)
PF03876
(SHS2_Rpb7-N) 		4 LYS G   3
LEU G   5
PHE A1496
LEU G  50
 None
 0.88A 2zxwC-3h0gG:
undetectable
2zxwJ-3h0gG:
undetectable		 2zxwC-3h0gG:
22.22
2zxwJ-3h0gG:
16.22
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.
3hlm ASPARTATE
AMINOTRANSFERASE,
MITOCHONDRIAL

(Mus musculus) 		PF00155
(Aminotran_1_2) 		4 ARG A 337
LYS A 338
LEU A 341
GLN A 342
 None
 0.76A 2zxwC-3hlmA:
undetectable
2zxwJ-3hlmA:
undetectable		 2zxwC-3hlmA:
20.64
2zxwJ-3hlmA:
8.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hn2 2-DEHYDROPANTOATE
2-REDUCTASE

(Geobacter
metallireducens) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		4 LEU A 197
GLN A 199
LEU A 293
PHE A 273
 None
 0.98A 2zxwC-3hn2A:
undetectable
2zxwJ-3hn2A:
undetectable		 2zxwC-3hn2A:
22.00
2zxwJ-3hn2A:
10.58
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.
3hrt METALLOREGULATOR
SCAR

(Streptococcus
gordonii) 		PF01325
(Fe_dep_repress)
PF02742
(Fe_dep_repr_C)
PF04023
(FeoA) 		4 ARG A  74
LYS A  75
LEU A  78
PHE A  82
 None
 0.73A 2zxwC-3hrtA:
undetectable
2zxwJ-3hrtA:
undetectable		 2zxwC-3hrtA:
18.61
2zxwJ-3hrtA:
14.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kt4 PKHD-TYPE
HYDROXYLASE TPA1

(Saccharomyces
cerevisiae) 		PF10637
(Ofd1_CTDD)
PF13661
(2OG-FeII_Oxy_4) 		4 LEU A 355
GLN A 356
PHE A 359
PHE A 370
 None
 0.89A 2zxwC-3kt4A:
undetectable
2zxwJ-3kt4A:
undetectable		 2zxwC-3kt4A:
18.26
2zxwJ-3kt4A:
7.22
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.
3kwp PREDICTED
METHYLTRANSFERASE

(Lactobacillus
brevis) 		PF00590
(TP_methylase) 		4 LEU A 180
GLN A 181
LEU A 195
PHE A 227
 None
 0.94A 2zxwC-3kwpA:
undetectable
2zxwJ-3kwpA:
undetectable		 2zxwC-3kwpA:
20.92
2zxwJ-3kwpA:
14.23
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.
3kwp PREDICTED
METHYLTRANSFERASE

(Lactobacillus
brevis) 		PF00590
(TP_methylase) 		4 LYS A 177
LEU A 180
GLN A 181
LEU A 195
 None
 0.90A 2zxwC-3kwpA:
undetectable
2zxwJ-3kwpA:
undetectable		 2zxwC-3kwpA:
20.92
2zxwJ-3kwpA:
14.23
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.
3l6c SERINE RACEMASE

(Rattus
norvegicus) 		PF00291
(PALP) 		4 LEU A 171
GLN A 173
LEU A 200
PHE A   9
 None
 0.82A 2zxwC-3l6cA:
undetectable
2zxwJ-3l6cA:
undetectable		 2zxwC-3l6cA:
21.73
2zxwJ-3l6cA:
12.28
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.
3l6r SERINE RACEMASE

(Homo sapiens) 		PF00291
(PALP) 		4 LEU A 171
GLN A 173
LEU A 200
PHE A   9
 None
 0.90A 2zxwC-3l6rA:
undetectable
2zxwJ-3l6rA:
undetectable		 2zxwC-3l6rA:
21.74
2zxwJ-3l6rA:
10.95
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.
3mtv PAPAIN-LIKE CYSTEINE
PROTEASE

(Porcine
reproductive
and respiratory
syndrome virus) 		PF05411
(Peptidase_C32) 		4 LYS A 161
LEU A 160
GLN A 148
LEU A  94
 None
 0.88A 2zxwC-3mtvA:
undetectable
2zxwJ-3mtvA:
undetectable		 2zxwC-3mtvA:
19.92
2zxwJ-3mtvA:
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.
3mvu TENA FAMILY
TRANSCRIPTIONAL
REGULATOR

(Ruegeria sp.
TM1040) 		PF03070
(TENA_THI-4) 		4 LEU A 204
PHE A 208
LEU A 187
PHE A 195
 None
None
None
EDO  A 231 (-3.8A)
 0.90A 2zxwC-3mvuA:
undetectable
2zxwJ-3mvuA:
undetectable		 2zxwC-3mvuA:
20.30
2zxwJ-3mvuA:
14.75
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.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		4 LEU A  15
GLN A  16
PHE A  19
LEU A  66
 None
 0.58A 2zxwC-3nbuA:
undetectable
2zxwJ-3nbuA:
undetectable		 2zxwC-3nbuA:
18.63
2zxwJ-3nbuA:
8.47
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.
3ocj PUTATIVE EXPORTED
PROTEIN

(Bordetella
parapertussis) 		PF13847
(Methyltransf_31) 		4 LEU A 252
GLN A 251
PHE A 254
LEU A  44
 None
None
GOL  A 303 ( 4.4A)
None
 0.91A 2zxwC-3ocjA:
undetectable
2zxwJ-3ocjA:
undetectable		 2zxwC-3ocjA:
23.24
2zxwJ-3ocjA:
11.22
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.
3on4 TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Legionella
pneumophila) 		PF00440
(TetR_N) 		4 LYS A  82
GLN A  86
PHE A  89
LEU A 135
 None
 0.96A 2zxwC-3on4A:
undetectable
2zxwJ-3on4A:
undetectable		 2zxwC-3on4A:
19.85
2zxwJ-3on4A:
16.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opb SWI5-DEPENDENT HO
EXPRESSION PROTEIN 4

(Saccharomyces
cerevisiae) 		PF11701
(UNC45-central) 		4 LEU A 295
GLN A 294
LEU A 271
PHE A 267
 None
 0.91A 2zxwC-3opbA:
undetectable
2zxwJ-3opbA:
undetectable		 2zxwC-3opbA:
14.10
2zxwJ-3opbA:
5.23
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.
3pl0 UNCHARACTERIZED
PROTEIN

(Methylibium
petroleiphilum) 		PF10014
(2OG-Fe_Oxy_2) 		4 LEU A  15
GLN A  16
LEU A 129
PHE A 130
 None
 0.88A 2zxwC-3pl0A:
undetectable
2zxwJ-3pl0A:
undetectable		 2zxwC-3pl0A:
21.36
2zxwJ-3pl0A:
11.42
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.
3q8i ODORANT BINDING
PROTEIN

(Anopheles
gambiae) 		PF01395
(PBP_GOBP) 		4 LEU A  44
PHE A  21
LEU A  31
PHE A  36
 None
 0.99A 2zxwC-3q8iA:
undetectable
2zxwJ-3q8iA:
undetectable		 2zxwC-3q8iA:
17.72
2zxwJ-3q8iA:
21.24
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.
3qc5 PLATELET BINDING
PROTEIN GSPB

(Streptococcus
gordonii) 		no annotation 4 LYS X 466
LEU X 465
GLN X 464
LEU X 434
 None
None
None
NA  X 609 (-4.7A)
 0.99A 2zxwC-3qc5X:
undetectable
2zxwJ-3qc5X:
undetectable		 2zxwC-3qc5X:
19.45
2zxwJ-3qc5X:
10.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qqz PUTATIVE
UNCHARACTERIZED
PROTEIN YJIK

(Escherichia
coli) 		PF06977
(SdiA-regulated) 		4 LEU A 234
GLN A 235
PHE A 238
LEU A 255
 None
 0.94A 2zxwC-3qqzA:
undetectable
2zxwJ-3qqzA:
undetectable		 2zxwC-3qqzA:
22.58
2zxwJ-3qqzA:
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.
3rd5 MYPAA.01249.C

(Mycobacterium
avium) 		PF00106
(adh_short) 		4 ARG A 131
LEU A 191
PHE A 246
LEU A 241
 None
 0.98A 2zxwC-3rd5A:
undetectable
2zxwJ-3rd5A:
undetectable		 2zxwC-3rd5A:
21.79
2zxwJ-3rd5A:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s98 INTERFERON
ALPHA/BETA RECEPTOR
1

(Homo sapiens) 		PF01108
(Tissue_fac)
PF09294
(Interfer-bind) 		5 LYS A 220
LEU A 219
GLN A 263
LEU A 278
PHE A 297
 None
 1.20A 2zxwC-3s98A:
undetectable
2zxwJ-3s98A:
undetectable		 2zxwC-3s98A:
20.62
2zxwJ-3s98A:
12.12
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.
3u58 TETRAHYMENA TEB1 AB

(Tetrahymena
thermophila) 		PF01336
(tRNA_anti-codon) 		4 LYS A 457
LEU A 456
GLN A 455
LEU A 389
 None
 0.89A 2zxwC-3u58A:
undetectable
2zxwJ-3u58A:
undetectable		 2zxwC-3u58A:
21.88
2zxwJ-3u58A:
18.13
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.
3zhr MULTIFUNCTIONAL
2-OXOGLUTARATE
METABOLISM ENZYME

(Mycolicibacterium
smegmatis) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 LEU A1146
GLN A1142
LEU A1184
PHE A1192
 None
MPD  A2228 (-3.2A)
None
None
 0.98A 2zxwC-3zhrA:
undetectable
2zxwJ-3zhrA:
undetectable		 2zxwC-3zhrA:
14.22
2zxwJ-3zhrA:
6.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a8e PROBABLE TYROSINE
RECOMBINASE
XERC-LIKE

(Pyrococcus
abyssi) 		PF00589
(Phage_integrase)
PF02899
(Phage_int_SAM_1) 		4 ARG A 184
LEU A 181
LEU A 191
PHE A 192
 None
 0.83A 2zxwC-4a8eA:
undetectable
2zxwJ-4a8eA:
undetectable		 2zxwC-4a8eA:
19.68
2zxwJ-4a8eA:
12.25
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.
4aqq L2 PROTEIN III
(PENTON BASE)

(Human
mastadenovirus
B) 		PF01686
(Adeno_Penton_B) 		4 LYS A 124
LEU A 123
GLN A 122
LEU A 414
 None
 1.00A 2zxwC-4aqqA:
undetectable
2zxwJ-4aqqA:
undetectable		 2zxwC-4aqqA:
19.73
2zxwJ-4aqqA:
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.
4bju N-ACETYLGLUCOSAMINE-
PHOSPHATE MUTASE

(Aspergillus
fumigatus) 		PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I) 		4 LEU A 414
GLN A 415
LEU A 320
PHE A 316
 None
 0.86A 2zxwC-4bjuA:
undetectable
2zxwJ-4bjuA:
undetectable		 2zxwC-4bjuA:
16.94
2zxwJ-4bjuA:
9.47
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.
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		4 GLN A2252
PHE A2251
LEU A2196
PHE A2192
 None
 0.81A 2zxwC-4c0dA:
2.5
2zxwJ-4c0dA:
undetectable		 2zxwC-4c0dA:
14.62
2zxwJ-4c0dA:
5.38
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.
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		4 LEU A1975
GLN A1976
LEU A2026
PHE A2034
 None
 0.90A 2zxwC-4c0dA:
2.5
2zxwJ-4c0dA:
undetectable		 2zxwC-4c0dA:
14.62
2zxwJ-4c0dA:
5.38
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.
4crs SERINE/THREONINE-PRO
TEIN KINASE N2

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		4 GLN A 728
PHE A 727
LEU A 723
PHE A 709
 None
 0.97A 2zxwC-4crsA:
undetectable
2zxwJ-4crsA:
undetectable		 2zxwC-4crsA:
20.63
2zxwJ-4crsA:
12.54
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.
4dvy CYTOTOXICITY-ASSOCIA
TED IMMUNODOMINANT
ANTIGEN

(Helicobacter
pylori) 		no annotation 4 LEU P  30
GLN P  31
PHE P  34
PHE P 219
 None
 1.00A 2zxwC-4dvyP:
4.0
2zxwJ-4dvyP:
undetectable		 2zxwC-4dvyP:
13.39
2zxwJ-4dvyP:
5.03
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.
4ebr UBIQUITIN-LIKE-CONJU
GATING ENZYME ATG10

(Saccharomyces
cerevisiae) 		PF03987
(Autophagy_act_C) 		4 LYS A  35
LEU A  11
GLN A  12
LEU A  67
 None
 0.96A 2zxwC-4ebrA:
undetectable
2zxwJ-4ebrA:
undetectable		 2zxwC-4ebrA:
20.88
2zxwJ-4ebrA:
17.45
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.
4eco UNCHARACTERIZED
PROTEIN

(Bacteroides
eggerthii) 		no annotation 4 LYS A 613
LEU A 614
LEU A 628
PHE A 652
 None
 0.85A 2zxwC-4ecoA:
undetectable
2zxwJ-4ecoA:
undetectable		 2zxwC-4ecoA:
16.35
2zxwJ-4ecoA:
6.14
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.
4eq5 DNA LIGASE

(Thermococcus
sibiricus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 LEU A 534
GLN A 523
PHE A 532
LEU A 440
 None
 0.81A 2zxwC-4eq5A:
undetectable
2zxwJ-4eq5A:
undetectable		 2zxwC-4eq5A:
16.64
2zxwJ-4eq5A:
9.26
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.
4flx DNA POLYMERASE 1

(Pyrococcus
abyssi) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 ARG A 266
LEU A 352
PHE A 356
LEU A 333
 ARG  A 266 ( 0.6A)
LEU  A 352 ( 0.6A)
PHE  A 356 ( 1.3A)
LEU  A 333 ( 0.6A)
 0.96A 2zxwC-4flxA:
2.6
2zxwJ-4flxA:
undetectable		 2zxwC-4flxA:
13.49
2zxwJ-4flxA:
6.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fqn MALCAVERNIN

(Homo sapiens) 		PF16545
(CCM2_C) 		5 ARG A 354
LEU A 351
PHE A 348
LEU A 369
PHE A 365
 None
 1.44A 2zxwC-4fqnA:
undetectable
2zxwJ-4fqnA:
undetectable		 2zxwC-4fqnA:
14.18
2zxwJ-4fqnA:
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.
4gzu FERM, RHOGEF AND
PLECKSTRIN
DOMAIN-CONTAINING
PROTEIN 2

(Mus musculus) 		PF00169
(PH)
PF00621
(RhoGEF) 		4 LYS A 767
LEU A 773
GLN A 774
LEU A 821
 None
 0.94A 2zxwC-4gzuA:
4.4
2zxwJ-4gzuA:
undetectable		 2zxwC-4gzuA:
18.97
2zxwJ-4gzuA:
8.58
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.
4h5s CELL ADHESION
MOLECULE 1

(Homo sapiens) 		PF07686
(V-set) 		4 LEU B  32
GLN B  81
PHE B  79
PHE B  53
 None
 0.99A 2zxwC-4h5sB:
undetectable
2zxwJ-4h5sB:
undetectable		 2zxwC-4h5sB:
15.71
2zxwJ-4h5sB:
15.46