SIMILAR PATTERNS OF AMINO ACIDS FOR 2DYR_P_CHDP1271_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.
1914 SIGNAL RECOGNITION
PARTICLE 9/14 FUSION
PROTEIN

(Mus musculus) 		PF02290
(SRP14)
PF05486
(SRP9-21) 		4 LEU A2086
PHE A2017
LEU A2013
PHE A2009
 None
 0.86A 2dyrP-1914A:
0.8
2dyrW-1914A:
undetectable		 2dyrP-1914A:
19.40
2dyrW-1914A:
12.86
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.
1dj3 ADENYLOSUCCINATE
SYNTHETASE

(Triticum
aestivum) 		PF00709
(Adenylsucc_synt) 		4 LEU A 164
PHE A 175
LEU A 179
PHE A 183
 None
 0.67A 2dyrP-1dj3A:
undetectable
2dyrW-1dj3A:
0.0		 2dyrP-1dj3A:
19.00
2dyrW-1dj3A:
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.
1fqt RIESKE-TYPE
FERREDOXIN OF
BIPHENYL DIOXYGENASE

(Paraburkholderia
xenovorans) 		PF00355
(Rieske) 		4 LYS A  87
LEU A  86
PHE A  70
LEU A  50
 None
 0.93A 2dyrP-1fqtA:
undetectable
2dyrW-1fqtA:
undetectable		 2dyrP-1fqtA:
15.48
2dyrW-1fqtA:
18.69
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.
1ji6 PESTICIDIAL CRYSTAL
PROTEIN CRY3BB

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		4 LEU A 137
GLN A 138
PHE A 141
PHE A 178
 None
 0.91A 2dyrP-1ji6A:
3.0
2dyrW-1ji6A:
0.0		 2dyrP-1ji6A:
19.52
2dyrW-1ji6A:
7.62
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.
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
 0.86A 2dyrP-1jkwA:
undetectable
2dyrW-1jkwA:
0.0		 2dyrP-1jkwA:
20.52
2dyrW-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.
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
 0.88A 2dyrP-1kkcA:
2.2
2dyrW-1kkcA:
undetectable		 2dyrP-1kkcA:
19.93
2dyrW-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.
1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU B 570
GLN B 571
PHE B 574
PHE B 592
 None
 0.55A 2dyrP-1ovlB:
undetectable
2dyrW-1ovlB:
0.0		 2dyrP-1ovlB:
19.94
2dyrW-1ovlB:
11.79
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.
1snx TYROSINE-PROTEIN
KINASE ITK/TSK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 LEU A 418
GLN A 420
PHE A 501
LEU A 473
 None
 0.79A 2dyrP-1snxA:
1.3
2dyrW-1snxA:
undetectable		 2dyrP-1snxA:
19.44
2dyrW-1snxA:
16.92
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.
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
 0.86A 2dyrP-1u8vA:
3.8
2dyrW-1u8vA:
0.0		 2dyrP-1u8vA:
19.70
2dyrW-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.
1vku ACYL CARRIER PROTEIN

(Thermotoga
maritima) 		PF00550
(PP-binding) 		4 LEU A  70
PHE A  48
LEU A  44
PHE A  36
 None
 0.82A 2dyrP-1vkuA:
undetectable
2dyrW-1vkuA:
undetectable		 2dyrP-1vkuA:
13.64
2dyrW-1vkuA:
17.65
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		4 LEU A  66
GLN A  65
LEU A  94
PHE A 132
 None
 0.88A 2dyrP-1wb0A:
0.2
2dyrW-1wb0A:
undetectable		 2dyrP-1wb0A:
19.69
2dyrW-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.
1xho CHORISMATE MUTASE

(Ruminiclostridium
thermocellum) 		PF07736
(CM_1) 		4 ARG A  62
GLN A  24
PHE A  46
LEU A  71
 None
 0.86A 2dyrP-1xhoA:
undetectable
2dyrW-1xhoA:
undetectable		 2dyrP-1xhoA:
17.72
2dyrW-1xhoA:
17.65
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.
1zes PHOSPHATE REGULON
TRANSCRIPTIONAL
REGULATORY PROTEIN
PHOB

(Escherichia
coli) 		PF00072
(Response_reg) 		4 LEU A  42
GLN A  41
PHE A  64
LEU A  68
 None
 0.88A 2dyrP-1zesA:
undetectable
2dyrW-1zesA:
undetectable		 2dyrP-1zesA:
16.80
2dyrW-1zesA:
20.16
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.
2buk COAT PROTEIN

(unidentified
tobacco
necrosis virus) 		PF03898
(TNV_CP) 		4 LEU A 174
GLN A  45
PHE A 172
PHE A  90
 None
 0.84A 2dyrP-2bukA:
undetectable
2dyrW-2bukA:
undetectable		 2dyrP-2bukA:
21.37
2dyrW-2bukA:
15.54
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.
2fnu AMINOTRANSFERASE

(Helicobacter
pylori) 		PF01041
(DegT_DnrJ_EryC1) 		4 LEU A 243
GLN A 242
PHE A  37
LEU A  41
 None
 0.84A 2dyrP-2fnuA:
undetectable
2dyrW-2fnuA:
undetectable		 2dyrP-2fnuA:
20.38
2dyrW-2fnuA:
10.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2haj DNA PRIMASE

(Escherichia
coli) 		PF08278
(DnaG_DnaB_bind) 		4 LEU A 454
PHE A 535
LEU A 539
PHE A 543
 None
 0.79A 2dyrP-2hajA:
undetectable
2dyrW-2hajA:
undetectable		 2dyrP-2hajA:
19.01
2dyrW-2hajA:
16.89
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.
2ibd POSSIBLE
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
jostii) 		PF00440
(TetR_N) 		4 LEU A 131
PHE A 135
PHE A  74
LEU A  70
 None
 0.87A 2dyrP-2ibdA:
undetectable
2dyrW-2ibdA:
undetectable		 2dyrP-2ibdA:
24.73
2dyrW-2ibdA:
12.75
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.
2nt8 COBALAMIN
ADENOSYLTRANSFERASE

(Lactobacillus
reuteri) 		PF01923
(Cob_adeno_trans) 		4 LEU A  95
PHE A 154
LEU A 158
PHE A 162
 None
 0.85A 2dyrP-2nt8A:
2.7
2dyrW-2nt8A:
undetectable		 2dyrP-2nt8A:
21.30
2dyrW-2nt8A:
12.11
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.
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
 0.65A 2dyrP-2optA:
3.1
2dyrW-2optA:
undetectable		 2dyrP-2optA:
23.19
2dyrW-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
 0.72A 2dyrP-2otnA:
undetectable
2dyrW-2otnA:
undetectable		 2dyrP-2otnA:
21.78
2dyrW-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.
2p1n SKP1-LIKE PROTEIN 1A
TRANSPORT INHIBITOR
RESPONSE 1 PROTEIN

(Arabidopsis
thaliana;
Arabidopsis
thaliana) 		PF01466
(Skp1)
PF03931
(Skp1_POZ)
PF12937
(F-box-like) 		4 PHE A  99
PHE B   9
LEU B  14
PHE B  18
 None
 0.90A 2dyrP-2p1nA:
undetectable
2dyrW-2p1nA:
undetectable		 2dyrP-2p1nA:
18.58
2dyrW-2p1nA:
23.02
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.
2pn1 CARBAMOYLPHOSPHATE
SYNTHASE LARGE
SUBUNIT

(Exiguobacterium
sibiricum) 		PF02655
(ATP-grasp_3) 		4 LEU A 289
GLN A 288
PHE A  21
LEU A  76
 None
 0.82A 2dyrP-2pn1A:
undetectable
2dyrW-2pn1A:
undetectable		 2dyrP-2pn1A:
20.12
2dyrW-2pn1A:
9.61
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.
2qp2 UNKNOWN PROTEIN

(Photorhabdus
laumondii) 		PF01823
(MACPF) 		5 LYS A 335
LEU A 338
PHE A 342
PHE A 195
LEU A 194
 None
 1.30A 2dyrP-2qp2A:
undetectable
2dyrW-2qp2A:
undetectable		 2dyrP-2qp2A:
18.59
2dyrW-2qp2A:
7.05
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.
2vwa PUTATIVE
UNCHARACTERIZED
PROTEIN PF13_0012

(Plasmodium
falciparum) 		PF11567
(PfUIS3) 		4 LYS A 213
LEU A 216
GLN A 217
PHE A 167
 None
 0.91A 2dyrP-2vwaA:
undetectable
2dyrW-2vwaA:
undetectable		 2dyrP-2vwaA:
12.17
2dyrW-2vwaA:
20.43
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.
2xt6 2-OXOGLUTARATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00198
(2-oxoacid_dh)
PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 LEU A1146
GLN A1142
PHE A1180
LEU A1184
 None
 0.92A 2dyrP-2xt6A:
undetectable
2dyrW-2xt6A:
undetectable		 2dyrP-2xt6A:
12.79
2dyrW-2xt6A:
4.88
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.
3ba3 PYRIDOXAMINE
5'-PHOSPHATE
OXIDASE-LIKE PROTEIN

(Lactobacillus
plantarum) 		no annotation 4 LEU A 123
PHE A 121
PHE A  45
LEU A  18
 None
 0.93A 2dyrP-3ba3A:
undetectable
2dyrW-3ba3A:
undetectable		 2dyrP-3ba3A:
21.19
2dyrW-3ba3A:
18.71
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.
3dqv CULLIN-5

(Homo sapiens) 		PF00888
(Cullin)
PF10557
(Cullin_Nedd8) 		4 LEU C1600
GLN C1599
PHE C1598
LEU C1551
 None
 0.86A 2dyrP-3dqvC:
undetectable
2dyrW-3dqvC:
undetectable		 2dyrP-3dqvC:
20.37
2dyrW-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.
3g1z PUTATIVE LYSYL-TRNA
SYNTHETASE

(Salmonella
enterica) 		PF00152
(tRNA-synt_2) 		5 ARG A 188
LEU A 192
GLN A 193
PHE A 196
PHE A 153
 None
 0.91A 2dyrP-3g1zA:
undetectable
2dyrW-3g1zA:
undetectable		 2dyrP-3g1zA:
20.94
2dyrW-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.
3gaj COBALAMIN
ADENOSYLTRANSFERASE
PDUO-LIKE PROTEIN

(Lactobacillus
reuteri) 		PF01923
(Cob_adeno_trans) 		4 LEU A  95
PHE A 154
LEU A 158
PHE A 162
 None
 0.85A 2dyrP-3gajA:
2.7
2dyrW-3gajA:
undetectable		 2dyrP-3gajA:
21.16
2dyrW-3gajA:
14.52
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.
3hjr EXTRACELLULAR SERINE
PROTEASE

(Aeromonas
sobria) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 LEU A 196
GLN A 193
PHE A 200
LEU A 162
 None
 0.91A 2dyrP-3hjrA:
undetectable
2dyrW-3hjrA:
undetectable		 2dyrP-3hjrA:
17.67
2dyrW-3hjrA:
6.00
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.
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
 0.69A 2dyrP-3hrtA:
undetectable
2dyrW-3hrtA:
undetectable		 2dyrP-3hrtA:
18.61
2dyrW-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.
3i3t UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 21

(Homo sapiens) 		PF00443
(UCH) 		4 LYS A 379
LEU A 378
GLN A 453
PHE A 397
 None
 0.83A 2dyrP-3i3tA:
undetectable
2dyrW-3i3tA:
undetectable		 2dyrP-3i3tA:
21.07
2dyrW-3i3tA:
9.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 LEU A 230
PHE A 151
LEU A 155
PHE A 159
 None
 0.92A 2dyrP-3iv0A:
undetectable
2dyrW-3iv0A:
undetectable		 2dyrP-3iv0A:
20.57
2dyrW-3iv0A:
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.
3kwp PREDICTED
METHYLTRANSFERASE

(Lactobacillus
brevis) 		PF00590
(TP_methylase) 		4 LYS A 177
LEU A 180
GLN A 181
LEU A 195
 None
 0.90A 2dyrP-3kwpA:
undetectable
2dyrW-3kwpA:
undetectable		 2dyrP-3kwpA:
20.92
2dyrW-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.
3lcr TAUTOMYCETIN
BIOSYNTHETIC PKS

(Streptomyces
sp. CK4412) 		PF00975
(Thioesterase) 		4 LEU A 229
PHE A 174
LEU A 178
PHE A 182
 None
 0.88A 2dyrP-3lcrA:
undetectable
2dyrW-3lcrA:
undetectable		 2dyrP-3lcrA:
20.45
2dyrW-3lcrA:
9.09
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.
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
 0.89A 2dyrP-3mtvA:
undetectable
2dyrW-3mtvA:
undetectable		 2dyrP-3mtvA:
19.92
2dyrW-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.
3nbu GLUCOSE-6-PHOSPHATE
ISOMERASE

(Escherichia
coli) 		PF00342
(PGI) 		4 LEU A  15
GLN A  16
PHE A  19
LEU A  66
 None
 0.57A 2dyrP-3nbuA:
undetectable
2dyrW-3nbuA:
undetectable		 2dyrP-3nbuA:
18.63
2dyrW-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.
3nhe UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 2

(Homo sapiens) 		PF00443
(UCH) 		4 LYS A 420
LEU A 419
GLN A 492
PHE A 438
 None
 0.91A 2dyrP-3nheA:
undetectable
2dyrW-3nheA:
undetectable		 2dyrP-3nheA:
20.23
2dyrW-3nheA:
10.64
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.
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
 0.90A 2dyrP-3ocjA:
undetectable
2dyrW-3ocjA:
undetectable		 2dyrP-3ocjA:
23.24
2dyrW-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
 0.89A 2dyrP-3on4A:
2.4
2dyrW-3on4A:
undetectable		 2dyrP-3on4A:
19.85
2dyrW-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.
3oqq PUTATIVE LIPOPROTEIN

(Bacteroides
ovatus) 		PF16129
(DUF4841)
PF16130
(DUF4842) 		4 LEU A 214
PHE A 152
PHE A 173
LEU A 201
 None
 0.92A 2dyrP-3oqqA:
undetectable
2dyrW-3oqqA:
undetectable		 2dyrP-3oqqA:
20.13
2dyrW-3oqqA:
10.65
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.
3pl0 UNCHARACTERIZED
PROTEIN

(Methylibium
petroleiphilum) 		PF10014
(2OG-Fe_Oxy_2) 		4 LEU A  15
GLN A  16
LEU A 129
PHE A 130
 None
 0.80A 2dyrP-3pl0A:
undetectable
2dyrW-3pl0A:
undetectable		 2dyrP-3pl0A:
21.36
2dyrW-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.
3u58 TETRAHYMENA TEB1 AB

(Tetrahymena
thermophila) 		PF01336
(tRNA_anti-codon) 		4 LYS A 457
LEU A 456
GLN A 455
LEU A 389
 None
 0.88A 2dyrP-3u58A:
undetectable
2dyrW-3u58A:
undetectable		 2dyrP-3u58A:
21.88
2dyrW-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
PHE A1180
LEU A1184
 None
MPD  A2228 (-3.2A)
None
None
 0.90A 2dyrP-3zhrA:
undetectable
2dyrW-3zhrA:
undetectable		 2dyrP-3zhrA:
14.22
2dyrW-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.
4a4y PROTEIN MXIG

(Shigella
flexneri) 		PF09480
(PrgH) 		4 LYS A 106
LEU A 105
PHE A 103
PHE A  79
 None
 0.67A 2dyrP-4a4yA:
undetectable
2dyrW-4a4yA:
undetectable		 2dyrP-4a4yA:
19.17
2dyrW-4a4yA:
16.54
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.
4c0d CCR4-NOT
TRANSCRIPTION
COMPLEX SUBUNIT 1

(Homo sapiens) 		PF04054
(Not1) 		4 LEU A1975
GLN A1976
LEU A2026
PHE A2034
 None
 0.92A 2dyrP-4c0dA:
2.6
2dyrW-4c0dA:
undetectable		 2dyrP-4c0dA:
14.62
2dyrW-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.
4c8q DNA TOPOISOMERASE
2-ASSOCIATED PROTEIN
PAT1

(Saccharomyces
cerevisiae) 		PF09770
(PAT1) 		4 LEU H 562
PHE H 587
LEU H 527
PHE H 523
 None
 0.73A 2dyrP-4c8qH:
undetectable
2dyrW-4c8qH:
undetectable		 2dyrP-4c8qH:
19.40
2dyrW-4c8qH:
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.
4cn8 PROXIMAL THREAD
MATRIX PROTEIN 1

(Mytilus
galloprovincialis) 		PF00092
(VWA) 		4 LYS A 234
LEU A 233
PHE A  79
LEU A  83
 None
 0.91A 2dyrP-4cn8A:
undetectable
2dyrW-4cn8A:
undetectable		 2dyrP-4cn8A:
20.00
2dyrW-4cn8A:
7.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.82A 2dyrP-4eq5A:
undetectable
2dyrW-4eq5A:
undetectable		 2dyrP-4eq5A:
16.64
2dyrW-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)
 0.91A 2dyrP-4flxA:
2.6
2dyrW-4flxA:
undetectable		 2dyrP-4flxA:
13.49
2dyrW-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.
4hl6 UNCHARACTERIZED
PROTEIN YFDE

(Escherichia
coli) 		PF02515
(CoA_transf_3) 		5 LYS A 291
LEU A 290
GLN A 287
PHE A 277
LEU A 271
 None
 1.44A 2dyrP-4hl6A:
undetectable
2dyrW-4hl6A:
undetectable		 2dyrP-4hl6A:
21.79
2dyrW-4hl6A:
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.
4hqf THROMBOSPONDIN-RELAT
ED ANONYMOUS
PROTEIN, TRAP

(Plasmodium
falciparum) 		PF00092
(VWA) 		5 ARG A 176
LEU A 172
GLN A 169
PHE A 198
LEU A 202
 None
 1.22A 2dyrP-4hqfA:
undetectable
2dyrW-4hqfA:
undetectable		 2dyrP-4hqfA:
20.74
2dyrW-4hqfA:
10.11
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.
4hqf THROMBOSPONDIN-RELAT
ED ANONYMOUS
PROTEIN, TRAP

(Plasmodium
falciparum) 		PF00092
(VWA) 		5 ARG A 176
LYS A 173
LEU A 172
PHE A 198
LEU A 202
 None
 1.13A 2dyrP-4hqfA:
undetectable
2dyrW-4hqfA:
undetectable		 2dyrP-4hqfA:
20.74
2dyrW-4hqfA:
10.11
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.
4i1s MELANOMA
DIFFERENTIATION
ASSOCIATED PROTEIN-5

(Sus scrofa) 		PF00271
(Helicase_C) 		4 LYS A 681
LEU A 684
PHE A 549
LEU A 553
 None
 0.60A 2dyrP-4i1sA:
2.3
2dyrW-4i1sA:
undetectable		 2dyrP-4i1sA:
19.63
2dyrW-4i1sA:
13.27
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.
4jgv NUCLEAR RECEPTOR
SUBFAMILY 4 GROUP A
MEMBER 1

(Homo sapiens) 		PF00104
(Hormone_recep) 		4 LEU A 570
GLN A 571
PHE A 574
PHE A 592
 None
GOL  A 605 ( 4.0A)
None
None
 0.78A 2dyrP-4jgvA:
undetectable
2dyrW-4jgvA:
undetectable		 2dyrP-4jgvA:
21.99
2dyrW-4jgvA:
13.93
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.
4lgc BILE ACID-COENZYME A
LIGASE

([Clostridium]
scindens) 		PF00501
(AMP-binding) 		4 LEU A  36
GLN A  35
PHE A 103
LEU A  66
 None
 0.78A 2dyrP-4lgcA:
undetectable
2dyrW-4lgcA:
undetectable		 2dyrP-4lgcA:
18.48
2dyrW-4lgcA:
7.86
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.
4lgl GLYCINE
DEHYDROGENASE
[DECARBOXYLATING]

(Synechocystis
sp. PCC 6803) 		PF02347
(GDC-P) 		4 LYS A 376
LEU A 375
PHE A 291
PHE A 497
 None
 0.84A 2dyrP-4lglA:
undetectable
2dyrW-4lglA:
undetectable		 2dyrP-4lglA:
13.79
2dyrW-4lglA:
4.62
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.
4n6q VOSA

(Aspergillus
nidulans) 		PF11754
(Velvet) 		4 LYS A 132
LEU A 131
PHE A 129
LEU A 121
 None
 0.86A 2dyrP-4n6qA:
undetectable
2dyrW-4n6qA:
undetectable		 2dyrP-4n6qA:
22.18
2dyrW-4n6qA:
16.48
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.
4oca UDP-4-AMINO-4-DEOXY-
L-ARABINOSE--OXOGLUT
ARATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF01041
(DegT_DnrJ_EryC1) 		4 LEU A 256
GLN A 255
PHE A  48
LEU A  51
 None
 0.86A 2dyrP-4ocaA:
undetectable
2dyrW-4ocaA:
undetectable		 2dyrP-4ocaA:
21.12
2dyrW-4ocaA:
10.46
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.
4q62 LEUCINE-RICH
REPEAT-AND COILED
COIL-CONTAINING
PROTEIN

(Legionella
pneumophila) 		PF13855
(LRR_8) 		5 LYS A 159
LEU A 161
PHE A 179
PHE A 164
LEU A 136
 None
 1.45A 2dyrP-4q62A:
undetectable
2dyrW-4q62A:
undetectable		 2dyrP-4q62A:
18.18
2dyrW-4q62A:
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.
4r0m MCYG PROTEIN

(Microcystis
aeruginosa) 		no annotation 4 LEU B  75
PHE B  83
LEU B  87
PHE B  91
 None
 0.72A 2dyrP-4r0mB:
undetectable
2dyrW-4r0mB:
undetectable		 2dyrP-4r0mB:
17.42
2dyrW-4r0mB:
7.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rnc ESTERASE

(Rhodococcus sp.
ECU1013) 		PF12697
(Abhydrolase_6) 		4 ARG A 196
LEU A 163
PHE A 185
LEU A 189
 None
 0.82A 2dyrP-4rncA:
undetectable
2dyrW-4rncA:
undetectable		 2dyrP-4rncA:
21.32
2dyrW-4rncA:
10.39
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.
4tuf MAJOR EXTRACELLULAR
ENDOGLUCANASE

(Xanthomonas
campestris) 		PF00150
(Cellulase) 		4 LYS A  45
LEU A  44
GLN A  43
LEU A 175
 None
 0.92A 2dyrP-4tufA:
undetectable
2dyrW-4tufA:
undetectable		 2dyrP-4tufA:
21.01
2dyrW-4tufA:
10.65
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.
4u1d EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT A

(Saccharomyces
cerevisiae) 		no annotation 4 LYS C 364
LEU C 367
GLN C 368
PHE C 329
 None
 0.93A 2dyrP-4u1dC:
2.2
2dyrW-4u1dC:
undetectable		 2dyrP-4u1dC:
18.18
2dyrW-4u1dC:
7.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ud4 POLY(A) RNA
POLYMERASE PROTEIN
CID1

(Schizosaccharomyces
pombe) 		PF01909
(NTP_transf_2)
PF03828
(PAP_assoc) 		5 LYS A 144
LEU A 145
GLN A 158
LEU A 125
PHE A 121
 None
 1.00A 2dyrP-4ud4A:
undetectable
2dyrW-4ud4A:
undetectable		 2dyrP-4ud4A:
19.95
2dyrW-4ud4A:
10.26
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.
4wlp UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE ISOZYME L5
NUCLEAR FACTOR
RELATED TO
KAPPA-B-BINDING
PROTEIN

(Homo sapiens;
Homo sapiens) 		PF01088
(Peptidase_C12)
no annotation 		4 LEU B  70
GLN B  71
PHE A 294
LEU A 298
 None
 0.82A 2dyrP-4wlpB:
undetectable
2dyrW-4wlpB:
undetectable		 2dyrP-4wlpB:
17.50
2dyrW-4wlpB:
19.05
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.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		4 LEU A 334
GLN A 335
LEU A 503
PHE A 499
 None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
 0.80A 2dyrP-4wn9A:
undetectable
2dyrW-4wn9A:
undetectable		 2dyrP-4wn9A:
17.15
2dyrW-4wn9A:
8.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		4 LYS A 331
LEU A 334
LEU A 503
PHE A 499
 None
None
XE  A 604 ( 4.2A)
XE  A 604 (-3.8A)
 0.65A 2dyrP-4wn9A:
undetectable
2dyrW-4wn9A:
undetectable		 2dyrP-4wn9A:
17.15
2dyrW-4wn9A:
8.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x00 PUTATIVE HYDROLASE

(Burkholderia
cenocepacia) 		PF12697
(Abhydrolase_6) 		4 LEU A  59
GLN A  60
LEU A 273
PHE A 269
 None
 0.76A 2dyrP-4x00A:
undetectable
2dyrW-4x00A:
undetectable		 2dyrP-4x00A:
21.50
2dyrW-4x00A:
12.01
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.
4y99 TROPONIN T, CARDIAC
MUSCLE

(Homo sapiens) 		PF00992
(Troponin) 		4 LYS B 247
LEU B 250
GLN B 251
PHE B 254
 None
 0.50A 2dyrP-4y99B:
undetectable
2dyrW-4y99B:
2.4		 2dyrP-4y99B:
15.56
2dyrW-4y99B:
16.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a7d INSCUTEABLE

(Drosophila
melanogaster) 		no annotation 4 LEU L 356
GLN L 357
PHE L 399
LEU L 403
 None
 0.75A 2dyrP-5a7dL:
6.6
2dyrW-5a7dL:
undetectable		 2dyrP-5a7dL:
19.25
2dyrW-5a7dL:
10.06
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.
5a7v PUTATIVE GLYCOSIDASE
PH117-RELATED

(Bacteroides
thetaiotaomicron) 		PF04041
(Glyco_hydro_130) 		4 LYS B 253
LEU B 254
PHE B 317
PHE B 309
 None
 0.85A 2dyrP-5a7vB:
undetectable
2dyrW-5a7vB:
undetectable		 2dyrP-5a7vB:
20.78
2dyrW-5a7vB:
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.
5ady GTPASE HFLX

(Escherichia
coli) 		PF01926
(MMR_HSR1)
PF13167
(GTP-bdg_N)
PF16360
(GTP-bdg_M) 		4 LEU 6 402
GLN 6 403
PHE 6 383
LEU 6 379
 None
 0.79A 2dyrP-5ady6:
3.1
2dyrW-5ady6:
undetectable		 2dyrP-5ady6:
18.29
2dyrW-5ady6:
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.
5aox SIGNAL RECOGNITION
PARTICLE 14 KDA
PROTEIN

(Homo sapiens) 		PF02290
(SRP14) 		4 LEU B  86
PHE B  17
LEU B  13
PHE B   9
 None
 0.84A 2dyrP-5aoxB:
undetectable
2dyrW-5aoxB:
undetectable		 2dyrP-5aoxB:
17.86
2dyrW-5aoxB:
23.40
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.
5boi GERMINATION PROTEIN
YPEB

(Bacillus
megaterium) 		PF03413
(PepSY)
PF14620
(YPEB) 		4 LYS A 438
LEU A 439
GLN A 440
LEU A 414
 None
 0.89A 2dyrP-5boiA:
undetectable
2dyrW-5boiA:
undetectable		 2dyrP-5boiA:
20.21
2dyrW-5boiA:
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.
5bza BETA-N-ACETYLHEXOSAM
INIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3) 		4 GLN A 460
PHE A 459
PHE A 378
LEU A 343
 None
 0.83A 2dyrP-5bzaA:
undetectable
2dyrW-5bzaA:
undetectable		 2dyrP-5bzaA:
17.12
2dyrW-5bzaA:
10.24
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.
5bza BETA-N-ACETYLHEXOSAM
INIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3) 		4 LEU A 463
GLN A 460
PHE A 378
LEU A 343
 None
 0.87A 2dyrP-5bzaA:
undetectable
2dyrW-5bzaA:
undetectable		 2dyrP-5bzaA:
17.12
2dyrW-5bzaA:
10.24
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.
5c9h TELOMERASE REVERSE
TRANSCRIPTASE

(Tetrahymena
thermophila) 		PF12009
(Telomerase_RBD) 		4 GLN A 382
PHE A 379
LEU A 405
PHE A 401
 None
 0.81A 2dyrP-5c9hA:
undetectable
2dyrW-5c9hA:
undetectable		 2dyrP-5c9hA:
18.61
2dyrW-5c9hA:
11.36
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.
5cww NUCLEOPORIN NUP82
NUCLEOPORIN NUP159

(Chaetomium
thermophilum;
Chaetomium
thermophilum) 		no annotation
no annotation 		4 ARG C1447
LYS C1448
LEU C1451
LEU B 425
 None
 0.91A 2dyrP-5cwwC:
undetectable
2dyrW-5cwwC:
undetectable		 2dyrP-5cwwC:
8.89
2dyrW-5cwwC:
18.64
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.
5dlq EXPORTIN-4

(Mus musculus) 		no annotation 4 LEU B 206
GLN B 207
PHE B 223
LEU B 227
 None
 0.76A 2dyrP-5dlqB:
4.4
2dyrW-5dlqB:
undetectable		 2dyrP-5dlqB:
12.00
2dyrW-5dlqB:
4.31
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.
5du9 CDA PEPTIDE
SYNTHETASE I

(Streptomyces
coelicolor) 		PF00668
(Condensation) 		4 LEU A 423
GLN A 424
PHE A 427
LEU A 229
 None
 0.75A 2dyrP-5du9A:
undetectable
2dyrW-5du9A:
undetectable		 2dyrP-5du9A:
20.97
2dyrW-5du9A:
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.
5e6g DE NOVO DESIGNED
PROTEIN CA01

(synthetic
construct) 		no annotation 4 LEU A  88
PHE A 102
LEU A 106
PHE A  81
 None
 0.81A 2dyrP-5e6gA:
3.6
2dyrW-5e6gA:
undetectable		 2dyrP-5e6gA:
19.51
2dyrW-5e6gA:
16.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g3y ADENYLATE KINSE

(synthetic
construct) 		PF00406
(ADK)
PF05191
(ADK_lid) 		4 LYS A  69
LEU A  72
PHE A  81
LEU A  83
 None
 0.87A 2dyrP-5g3yA:
undetectable
2dyrW-5g3yA:
undetectable		 2dyrP-5g3yA:
19.19
2dyrW-5g3yA:
16.27
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.
5g4q DNA POLYMERASE III
SUBUNIT BETA

(Helicobacter
pylori) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 LEU A 183
GLN A 182
LEU A 134
PHE A 138
 None
 0.72A 2dyrP-5g4qA:
undetectable
2dyrW-5g4qA:
undetectable		 2dyrP-5g4qA:
20.21
2dyrW-5g4qA:
9.36
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.
5ggy IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-COMPOUND-BINDIN
G PROTEIN

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		4 LYS A 185
LEU A 188
GLN A 189
LEU A 312
 None
 0.78A 2dyrP-5ggyA:
undetectable
2dyrW-5ggyA:
undetectable		 2dyrP-5ggyA:
20.56
2dyrW-5ggyA:
13.42
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.
5ipx ORF49 PROTEIN

(Human
gammaherpesvirus
8) 		PF04793
(Herpes_BBRF1) 		4 LEU A  87
PHE A 204
LEU A 208
PHE A 212
 None
 0.82A 2dyrP-5ipxA:
0.0
2dyrW-5ipxA:
undetectable		 2dyrP-5ipxA:
20.47
2dyrW-5ipxA:
11.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5iy5 CYTOCHROME C OXIDASE
SUBUNIT 3

(Bos taurus) 		PF00510
(COX3) 		7 ARG C 156
LYS C 157
LEU C 160
GLN C 161
PHE C 164
PHE C 219
LEU C 223
 CHD  C 307 (-4.0A)
None
CHD  C 307 ( 3.9A)
CHD  C 307 (-4.3A)
CHD  C 307 (-3.9A)
None
None
 0.51A 2dyrP-5iy5C:
37.3
2dyrW-5iy5C:
undetectable		 2dyrP-5iy5C:
100.00
2dyrW-5iy5C:
10.36
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.
5j32 3-ISOPROPYLMALATE
DEHYDROGENASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00180
(Iso_dh) 		4 LYS A  62
LEU A  65
GLN A  66
LEU A 345
 None
 0.90A 2dyrP-5j32A:
undetectable
2dyrW-5j32A:
undetectable		 2dyrP-5j32A:
21.50
2dyrW-5j32A:
10.13
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.
5jbg LGP2

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		4 LEU A 335
GLN A 336
PHE A 229
LEU A 233
 None
 0.68A 2dyrP-5jbgA:
3.0
2dyrW-5jbgA:
undetectable		 2dyrP-5jbgA:
15.81
2dyrW-5jbgA:
6.45
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.
5jbg LGP2

(Gallus gallus) 		PF00271
(Helicase_C)
PF04851
(ResIII)
PF11648
(RIG-I_C-RD) 		4 LEU A 385
PHE A 434
LEU A 432
PHE A 360
 None
 0.85A 2dyrP-5jbgA:
3.0
2dyrW-5jbgA:
undetectable		 2dyrP-5jbgA:
15.81
2dyrW-5jbgA:
6.45
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.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ARG A  82
LEU A  83
PHE A  50
LEU A  54
 None
 0.88A 2dyrP-5ju6A:
undetectable
2dyrW-5ju6A:
undetectable		 2dyrP-5ju6A:
13.89
2dyrW-5ju6A:
5.28
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.
5lsk PROTEIN MIS12
HOMOLOG
POLYAMINE-MODULATED
FACTOR 1

(Homo sapiens;
Homo sapiens) 		PF05859
(Mis12)
PF03980
(Nnf1) 		4 LEU A  78
PHE A  79
PHE B  45
LEU B  49
 None
 0.84A 2dyrP-5lskA:
undetectable
2dyrW-5lskA:
2.7		 2dyrP-5lskA:
21.82
2dyrW-5lskA:
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.
5oen INTERFERON
REGULATORY FACTOR 9

(Mus musculus) 		no annotation 4 PHE A 339
PHE A 322
LEU A 326
PHE A 330
 None
 0.89A 2dyrP-5oenA:
undetectable
2dyrW-5oenA:
undetectable		 2dyrP-5oenA:
undetectable
2dyrW-5oenA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		4 LYS A 167
LEU A 170
LEU A 130
PHE A 155
 None
 0.85A 2dyrP-5u47A:
undetectable
2dyrW-5u47A:
undetectable		 2dyrP-5u47A:
13.82
2dyrW-5u47A:
6.22
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.
5xge UNCHARACTERIZED
PROTEIN PA0861

(Pseudomonas
aeruginosa) 		no annotation 4 LYS A 699
PHE A 665
LEU A 661
PHE A 657
 None
 0.82A 2dyrP-5xgeA:
undetectable
2dyrW-5xgeA:
undetectable		 2dyrP-5xgeA:
undetectable
2dyrW-5xgeA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xgu RIBONUCLEASE R

(Escherichia
coli) 		no annotation 4 LEU B 449
GLN B 450
PHE B 411
LEU B 415
 None
 0.81A 2dyrP-5xguB:
undetectable
2dyrW-5xguB:
undetectable		 2dyrP-5xguB:
15.24
2dyrW-5xguB:
6.59
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.
5xjj MULTI DRUG EFFLUX
TRANSPORTER

(Camelina sativa) 		PF01554
(MatE) 		4 LEU A 348
PHE A 344
PHE A 380
LEU A 376
 None
 0.79A 2dyrP-5xjjA:
3.3
2dyrW-5xjjA:
undetectable		 2dyrP-5xjjA:
22.22
2dyrW-5xjjA:
8.46
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT

(Komagataella
phaffii) 		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) 		4 LEU A 868
GLN A 866
PHE A 867
LEU A1002
 None
 0.82A 2dyrP-5xogA:
3.9
2dyrW-5xogA:
undetectable		 2dyrP-5xogA:
9.55
2dyrW-5xogA:
3.28
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.
6bpc RETICULOCYTE BINDING
PROTEIN 2, PUTATIVE

(Plasmodium
vivax) 		no annotation 4 LYS A 437
LEU A 440
PHE A 388
LEU A 392
 None
 0.67A 2dyrP-6bpcA:
6.9
2dyrW-6bpcA:
undetectable		 2dyrP-6bpcA:
undetectable
2dyrW-6bpcA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d04 RETICULOCYTE BINDING
PROTEIN 2, PUTATIVE

(Plasmodium
vivax) 		no annotation 4 LYS E 437
LEU E 440
PHE E 388
LEU E 392
 None
 0.78A 2dyrP-6d04E:
5.2
2dyrW-6d04E:
1.1		 2dyrP-6d04E:
undetectable
2dyrW-6d04E:
undetectable