SIMILAR PATTERNS OF AMINO ACIDS FOR 5EF2_D_TRPD101

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.
1c7g TYROSINE
PHENOL-LYASE

(Pantoea
agglomerans) 		PF01212
(Beta_elim_lyase) 		5 ARG A 100
THR A 252
THR A 125
HIS A 129
THR A 126
 PLP  A1000 (-3.8A)
None
PLP  A1000 ( 4.5A)
None
PLP  A1000 ( 4.8A)
 1.29A 5ef2D-1c7gA:
undetectable
5ef2E-1c7gA:
undetectable		 5ef2D-1c7gA:
12.25
5ef2E-1c7gA:
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.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 THR A 417
SER A 245
GLY A 412
ALA A 510
THR A 500
 TRA  A 866 (-4.0A)
TRA  A 866 (-2.6A)
None
None
None
 1.18A 5ef2D-1l5jA:
0.0
5ef2E-1l5jA:
0.0		 5ef2D-1l5jA:
7.07
5ef2E-1l5jA:
7.07
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.
1lzx NITRIC-OXIDE
SYNTHASE

(Rattus
norvegicus) 		PF02898
(NO_synthase) 		5 THR A 591
THR A 688
HIS A 652
THR A 655
ILE A 679
 None
 1.35A 5ef2D-1lzxA:
undetectable
5ef2E-1lzxA:
undetectable		 5ef2D-1lzxA:
10.02
5ef2E-1lzxA:
10.02
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.
1m9q ENDOTHELIAL
NITRIC-OXIDE
SYNTHASE

(Homo sapiens) 		PF02898
(NO_synthase) 		5 THR A 360
THR A 457
HIS A 421
THR A 424
ILE A 448
 None
 1.34A 5ef2D-1m9qA:
undetectable
5ef2E-1m9qA:
0.0		 5ef2D-1m9qA:
9.88
5ef2E-1m9qA:
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.
1mio NITROGENASE
MOLYBDENUM IRON
PROTEIN (BETA CHAIN)

(Clostridium
pasteurianum) 		PF00148
(Oxidored_nitro) 		5 GLY B 156
ALA B 151
THR B 139
HIS B 103
THR B 137
 None
 1.33A 5ef2D-1mioB:
0.0
5ef2E-1mioB:
undetectable		 5ef2D-1mioB:
9.76
5ef2E-1mioB:
9.76
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.
1n0w DNA REPAIR PROTEIN
RAD51 HOMOLOG 1

(Homo sapiens) 		PF08423
(Rad51) 		5 SER A 121
GLY A 116
ALA A 262
THR A 123
ILE A 102
 None
MG  A 401 (-3.8A)
None
None
None
 1.28A 5ef2D-1n0wA:
0.0
5ef2E-1n0wA:
0.0		 5ef2D-1n0wA:
14.40
5ef2E-1n0wA:
14.40
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.
1ps9 2,4-DIENOYL-COA
REDUCTASE

(Escherichia
coli) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 THR A 230
GLY A 248
THR A 272
THR A 247
ILE A 249
 None
 1.40A 5ef2D-1ps9A:
undetectable
5ef2E-1ps9A:
undetectable		 5ef2D-1ps9A:
8.10
5ef2E-1ps9A:
8.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1q8f PYRIMIDINE
NUCLEOSIDE HYDROLASE

(Escherichia
coli) 		PF01156
(IU_nuc_hydro) 		5 THR A 287
GLY A 152
ALA A 174
THR A 273
ILE A 167
 None
 1.03A 5ef2D-1q8fA:
undetectable
5ef2E-1q8fA:
undetectable		 5ef2D-1q8fA:
13.50
5ef2E-1q8fA:
13.50
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.
1ry2 ACETYL-COENZYME A
SYNTHETASE 1

(Saccharomyces
cerevisiae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 THR A 344
SER A 531
HIS A 477
THR A 370
ILE A 366
 None
None
None
None
AMP  A 720 (-4.9A)
 1.31A 5ef2D-1ry2A:
undetectable
5ef2E-1ry2A:
undetectable		 5ef2D-1ry2A:
7.99
5ef2E-1ry2A:
7.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v9c PRECORRIN-8X METHYL
MUTASE

(Thermus
thermophilus) 		PF02570
(CbiC) 		5 THR A  40
GLY A 188
ALA A 196
THR A  49
THR A 183
 None
 1.21A 5ef2D-1v9cA:
undetectable
5ef2E-1v9cA:
undetectable		 5ef2D-1v9cA:
19.25
5ef2E-1v9cA:
19.25
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.
1vm7 RIBOKINASE

(Thermotoga
maritima) 		PF00294
(PfkB) 		5 ARG A  86
THR A  61
GLY A  92
THR A  91
ILE A  13
 None
 1.15A 5ef2D-1vm7A:
undetectable
5ef2E-1vm7A:
undetectable		 5ef2D-1vm7A:
12.22
5ef2E-1vm7A:
12.22
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.
1vpx PROTEIN
(TRANSALDOLASE (EC
2.2.1.2))

(Thermotoga
maritima) 		PF00923
(TAL_FSA) 		5 SER A  98
GLY A  90
ALA A 121
THR A 104
ILE A  91
 None
 1.37A 5ef2D-1vpxA:
undetectable
5ef2E-1vpxA:
undetectable		 5ef2D-1vpxA:
18.53
5ef2E-1vpxA:
18.53
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.
1vyh PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
BETA SUBUNIT

(Homo sapiens) 		PF13472
(Lipase_GDSL_2) 		5 ARG A  84
GLY A 117
HIS A  80
THR A  78
ILE A 118
 None
 1.32A 5ef2D-1vyhA:
undetectable
5ef2E-1vyhA:
undetectable		 5ef2D-1vyhA:
17.39
5ef2E-1vyhA:
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.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		5 SER A 495
GLY A  15
ALA A  23
THR A 252
ILE A  13
 None
FAD  A 803 (-3.2A)
None
FAD  A 803 (-4.6A)
None
 0.97A 5ef2D-1yy5A:
undetectable
5ef2E-1yy5A:
undetectable		 5ef2D-1yy5A:
9.73
5ef2E-1yy5A:
9.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z0f RAB14, MEMBER RAS
ONCOGENE FAMILY

(Homo sapiens) 		PF00071
(Ras) 		5 ARG A  82
GLY A  86
ALA A 109
THR A 117
ILE A 119
 None
 1.01A 5ef2D-1z0fA:
undetectable
5ef2E-1z0fA:
undetectable		 5ef2D-1z0fA:
16.57
5ef2E-1z0fA:
16.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zb7 NEUROTOXIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 THR A 271
GLY A 238
HIS A 237
THR A 172
ILE A 183
 ZN  A 500 ( 4.4A)
None
None
FLC  A 501 (-4.7A)
None
 1.19A 5ef2D-1zb7A:
undetectable
5ef2E-1zb7A:
undetectable		 5ef2D-1zb7A:
9.28
5ef2E-1zb7A:
9.28
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.
1zbr CONSERVED
HYPOTHETICAL PROTEIN

(Porphyromonas
gingivalis) 		PF04371
(PAD_porph) 		5 GLY A 326
HIS A 325
ALA A 275
THR A 211
HIS A 208
 None
 1.37A 5ef2D-1zbrA:
undetectable
5ef2E-1zbrA:
undetectable		 5ef2D-1zbrA:
11.24
5ef2E-1zbrA:
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.
1zwx SPHINGOMYELINASE-C

(Listeria
ivanovii) 		PF03372
(Exo_endo_phos) 		5 GLY A 227
THR A 186
HIS A 185
THR A 184
ILE A 226
 None
 1.23A 5ef2D-1zwxA:
undetectable
5ef2E-1zwxA:
undetectable		 5ef2D-1zwxA:
13.62
5ef2E-1zwxA:
13.62
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.
2b3o TYROSINE-PROTEIN
PHOSPHATASE,
NON-RECEPTOR TYPE 6

(Homo sapiens) 		PF00017
(SH2)
PF00102
(Y_phosphatase) 		5 ARG A 358
THR A 351
GLY A 458
ALA A 455
ILE A 457
 None
 1.37A 5ef2D-2b3oA:
undetectable
5ef2E-2b3oA:
undetectable		 5ef2D-2b3oA:
10.15
5ef2E-2b3oA:
10.15
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.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 SER A 817
GLY A 285
ALA A 293
THR A 624
ILE A 283
 None
FAD  A1001 (-3.2A)
None
FAD  A1001 (-4.9A)
None
 0.89A 5ef2D-2dw4A:
undetectable
5ef2E-2dw4A:
undetectable		 5ef2D-2dw4A:
8.15
5ef2E-2dw4A:
8.15
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.
2fff PENICILLIN-BINDING
PROTEIN 1B

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 GLY B 677
ALA B 688
THR B 417
HIS B 682
ILE B 676
 None
None
None
NI  B 901 (-2.8A)
None
 1.09A 5ef2D-2fffB:
undetectable
5ef2E-2fffB:
undetectable		 5ef2D-2fffB:
11.03
5ef2E-2fffB:
11.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o56 PUTATIVE MANDELATE
RACEMASE

(Salmonella
enterica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 SER A  98
GLY A  90
ALA A  96
THR A 297
ILE A  92
 None
 1.35A 5ef2D-2o56A:
undetectable
5ef2E-2o56A:
undetectable		 5ef2D-2o56A:
11.99
5ef2E-2o56A:
11.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p5u UDP-GLUCOSE
4-EPIMERASE

(Thermus
thermophilus) 		PF01370
(Epimerase) 		5 GLY A 299
ALA A 258
HIS A 306
THR A 303
ILE A 300
 None
 1.39A 5ef2D-2p5uA:
undetectable
5ef2E-2p5uA:
undetectable		 5ef2D-2p5uA:
12.68
5ef2E-2p5uA:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q1y CELL DIVISION
PROTEIN FTSZ

(Mycobacterium
tuberculosis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 107
ALA A  79
THR A  42
THR A 106
ILE A  16
 GSP  A 401 (-3.6A)
None
GSP  A 401 (-4.5A)
GSP  A 401 (-3.6A)
None
 1.33A 5ef2D-2q1yA:
undetectable
5ef2E-2q1yA:
undetectable		 5ef2D-2q1yA:
12.94
5ef2E-2q1yA:
12.94
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.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 ALA A 111
THR A  61
HIS A  62
THR A 124
ILE A 153
 None
None
ZN  A 501 (-3.3A)
None
None
 1.15A 5ef2D-2qt3A:
undetectable
5ef2E-2qt3A:
undetectable		 5ef2D-2qt3A:
14.29
5ef2E-2qt3A:
14.29
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.
2rbc SUGAR KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 SER A 278
GLY A 258
HIS A 257
ALA A 281
THR A 259
 EDO  A 331 (-3.3A)
None
None
EDO  A 331 ( 3.7A)
None
 1.39A 5ef2D-2rbcA:
undetectable
5ef2E-2rbcA:
undetectable		 5ef2D-2rbcA:
11.54
5ef2E-2rbcA:
11.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vk4 PYRUVATE
DECARBOXYLASE

(Kluyveromyces
lactis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ARG A 459
THR A  21
GLY A 424
ALA A  54
THR A 456
 None
 1.41A 5ef2D-2vk4A:
undetectable
5ef2E-2vk4A:
undetectable		 5ef2D-2vk4A:
8.71
5ef2E-2vk4A:
8.71
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.
2xzl ATP-DEPENDENT
HELICASE NAM7

(Saccharomyces
cerevisiae) 		PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 SER A 402
GLY A 435
ALA A 407
THR A 442
THR A 439
 None
ADP  A1854 (-3.1A)
ADP  A1854 ( 4.5A)
None
None
 1.19A 5ef2D-2xzlA:
undetectable
5ef2E-2xzlA:
undetectable		 5ef2D-2xzlA:
7.24
5ef2E-2xzlA:
7.24
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.
2y8u CHITIN DEACETYLASE

(Aspergillus
nidulans) 		PF01522
(Polysacc_deac_1) 		5 ARG A  67
GLY A  95
THR A 223
HIS A  92
THR A  69
 None
 1.20A 5ef2D-2y8uA:
undetectable
5ef2E-2y8uA:
undetectable		 5ef2D-2y8uA:
14.60
5ef2E-2y8uA:
14.60
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.
3a1n NDP-SUGAR EPIMERASE

(Thermoplasma
volcanium) 		PF01370
(Epimerase) 		5 THR A 112
SER A  74
GLY A 166
THR A 178
THR A 179
 NAD  A3001 ( 4.5A)
None
NAD  A3001 ( 4.6A)
None
NAD  A3001 ( 4.7A)
 1.41A 5ef2D-3a1nA:
undetectable
5ef2E-3a1nA:
undetectable		 5ef2D-3a1nA:
13.02
5ef2E-3a1nA:
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.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 SER A 411
GLY A 417
ALA A 408
THR A 436
ILE A 434
 None
 1.30A 5ef2D-3b4wA:
undetectable
5ef2E-3b4wA:
undetectable		 5ef2D-3b4wA:
10.29
5ef2E-3b4wA:
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.
3b9g IAG-NUCLEOSIDE
HYDROLASE

(Trypanosoma
vivax) 		PF01156
(IU_nuc_hydro) 		5 THR A 295
GLY A 166
ALA A 194
THR A 284
ILE A 187
 None
 0.97A 5ef2D-3b9gA:
undetectable
5ef2E-3b9gA:
undetectable		 5ef2D-3b9gA:
13.11
5ef2E-3b9gA:
13.11
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.
3cb5 FACT COMPLEX SUBUNIT
SPT16

(Schizosaccharomyces
pombe) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 SER A 191
ALA A 187
THR A 426
THR A 414
ILE A 184
 None
 0.94A 5ef2D-3cb5A:
undetectable
5ef2E-3cb5A:
undetectable		 5ef2D-3cb5A:
9.95
5ef2E-3cb5A:
9.95
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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		6 ARG A 290
GLY A 258
HIS A 243
ALA A 218
THR A 237
ILE A 234
 None
 1.46A 5ef2D-3dc8A:
undetectable
5ef2E-3dc8A:
undetectable		 5ef2D-3dc8A:
10.52
5ef2E-3dc8A:
10.52
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.
3dqp OXIDOREDUCTASE YLBE

(Lactococcus
lactis) 		PF13460
(NAD_binding_10) 		5 THR A 187
HIS A 189
ALA A 207
THR A 180
ILE A 164
 None
 1.43A 5ef2D-3dqpA:
undetectable
5ef2E-3dqpA:
undetectable		 5ef2D-3dqpA:
18.06
5ef2E-3dqpA:
18.06
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.
3dt8 BRAIN
PLATELET-ACTIVATING
FACTOR
ACETYLHYDROLASE IB
SUBUNIT ALPHA

(Bos taurus) 		PF13472
(Lipase_GDSL_2) 		5 ARG A  83
GLY A 116
HIS A  79
THR A  77
ILE A 117
 None
 1.24A 5ef2D-3dt8A:
undetectable
5ef2E-3dt8A:
undetectable		 5ef2D-3dt8A:
15.02
5ef2E-3dt8A:
15.02
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.
3e7d COBH, PRECORRIN-8X
METHYLMUTASE

(Brucella
abortus) 		PF02570
(CbiC) 		5 SER A 115
GLY A 111
ALA A 117
THR A 138
ILE A 110
 None
 1.28A 5ef2D-3e7dA:
undetectable
5ef2E-3e7dA:
undetectable		 5ef2D-3e7dA:
17.31
5ef2E-3e7dA:
17.31
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.
3ee4 PROBABLE
RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Mycobacterium
tuberculosis) 		PF00268
(Ribonuc_red_sm) 		5 THR A 173
GLY A 270
ALA A 238
THR A 267
ILE A 235
 MYR  A 315 ( 4.9A)
None
None
None
None
 1.37A 5ef2D-3ee4A:
undetectable
5ef2E-3ee4A:
undetectable		 5ef2D-3ee4A:
12.95
5ef2E-3ee4A:
12.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eeg 2-ISOPROPYLMALATE
SYNTHASE

(Cytophaga
hutchinsonii) 		PF00682
(HMGL-like) 		5 SER A 214
GLY A 208
ALA A 212
THR A 239
HIS A 204
 None
 1.36A 5ef2D-3eegA:
undetectable
5ef2E-3eegA:
undetectable		 5ef2D-3eegA:
17.23
5ef2E-3eegA:
17.23
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.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 SER A 385
ALA A 389
THR A 349
HIS A 348
ILE A 364
 None
None
None
MG  A   7 (-3.6A)
None
 1.42A 5ef2D-3f2bA:
undetectable
5ef2E-3f2bA:
undetectable		 5ef2D-3f2bA:
6.36
5ef2E-3f2bA:
6.36
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.
3gre SERINE/THREONINE-PRO
TEIN KINASE VPS15

(Saccharomyces
cerevisiae) 		no annotation 5 SER A1429
ALA A1443
THR A1351
HIS A1279
ILE A1369
 None
 1.33A 5ef2D-3greA:
undetectable
5ef2E-3greA:
undetectable		 5ef2D-3greA:
12.01
5ef2E-3greA:
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane) 		5 ARG A 555
GLY A 117
HIS A 113
HIS A 246
ILE A 120
 None
None
CYN  A 900 (-4.1A)
None
None
 1.17A 5ef2D-3i04A:
undetectable
5ef2E-3i04A:
undetectable		 5ef2D-3i04A:
7.87
5ef2E-3i04A:
7.87
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane) 		5 ARG A 555
GLY A 117
HIS A 113
THR A 249
HIS A 246
 None
None
CYN  A 900 (-4.1A)
None
None
 1.31A 5ef2D-3i04A:
undetectable
5ef2E-3i04A:
undetectable		 5ef2D-3i04A:
7.87
5ef2E-3i04A:
7.87
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 SER A 322
GLY A  86
ALA A  94
THR A 246
ILE A  84
 None
AHZ  A 500 (-3.0A)
None
None
None
 1.13A 5ef2D-3jskA:
undetectable
5ef2E-3jskA:
undetectable		 5ef2D-3jskA:
13.37
5ef2E-3jskA:
13.37
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.
3jv3 INTERSECTIN-1

(Mus musculus) 		PF00621
(RhoGEF)
PF14604
(SH3_9) 		5 GLY A1309
HIS A1398
THR A1389
HIS A1396
ILE A1308
 None
 1.31A 5ef2D-3jv3A:
undetectable
5ef2E-3jv3A:
undetectable		 5ef2D-3jv3A:
14.87
5ef2E-3jv3A:
14.87
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.
3k55 BETA-HEMOLYSIN

(Staphylococcus
aureus) 		PF03372
(Exo_endo_phos) 		5 GLY A 192
THR A 151
HIS A 150
THR A 149
ILE A 191
 None
 1.21A 5ef2D-3k55A:
undetectable
5ef2E-3k55A:
undetectable		 5ef2D-3k55A:
13.73
5ef2E-3k55A:
13.73
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.
3kto RESPONSE REGULATOR
RECEIVER PROTEIN

(Pseudoalteromonas
atlantica) 		PF00072
(Response_reg) 		5 SER A 107
GLY A  58
ALA A 109
HIS A  85
ILE A 128
 None
 1.20A 5ef2D-3ktoA:
undetectable
5ef2E-3ktoA:
undetectable		 5ef2D-3ktoA:
18.94
5ef2E-3ktoA:
18.94
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.
3l4g PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN

(Homo sapiens) 		PF01409
(tRNA-synt_2d) 		5 SER A 332
GLY A 458
THR A 328
HIS A 327
ILE A 373
 None
PHE  A 509 (-3.6A)
None
None
None
 1.43A 5ef2D-3l4gA:
undetectable
5ef2E-3l4gA:
undetectable		 5ef2D-3l4gA:
9.81
5ef2E-3l4gA:
9.81
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.
3l8k DIHYDROLIPOYL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 ARG A 319
GLY A  14
ALA A 325
THR A 304
ILE A 135
 None
 1.40A 5ef2D-3l8kA:
undetectable
5ef2E-3l8kA:
undetectable		 5ef2D-3l8kA:
11.76
5ef2E-3l8kA:
11.76
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.
3q7b NUCLEOPROTEIN

(Lassa
mammarenavirus) 		PF17290
(Arena_ncap_C) 		5 ARG A 492
GLY A 392
HIS A 431
ALA A 530
ILE A 390
 None
 1.41A 5ef2D-3q7bA:
undetectable
5ef2E-3q7bA:
undetectable		 5ef2D-3q7bA:
18.32
5ef2E-3q7bA:
18.32
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.
3q8n 4-AMINOBUTYRATE
TRANSAMINASE

(Mycolicibacterium
smegmatis) 		PF00202
(Aminotran_3) 		5 THR A 194
GLY A 237
HIS A 234
ALA A 173
THR A 416
 None
 1.19A 5ef2D-3q8nA:
undetectable
5ef2E-3q8nA:
undetectable		 5ef2D-3q8nA:
9.98
5ef2E-3q8nA:
9.98
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.
3rim TRANSKETOLASE

(Mycobacterium
tuberculosis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 SER A 176
GLY A  47
HIS A  45
THR A  48
ILE A 269
 TPP  A1002 (-2.5A)
None
None
TPP  A1002 (-2.5A)
TPP  A1002 ( 4.9A)
 1.36A 5ef2D-3rimA:
undetectable
5ef2E-3rimA:
undetectable		 5ef2D-3rimA:
7.83
5ef2E-3rimA:
7.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rwb PYRIDOXAL
4-DEHYDROGENASE

(Mesorhizobium
loti) 		PF13561
(adh_short_C2) 		5 THR A 165
SER A 138
GLY A 160
ALA A 140
THR A 116
 None
 1.28A 5ef2D-3rwbA:
undetectable
5ef2E-3rwbA:
undetectable		 5ef2D-3rwbA:
16.06
5ef2E-3rwbA:
16.06
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.
3tz6 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 ARG A 120
GLY A   6
ALA A 338
THR A  90
ILE A   5
 SO4  A 408 (-2.6A)
None
None
None
None
 1.41A 5ef2D-3tz6A:
undetectable
5ef2E-3tz6A:
undetectable		 5ef2D-3tz6A:
12.54
5ef2E-3tz6A:
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.
3u0o SELENIDE, WATER
DIKINASE

(Escherichia
coli) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 SER A 215
GLY A 325
ALA A 212
THR A 320
ILE A 326
 None
 1.24A 5ef2D-3u0oA:
undetectable
5ef2E-3u0oA:
undetectable		 5ef2D-3u0oA:
13.79
5ef2E-3u0oA:
13.79
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.
3wcq FERREDOXIN

(Cyanidioschyzon
merolae) 		PF00111
(Fer2) 		5 ARG A  41
GLY A  50
HIS A  91
THR A  77
ILE A  88
 None
 1.44A 5ef2D-3wcqA:
undetectable
5ef2E-3wcqA:
undetectable		 5ef2D-3wcqA:
25.25
5ef2E-3wcqA:
25.25
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.
3wpe TOLL-LIKE RECEPTOR 9

(Bos taurus) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 SER A 148
GLY A 133
HIS A 151
THR A 152
ILE A 134
 None
 1.16A 5ef2D-3wpeA:
undetectable
5ef2E-3wpeA:
undetectable		 5ef2D-3wpeA:
7.17
5ef2E-3wpeA:
7.17
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.
3x0y DSZC

(Rhodococcus
erythropolis) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 THR A 213
GLY A 209
HIS A 388
THR A 387
ILE A 208
 FMN  A 500 ( 4.6A)
None
FMN  A 500 (-4.6A)
None
None
 1.14A 5ef2D-3x0yA:
undetectable
5ef2E-3x0yA:
undetectable		 5ef2D-3x0yA:
11.36
5ef2E-3x0yA:
11.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zte TRYPTOPHAN OPERON
RNA-BINDING
ATTENUATION PROTEIN
(TRAP)

(Bacillus
licheniformis) 		PF02081
(TrpBP) 		6 GLY A  23
HIS A  34
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A  80 (-3.5A)
TRP  A  80 ( 4.9A)
TRP  A  80 (-2.8A)
None
TRP  A  80 (-3.6A)
TRP  A  80 ( 4.6A)
 0.27A 5ef2D-3zteA:
14.8
5ef2E-3zteA:
14.5		 5ef2D-3zteA:
78.21
5ef2E-3zteA:
78.21
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzl TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
halodurans) 		PF02081
(TrpBP) 		6 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
 TRP  A  81 (-3.5A)
TRP  A  81 ( 4.7A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
None
TRP  A  81 (-3.7A)
 0.29A 5ef2D-3zzlA:
13.2
5ef2E-3zzlA:
13.3		 5ef2D-3zzlA:
71.43
5ef2E-3zzlA:
71.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzq TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		6 GLY A  23
HIS A  34
ALA A  46
THR A  49
THR A  52
ILE A  55
 TRP  A  81 (-3.4A)
TRP  A  81 ( 4.9A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.8A)
TRP  A  81 ( 4.4A)
 0.22A 5ef2D-3zzqA:
13.9
5ef2E-3zzqA:
13.8		 5ef2D-3zzqA:
80.00
5ef2E-3zzqA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzs TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Geobacillus
stearothermophilus) 		PF02081
(TrpBP) 		7 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A1072 (-3.5A)
TRP  A1072 ( 4.7A)
TRP  A1072 ( 3.8A)
TRP  A1072 (-2.9A)
None
TRP  A1072 (-3.8A)
TRP  A1072 ( 4.4A)
 0.12A 5ef2D-3zzsA:
13.8
5ef2E-3zzsA:
13.9		 5ef2D-3zzsA:
100.00
5ef2E-3zzsA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aj9 CATALASE-3

(Neurospora
crassa) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ALA A 320
THR A 377
HIS A 249
THR A 250
ILE A 315
 None
None
HEM  A1715 (-3.9A)
None
None
 1.28A 5ef2D-4aj9A:
undetectable
5ef2E-4aj9A:
undetectable		 5ef2D-4aj9A:
8.76
5ef2E-4aj9A:
8.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b27 TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		7 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 GLY  A  23 (-0.0A)
HIS  A  34 ( 1.0A)
ALA  A  46 ( 0.0A)
THR  A  49 (-0.8A)
HIS  A  51 ( 1.0A)
THR  A  52 (-0.8A)
ILE  A  55 ( 0.6A)
 0.22A 5ef2D-4b27A:
13.3
5ef2E-4b27A:
13.4		 5ef2D-4b27A:
76.32
5ef2E-4b27A:
76.32
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.
4bu0 S-M CHECKPOINT
CONTROL PROTEIN RAD4

(Schizosaccharomyces
pombe) 		PF12738
(PTCB-BRCT) 		5 ARG A  37
THR A  45
HIS A  46
ALA A  34
ILE A  75
 None
GOL  A1187 ( 3.9A)
GOL  A1187 (-4.7A)
None
None
 1.24A 5ef2D-4bu0A:
undetectable
5ef2E-4bu0A:
undetectable		 5ef2D-4bu0A:
16.76
5ef2E-4bu0A:
16.76
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.
4bv6 APOPTOSIS-INDUCING
FACTOR 1,
MITOCHONDRIAL

(Homo sapiens) 		PF07992
(Pyr_redox_2)
PF14721
(AIF_C) 		5 ARG A 172
GLY A 462
HIS A 457
ALA A 259
HIS A 455
 FAD  A1449 (-3.9A)
None
None
FAD  A1449 (-4.9A)
None
 1.27A 5ef2D-4bv6A:
undetectable
5ef2E-4bv6A:
undetectable		 5ef2D-4bv6A:
9.71
5ef2E-4bv6A:
9.71
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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		5 SER A 504
ALA A 500
THR A 572
THR A 545
ILE A 547
 None
 1.11A 5ef2D-4bx9A:
undetectable
5ef2E-4bx9A:
undetectable		 5ef2D-4bx9A:
7.91
5ef2E-4bx9A:
7.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cja BURRH

(Paraburkholderia
rhizoxinica) 		PF03377
(TAL_effector) 		5 GLY A 701
HIS A 700
ALA A 718
HIS A 667
ILE A 714
 None
 1.23A 5ef2D-4cjaA:
undetectable
5ef2E-4cjaA:
undetectable		 5ef2D-4cjaA:
7.07
5ef2E-4cjaA:
7.07
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.
4e6e CELL DIVISION
PROTEIN FTSZ

(Thermobifida
fusca) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY A 107
ALA A  79
THR A  42
THR A 106
ILE A  16
 SO4  A 607 (-3.4A)
None
None
SO4  A 607 (-4.3A)
None
 1.23A 5ef2D-4e6eA:
undetectable
5ef2E-4e6eA:
undetectable		 5ef2D-4e6eA:
12.06
5ef2E-4e6eA:
12.06
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.
4fc4 NITRITE TRANSPORTER
NIRC

(Salmonella
enterica) 		PF01226
(Form_Nir_trans) 		5 THR A 108
SER A  20
HIS A  83
ALA A  17
ILE A  96
 None
 1.22A 5ef2D-4fc4A:
undetectable
5ef2E-4fc4A:
undetectable		 5ef2D-4fc4A:
15.23
5ef2E-4fc4A:
15.23
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.
4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 THR A  76
ALA A  69
HIS A  54
THR A  55
ILE A  57
 None
 1.16A 5ef2D-4fc7A:
undetectable
5ef2E-4fc7A:
undetectable		 5ef2D-4fc7A:
16.60
5ef2E-4fc7A:
16.60
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 SER A 811
GLY A 389
ALA A 397
THR A 626
ILE A 387
 None
FAD  A 901 (-3.3A)
None
None
None
 0.94A 5ef2D-4hsuA:
undetectable
5ef2E-4hsuA:
undetectable		 5ef2D-4hsuA:
7.64
5ef2E-4hsuA:
7.64
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.
4lz6 BH2163 PROTEIN

(Bacillus
halodurans) 		PF01554
(MatE) 		5 SER A 271
GLY A  55
THR A 129
THR A 132
ILE A  58
 None
 1.08A 5ef2D-4lz6A:
undetectable
5ef2E-4lz6A:
undetectable		 5ef2D-4lz6A:
11.37
5ef2E-4lz6A:
11.37
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.
4o6i NUCLEOPROTEIN

(Lymphocytic
choriomeningitis
mammarenavirus) 		PF17290
(Arena_ncap_C) 		5 ARG A 485
GLY A 385
HIS A 424
ALA A 519
ILE A 383
 None
 1.28A 5ef2D-4o6iA:
undetectable
5ef2E-4o6iA:
undetectable		 5ef2D-4o6iA:
13.91
5ef2E-4o6iA:
13.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00171
(Aldedh) 		5 SER A 384
GLY A 390
ALA A 381
THR A 409
ILE A 407
 None
 1.26A 5ef2D-4ohtA:
undetectable
5ef2E-4ohtA:
undetectable		 5ef2D-4ohtA:
9.89
5ef2E-4ohtA:
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.
4ov4 2-ISOPROPYLMALATE
SYNTHASE

(Leptospira
biflexa) 		PF00682
(HMGL-like) 		5 SER A 219
GLY A 213
ALA A 217
THR A 244
HIS A 209
 None
None
None
None
ZN  A 401 ( 3.4A)
 1.16A 5ef2D-4ov4A:
undetectable
5ef2E-4ov4A:
undetectable		 5ef2D-4ov4A:
11.11
5ef2E-4ov4A:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4q0g PROBABLE
ACETYL-/PROPIONYL-CO
A CARBOXYLASE (BETA
SUBUNIT) ACCD1

(Mycobacterium
tuberculosis) 		PF01039
(Carboxyl_trans) 		5 THR A  87
GLY A  84
ALA A  71
HIS A 119
THR A 115
 None
 1.40A 5ef2D-4q0gA:
undetectable
5ef2E-4q0gA:
undetectable		 5ef2D-4q0gA:
9.33
5ef2E-4q0gA:
9.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qyr AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 ARG A3060
GLY A3045
HIS A3071
THR A3057
ILE A2993
 None
 1.30A 5ef2D-4qyrA:
undetectable
5ef2E-4qyrA:
undetectable		 5ef2D-4qyrA:
7.32
5ef2E-4qyrA:
7.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rk2 PUTATIVE SUGAR ABC
TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Rhizobium etli) 		PF01547
(SBP_bac_1) 		5 GLY A 207
ALA A 305
THR A 303
HIS A 295
ILE A 208
 None
 1.22A 5ef2D-4rk2A:
undetectable
5ef2E-4rk2A:
undetectable		 5ef2D-4rk2A:
11.03
5ef2E-4rk2A:
11.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xeh KETOL-ACID
REDUCTOISOMERASE

(Ignisphaera
aggregans) 		PF01450
(IlvC)
PF07991
(IlvN) 		5 THR A 188
HIS A 113
ALA A 288
HIS A 108
ILE A 116
 None
 1.28A 5ef2D-4xehA:
undetectable
5ef2E-4xehA:
undetectable		 5ef2D-4xehA:
14.06
5ef2E-4xehA:
14.06
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.
5ah1 TRIACYLGLYCEROL
LIPASE

(Clostridium
botulinum) 		no annotation 5 SER A 126
GLY A 184
HIS A  84
ALA A 304
THR A 187
 None
 1.27A 5ef2D-5ah1A:
undetectable
5ef2E-5ah1A:
undetectable		 5ef2D-5ah1A:
10.95
5ef2E-5ah1A:
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.
5dmy BETA-GALACTOSIDASE

(Bifidobacterium
bifidum) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		5 THR A 674
GLY A 758
ALA A 741
HIS A 647
THR A 756
 None
 1.40A 5ef2D-5dmyA:
undetectable
5ef2E-5dmyA:
undetectable		 5ef2D-5dmyA:
6.41
5ef2E-5dmyA:
6.41
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.
5dx5 METHIONINE
GAMMA-LYASE

(Clostridium
sporogenes) 		PF01053
(Cys_Met_Meta_PP) 		5 SER A  87
GLY A 245
ALA A  85
THR A 244
ILE A 240
 PLP  A 501 (-3.7A)
None
None
None
None
 1.34A 5ef2D-5dx5A:
undetectable
5ef2E-5dx5A:
undetectable		 5ef2D-5dx5A:
11.50
5ef2E-5dx5A:
11.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5eex TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Geobacillus
stearothermophilus) 		PF02081
(TrpBP) 		7 GLY A  23
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 None
 0.13A 5ef2D-5eexA:
15.5
5ef2E-5eexA:
15.8		 5ef2D-5eexA:
100.00
5ef2E-5eexA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eul PROTEIN TRANSLOCASE
SUBUNIT SECY

(Geobacillus
thermodenitrificans) 		PF00344
(SecY) 		5 THR Y 412
GLY Y 178
ALA Y 185
THR Y  21
ILE Y 182
 None
 1.28A 5ef2D-5eulY:
undetectable
5ef2E-5eulY:
undetectable		 5ef2D-5eulY:
10.61
5ef2E-5eulY:
10.61
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.
5f9p ANTHRONE
OXIDASE-LIKE PROTEIN

(Streptomyces
ambofaciens) 		PF03992
(ABM) 		5 SER A 229
GLY A 117
HIS A 226
THR A  48
ILE A 116
 None
 1.42A 5ef2D-5f9pA:
undetectable
5ef2E-5f9pA:
undetectable		 5ef2D-5f9pA:
15.35
5ef2E-5f9pA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hzk INTERSECTIN-1,NPH1-1
,INTERSECTIN-1

(Avena sativa;
Homo sapiens) 		PF00621
(RhoGEF)
PF13426
(PAS_9)
PF16652
(PH_13) 		5 GLY B1459
HIS B1548
THR B1539
HIS B1546
ILE B1458
 None
 1.17A 5ef2D-5hzkB:
undetectable
5ef2E-5hzkB:
undetectable		 5ef2D-5hzkB:
9.11
5ef2E-5hzkB:
9.11
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 SER A 817
GLY A 285
ALA A 293
THR A 624
ILE A 283
 None
FAD  A 901 (-3.3A)
None
None
None
 0.92A 5ef2D-5l3dA:
undetectable
5ef2E-5l3dA:
undetectable		 5ef2D-5l3dA:
6.27
5ef2E-5l3dA:
6.27
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.
5lgc ARCE4A

(Arthrobacter
sp. AW19M34-1) 		PF01522
(Polysacc_deac_1) 		5 GLY A  80
THR A 199
HIS A  77
THR A  54
ILE A 118
 None
 1.10A 5ef2D-5lgcA:
undetectable
5ef2E-5lgcA:
undetectable		 5ef2D-5lgcA:
17.89
5ef2E-5lgcA:
17.89
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.
5ls4 NUCLEOPROTEIN

(Mopeia
mammarenavirus) 		PF17290
(Arena_ncap_C) 		5 ARG A 493
GLY A 393
HIS A 432
ALA A 531
ILE A 391
 None
 1.32A 5ef2D-5ls4A:
undetectable
5ef2E-5ls4A:
undetectable		 5ef2D-5ls4A:
15.84
5ef2E-5ls4A:
15.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lta PRE-MRNA-SPLICING
FACTOR ATP-DEPENDENT
RNA HELICASE PRP43

(Chaetomium
thermophilum) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF04408
(HA2)
PF07717
(OB_NTP_bind) 		5 THR A 717
HIS A 584
ALA A 656
HIS A 579
ILE A 547
 None
 1.16A 5ef2D-5ltaA:
undetectable
5ef2E-5ltaA:
undetectable		 5ef2D-5ltaA:
7.00
5ef2E-5ltaA:
7.00
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		5 SER A 186
GLY A 172
ALA A 180
THR A 190
ILE A 175
 None
 1.13A 5ef2D-5o1mA:
undetectable
5ef2E-5o1mA:
undetectable		 5ef2D-5o1mA:
12.64
5ef2E-5o1mA:
12.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2p SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Treponema
pallidum) 		PF01547
(SBP_bac_1) 		5 THR A 199
GLY A 310
ALA A 149
THR A 309
ILE A 147
 EDO  A 504 ( 4.2A)
EDO  A 504 ( 3.9A)
None
None
None
 1.35A 5ef2D-5u2pA:
undetectable
5ef2E-5u2pA:
undetectable		 5ef2D-5u2pA:
11.24
5ef2E-5u2pA:
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.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 5 SER C 276
GLY C  65
ALA C 278
HIS C 271
ILE C 138
 None
 1.40A 5ef2D-5y6qC:
undetectable
5ef2E-5y6qC:
undetectable		 5ef2D-5y6qC:
undetectable
5ef2E-5y6qC:
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.
5y6r GENOME POLYPROTEIN

(Pestivirus C) 		no annotation 5 GLY A 147
ALA A 622
HIS A 626
THR A 627
ILE A 148
 SO4  A 706 ( 4.4A)
None
SO4  A 706 (-3.9A)
None
None
 1.25A 5ef2D-5y6rA:
undetectable
5ef2E-5y6rA:
undetectable		 5ef2D-5y6rA:
undetectable
5ef2E-5y6rA:
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.
5ygr DIAMINOPROPIONATE
AMMONIA LYASE

(Salmonella
enterica) 		no annotation 5 GLY A 126
ALA A 133
THR A 122
THR A 124
ILE A 159
 PO4  A 504 (-4.5A)
None
None
PO4  A 504 (-3.6A)
None
 1.02A 5ef2D-5ygrA:
undetectable
5ef2E-5ygrA:
undetectable		 5ef2D-5ygrA:
undetectable
5ef2E-5ygrA:
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.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 SER A  58
GLY A  34
ALA A  60
THR A  35
ILE A  71
 None
 1.24A 5ef2D-5z73A:
undetectable
5ef2E-5z73A:
undetectable		 5ef2D-5z73A:
undetectable
5ef2E-5z73A:
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.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 5 SER A 149
GLY A 134
HIS A 152
THR A 153
ILE A 135
 None
 1.11A 5ef2D-5zlnA:
undetectable
5ef2E-5zlnA:
undetectable		 5ef2D-5zlnA:
undetectable
5ef2E-5zlnA:
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.
6d2v TERB OXIDOREDUCTASE

(Streptomyces) 		no annotation 5 ARG A 277
THR A 282
GLY A 237
HIS A 219
ALA A 170
 None
 1.33A 5ef2D-6d2vA:
undetectable
5ef2E-6d2vA:
undetectable		 5ef2D-6d2vA:
undetectable
5ef2E-6d2vA:
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.
6fuy VINCULIN

(Homo sapiens) 		no annotation 5 GLY A 222
ALA A 691
THR A 214
THR A 215
ILE A 681
 None
 1.21A 5ef2D-6fuyA:
undetectable
5ef2E-6fuyA:
undetectable		 5ef2D-6fuyA:
undetectable
5ef2E-6fuyA:
undetectable