SIMILAR PATTERNS OF AMINO ACIDS FOR 1GTF_I_TRPI81_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.
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)
 1.26A 1gtfH-1c7gA:
undetectable
1gtfI-1c7gA:
undetectable		 1gtfH-1c7gA:
12.25
1gtfI-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
 1.15A 1gtfH-1l5jA:
0.0
1gtfI-1l5jA:
0.0		 1gtfH-1l5jA:
7.07
1gtfI-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
 1.31A 1gtfH-1lzxA:
undetectable
1gtfI-1lzxA:
undetectable		 1gtfH-1lzxA:
10.02
1gtfI-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
 1.30A 1gtfH-1m9qA:
undetectable
1gtfI-1m9qA:
undetectable		 1gtfH-1m9qA:
9.88
1gtfI-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
 1.32A 1gtfH-1mioB:
0.0
1gtfI-1mioB:
undetectable		 1gtfH-1mioB:
9.76
1gtfI-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
 1.26A 1gtfH-1n0wA:
0.0
1gtfI-1n0wA:
0.0		 1gtfH-1n0wA:
14.40
1gtfI-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 1gtfH-1ps9A:
undetectable
1gtfI-1ps9A:
undetectable		 1gtfH-1ps9A:
8.10
1gtfI-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
 1.10A 1gtfH-1q8fA:
undetectable
1gtfI-1q8fA:
undetectable		 1gtfH-1q8fA:
13.50
1gtfI-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.
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
 1.19A 1gtfH-1v9cA:
undetectable
1gtfI-1v9cA:
0.0		 1gtfH-1v9cA:
19.25
1gtfI-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
 1.12A 1gtfH-1vm7A:
undetectable
1gtfI-1vm7A:
undetectable		 1gtfH-1vm7A:
12.22
1gtfI-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
 1.35A 1gtfH-1vpxA:
undetectable
1gtfI-1vpxA:
undetectable		 1gtfH-1vpxA:
18.53
1gtfI-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
 1.35A 1gtfH-1vyhA:
undetectable
1gtfI-1vyhA:
undetectable		 1gtfH-1vyhA:
17.39
1gtfI-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
 0.96A 1gtfH-1yy5A:
undetectable
1gtfI-1yy5A:
undetectable		 1gtfH-1yy5A:
9.73
1gtfI-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
 0.98A 1gtfH-1z0fA:
undetectable
1gtfI-1z0fA:
undetectable		 1gtfH-1z0fA:
16.57
1gtfI-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.
1z6r MLC PROTEIN

(Escherichia
coli) 		PF00480
(ROK) 		5 THR A 200
SER A 209
GLY A 341
THR A 376
ILE A 340
 None
 1.28A 1gtfH-1z6rA:
undetectable
1gtfI-1z6rA:
undetectable		 1gtfH-1z6rA:
11.00
1gtfI-1z6rA:
11.00
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.
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
 1.34A 1gtfH-1zbrA:
undetectable
1gtfI-1zbrA:
undetectable		 1gtfH-1zbrA:
11.24
1gtfI-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
 1.22A 1gtfH-1zwxA:
undetectable
1gtfI-1zwxA:
undetectable		 1gtfH-1zwxA:
13.62
1gtfI-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.
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 1gtfH-2dw4A:
undetectable
1gtfI-2dw4A:
undetectable		 1gtfH-2dw4A:
8.15
1gtfI-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
 1.10A 1gtfH-2fffB:
undetectable
1gtfI-2fffB:
undetectable		 1gtfH-2fffB:
11.03
1gtfI-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.
2ftp HYDROXYMETHYLGLUTARY
L-COA LYASE

(Pseudomonas
aeruginosa) 		PF00682
(HMGL-like) 		5 GLY A 206
HIS A 207
ALA A 215
THR A 188
ILE A 219
 None
NA  A3000 (-3.8A)
None
None
None
 1.24A 1gtfH-2ftpA:
undetectable
1gtfI-2ftpA:
undetectable		 1gtfH-2ftpA:
12.42
1gtfI-2ftpA:
12.42
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.
2i5b PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacillus
subtilis) 		PF08543
(Phos_pyr_kin) 		5 GLY A 215
ALA A 239
THR A  26
THR A 217
ILE A 243
 ADP  A 301 (-3.2A)
None
None
None
ADP  A 301 (-4.1A)
 1.30A 1gtfH-2i5bA:
undetectable
1gtfI-2i5bA:
undetectable		 1gtfH-2i5bA:
18.03
1gtfI-2i5bA:
18.03
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 1gtfH-2o56A:
undetectable
1gtfI-2o56A:
undetectable		 1gtfH-2o56A:
11.99
1gtfI-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.
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
 1.35A 1gtfH-2q1yA:
undetectable
1gtfI-2q1yA:
undetectable		 1gtfH-2q1yA:
12.94
1gtfI-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
 1.16A 1gtfH-2qt3A:
undetectable
1gtfI-2qt3A:
undetectable		 1gtfH-2qt3A:
14.29
1gtfI-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 1gtfH-2rbcA:
undetectable
1gtfI-2rbcA:
undetectable		 1gtfH-2rbcA:
11.54
1gtfI-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.
2v6o THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Schistosoma
mansoni) 		PF00462
(Glutaredoxin)
PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A 569
HIS A 571
THR A 580
THR A 579
ILE A 568
 PG4  A1595 (-4.3A)
PG4  A1595 ( 3.7A)
PG4  A1595 (-4.1A)
PG4  A1595 (-3.9A)
PG4  A1595 (-4.4A)
 1.28A 1gtfH-2v6oA:
undetectable
1gtfI-2v6oA:
undetectable		 1gtfH-2v6oA:
8.02
1gtfI-2v6oA:
8.02
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.
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
 1.20A 1gtfH-2xzlA:
undetectable
1gtfI-2xzlA:
undetectable		 1gtfH-2xzlA:
7.24
1gtfI-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 1gtfH-2y8uA:
undetectable
1gtfI-2y8uA:
undetectable		 1gtfH-2y8uA:
14.60
1gtfI-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.
2zy2 L-ASPARTATE
4-CARBOXYLYASE

(Pseudomonas sp.
ATCC 19121) 		PF00155
(Aminotran_1_2) 		5 SER A  62
GLY A 128
HIS A 123
ALA A  58
ILE A 129
 None
 1.26A 1gtfH-2zy2A:
undetectable
1gtfI-2zy2A:
undetectable		 1gtfH-2zy2A:
8.61
1gtfI-2zy2A:
8.61
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.
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)
 1.38A 1gtfH-3a1nA:
undetectable
1gtfI-3a1nA:
undetectable		 1gtfH-3a1nA:
13.02
1gtfI-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.
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
 1.03A 1gtfH-3b9gA:
undetectable
1gtfI-3b9gA:
undetectable		 1gtfH-3b9gA:
13.11
1gtfI-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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 ARG A 290
GLY A 258
ALA A 218
THR A 237
ILE A 234
 None
 1.32A 1gtfH-3dc8A:
undetectable
1gtfI-3dc8A:
undetectable		 1gtfH-3dc8A:
10.52
1gtfI-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.
3dc8 DIHYDROPYRIMIDINASE

(Sinorhizobium
meliloti) 		PF01979
(Amidohydro_1) 		5 ARG A 290
GLY A 258
HIS A 243
ALA A 218
ILE A 234
 None
 1.28A 1gtfH-3dc8A:
undetectable
1gtfI-3dc8A:
undetectable		 1gtfH-3dc8A:
10.52
1gtfI-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.
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
 1.28A 1gtfH-3dt8A:
undetectable
1gtfI-3dt8A:
undetectable		 1gtfH-3dt8A:
15.02
1gtfI-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
 1.27A 1gtfH-3e7dA:
undetectable
1gtfI-3e7dA:
undetectable		 1gtfH-3e7dA:
17.31
1gtfI-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
 1.38A 1gtfH-3ee4A:
undetectable
1gtfI-3ee4A:
undetectable		 1gtfH-3ee4A:
12.95
1gtfI-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
 1.38A 1gtfH-3eegA:
undetectable
1gtfI-3eegA:
undetectable		 1gtfH-3eegA:
17.23
1gtfI-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.
3gre SERINE/THREONINE-PRO
TEIN KINASE VPS15

(Saccharomyces
cerevisiae) 		no annotation 5 SER A1429
ALA A1443
THR A1351
HIS A1279
ILE A1369
 None
 1.30A 1gtfH-3greA:
undetectable
1gtfI-3greA:
undetectable		 1gtfH-3greA:
12.01
1gtfI-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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 THR A 442
GLY A 174
ALA A 140
THR A 457
ILE A 173
 None
 1.21A 1gtfH-3hpaA:
undetectable
1gtfI-3hpaA:
undetectable		 1gtfH-3hpaA:
10.65
1gtfI-3hpaA:
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.
3hq2 BACILLUS SUBTILIS
M32 CARBOXYPEPTIDASE

(Bacillus
subtilis) 		PF02074
(Peptidase_M32) 		5 THR A 189
SER A 342
GLY A 393
THR A 355
ILE A 394
 None
 1.39A 1gtfH-3hq2A:
undetectable
1gtfI-3hq2A:
undetectable		 1gtfH-3hq2A:
8.96
1gtfI-3hq2A:
8.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hvm AGMATINE DEIMINASE

(Helicobacter
pylori) 		PF04371
(PAD_porph) 		5 GLY A 320
HIS A 319
ALA A 270
THR A 205
HIS A 202
 None
 1.33A 1gtfH-3hvmA:
undetectable
1gtfI-3hvmA:
undetectable		 1gtfH-3hvmA:
13.98
1gtfI-3hvmA:
13.98
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.
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
 1.12A 1gtfH-3jskA:
undetectable
1gtfI-3jskA:
undetectable		 1gtfH-3jskA:
13.37
1gtfI-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.
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
 1.20A 1gtfH-3k55A:
undetectable
1gtfI-3k55A:
undetectable		 1gtfH-3k55A:
13.73
1gtfI-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
 1.19A 1gtfH-3ktoA:
undetectable
1gtfI-3ktoA:
undetectable		 1gtfH-3ktoA:
18.94
1gtfI-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.
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
 1.41A 1gtfH-3l8kA:
undetectable
1gtfI-3l8kA:
undetectable		 1gtfH-3l8kA:
11.76
1gtfI-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.
3l8k DIHYDROLIPOYL
DEHYDROGENASE

(Sulfolobus
solfataricus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 GLY A  14
HIS A  16
ALA A 325
THR A 304
ILE A 135
 None
 1.28A 1gtfH-3l8kA:
undetectable
1gtfI-3l8kA:
undetectable		 1gtfH-3l8kA:
11.76
1gtfI-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.
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
 1.21A 1gtfH-3rwbA:
undetectable
1gtfI-3rwbA:
undetectable		 1gtfH-3rwbA:
16.06
1gtfI-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.
3u0f BETA-KETOACYL
SYNTHASE

(Brucella
abortus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A 338
GLY A 332
HIS A 333
ALA A 326
THR A 331
 None
 1.23A 1gtfH-3u0fA:
undetectable
1gtfI-3u0fA:
undetectable		 1gtfH-3u0fA:
10.22
1gtfI-3u0fA:
10.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.27A 1gtfH-3u0oA:
undetectable
1gtfI-3u0oA:
undetectable		 1gtfH-3u0oA:
13.79
1gtfI-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.
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
 1.17A 1gtfH-3wpeA:
undetectable
1gtfI-3wpeA:
undetectable		 1gtfH-3wpeA:
7.17
1gtfI-3wpeA:
7.17
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)
 0.16A 1gtfH-3zteA:
14.7
1gtfI-3zteA:
15.4		 1gtfH-3zteA:
78.21
1gtfI-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)
 0.26A 1gtfH-3zzlA:
13.4
1gtfI-3zzlA:
13.3		 1gtfH-3zzlA:
71.43
1gtfI-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)
 0.15A 1gtfH-3zzqA:
14.0
1gtfI-3zzqA:
13.8		 1gtfH-3zzqA:
80.00
1gtfI-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)
 0.09A 1gtfH-3zzsA:
14.0
1gtfI-3zzsA:
13.8		 1gtfH-3zzsA:
100.00
1gtfI-3zzsA:
100.00
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)
 0.18A 1gtfH-4b27A:
13.4
1gtfI-4b27A:
13.3		 1gtfH-4b27A:
76.32
1gtfI-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.
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
 1.30A 1gtfH-4bv6A:
undetectable
1gtfI-4bv6A:
undetectable		 1gtfH-4bv6A:
9.71
1gtfI-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 1gtfH-4bx9A:
undetectable
1gtfI-4bx9A:
undetectable		 1gtfH-4bx9A:
7.91
1gtfI-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 668
HIS A 667
ALA A 685
HIS A 634
ILE A 681
 None
 1.19A 1gtfH-4cjaA:
undetectable
1gtfI-4cjaA:
undetectable		 1gtfH-4cjaA:
7.07
1gtfI-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.
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 1gtfH-4cjaA:
undetectable
1gtfI-4cjaA:
undetectable		 1gtfH-4cjaA:
7.07
1gtfI-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.
4cnk L-AMINO ACID OXIDASE

(Streptococcus
cristatus) 		PF03486
(HI0933_like) 		5 SER A  23
ALA A  18
THR A  29
THR A   6
ILE A 159
 None
 1.34A 1gtfH-4cnkA:
undetectable
1gtfI-4cnkA:
undetectable		 1gtfH-4cnkA:
12.76
1gtfI-4cnkA:
12.76
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.
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
 1.26A 1gtfH-4e6eA:
undetectable
1gtfI-4e6eA:
undetectable		 1gtfH-4e6eA:
12.06
1gtfI-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.
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
 1.20A 1gtfH-4fc7A:
undetectable
1gtfI-4fc7A:
undetectable		 1gtfH-4fc7A:
16.60
1gtfI-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.
4hfk PUTATIVE CYTOPLASMIC
PROTEIN

(Enterobacter
cloacae) 		PF14113
(Tae4) 		5 GLY A 127
HIS A 142
ALA A 157
THR A 155
HIS A 120
 None
 1.41A 1gtfH-4hfkA:
undetectable
1gtfI-4hfkA:
undetectable		 1gtfH-4hfkA:
17.47
1gtfI-4hfkA:
17.47
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.
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
 0.93A 1gtfH-4hsuA:
undetectable
1gtfI-4hsuA:
undetectable		 1gtfH-4hsuA:
7.64
1gtfI-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.
4i6m ACTIN-LIKE PROTEIN
ARP9

(Saccharomyces
cerevisiae) 		PF00022
(Actin) 		5 THR B 169
GLY B 191
THR B 340
THR B 339
ILE B 194
 None
 1.04A 1gtfH-4i6mB:
undetectable
1gtfI-4i6mB:
undetectable		 1gtfH-4i6mB:
11.93
1gtfI-4i6mB:
11.93
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.
4j5a PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
F, MITOCHONDRIAL

(Homo sapiens) 		PF00160
(Pro_isomerase) 		5 SER X 152
GLY X  92
HIS X 112
ALA X 106
ILE X 200
 None
 1.40A 1gtfH-4j5aX:
undetectable
1gtfI-4j5aX:
undetectable		 1gtfH-4j5aX:
23.08
1gtfI-4j5aX:
23.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jre IMMUNOGLOBULIN
GAMMA-2A, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER B  77
GLY B  33
ALA B  79
THR B  53
ILE B  51
 None
 1.01A 1gtfH-4jreB:
undetectable
1gtfI-4jreB:
undetectable		 1gtfH-4jreB:
15.89
1gtfI-4jreB:
15.89
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.
4jzy CRYPTOCHROME-1

(Drosophila
melanogaster) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 THR A 175
SER A 137
ALA A  22
HIS A  18
ILE A   9
 None
 1.34A 1gtfH-4jzyA:
undetectable
1gtfI-4jzyA:
undetectable		 1gtfH-4jzyA:
9.28
1gtfI-4jzyA:
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 5 GLY E 470
HIS E 472
THR E 481
THR E 480
ILE E 469
 None
 1.21A 1gtfH-4kprE:
undetectable
1gtfI-4kprE:
undetectable		 1gtfH-4kprE:
9.64
1gtfI-4kprE:
9.64
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
 1.09A 1gtfH-4lz6A:
undetectable
1gtfI-4lz6A:
undetectable		 1gtfH-4lz6A:
11.37
1gtfI-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.
4nho PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX23

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 ARG A 374
GLY A 433
ALA A 421
THR A 381
ILE A 431
 None
 1.28A 1gtfH-4nhoA:
undetectable
1gtfI-4nhoA:
undetectable		 1gtfH-4nhoA:
9.43
1gtfI-4nhoA:
9.43
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.
4nq1 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Legionella
pneumophila) 		PF00701
(DHDPS) 		5 SER A 124
HIS A 117
ALA A 122
THR A  88
ILE A 129
 None
 1.39A 1gtfH-4nq1A:
undetectable
1gtfI-4nq1A:
undetectable		 1gtfH-4nq1A:
15.71
1gtfI-4nq1A:
15.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.25A 1gtfH-4ohtA:
undetectable
1gtfI-4ohtA:
undetectable		 1gtfH-4ohtA:
9.89
1gtfI-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)
 1.18A 1gtfH-4ov4A:
undetectable
1gtfI-4ov4A:
undetectable		 1gtfH-4ov4A:
11.11
1gtfI-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
 1.41A 1gtfH-4q0gA:
undetectable
1gtfI-4q0gA:
undetectable		 1gtfH-4q0gA:
9.33
1gtfI-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
 1.34A 1gtfH-4qyrA:
undetectable
1gtfI-4qyrA:
undetectable		 1gtfH-4qyrA:
7.32
1gtfI-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
 1.24A 1gtfH-4rk2A:
undetectable
1gtfI-4rk2A:
undetectable		 1gtfH-4rk2A:
11.03
1gtfI-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
 1.29A 1gtfH-4xehA:
undetectable
1gtfI-4xehA:
undetectable		 1gtfH-4xehA:
14.06
1gtfI-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
 1.31A 1gtfH-5ah1A:
undetectable
1gtfI-5ah1A:
undetectable		 1gtfH-5ah1A:
10.95
1gtfI-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.
5cde PROLINE DIPEPTIDASE

(Xanthomonas
campestris) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		5 ARG A 243
THR A 199
GLY A 238
ALA A 229
ILE A 236
 None
 1.22A 1gtfH-5cdeA:
undetectable
1gtfI-5cdeA:
undetectable		 1gtfH-5cdeA:
10.71
1gtfI-5cdeA:
10.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.36A 1gtfH-5dmyA:
undetectable
1gtfI-5dmyA:
undetectable		 1gtfH-5dmyA:
6.41
1gtfI-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
 1.35A 1gtfH-5dx5A:
undetectable
1gtfI-5dx5A:
undetectable		 1gtfH-5dx5A:
11.50
1gtfI-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 1gtfH-5eexA:
15.6
1gtfI-5eexA:
15.6		 1gtfH-5eexA:
100.00
1gtfI-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
 1.25A 1gtfH-5eulY:
undetectable
1gtfI-5eulY:
undetectable		 1gtfH-5eulY:
10.61
1gtfI-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.
5hab RIBONUCLEASE J

(Methanolobus
psychrophilus) 		PF07521
(RMMBL)
PF12706
(Lactamase_B_2) 		5 GLY A  83
HIS A  87
THR A 105
THR A 108
ILE A 112
 None
 1.27A 1gtfH-5habA:
undetectable
1gtfI-5habA:
undetectable		 1gtfH-5habA:
12.91
1gtfI-5habA:
12.91
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.
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
 1.22A 1gtfH-5hzkB:
undetectable
1gtfI-5hzkB:
undetectable		 1gtfH-5hzkB:
9.11
1gtfI-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
 0.91A 1gtfH-5l3dA:
undetectable
1gtfI-5l3dA:
undetectable		 1gtfH-5l3dA:
6.27
1gtfI-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 1gtfH-5lgcA:
undetectable
1gtfI-5lgcA:
undetectable		 1gtfH-5lgcA:
17.89
1gtfI-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.
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
 1.18A 1gtfH-5o1mA:
undetectable
1gtfI-5o1mA:
undetectable		 1gtfH-5o1mA:
12.64
1gtfI-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
 1.32A 1gtfH-5u2pA:
undetectable
1gtfI-5u2pA:
undetectable		 1gtfH-5u2pA:
11.24
1gtfI-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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 SER A 724
GLY A 874
ALA A 726
THR A 846
ILE A 696
 SO4  A2003 (-2.4A)
None
None
None
None
 1.17A 1gtfH-5ux5A:
undetectable
1gtfI-5ux5A:
undetectable		 1gtfH-5ux5A:
5.76
1gtfI-5ux5A:
5.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w1j THIOREDOXIN
GLUTATHIONE
REDUCTASE

(Echinococcus
granulosus) 		no annotation 5 GLY A 568
HIS A 570
THR A 579
THR A 578
ILE A 567
 None
 1.24A 1gtfH-5w1jA:
undetectable
1gtfI-5w1jA:
undetectable		 1gtfH-5w1jA:
8.72
1gtfI-5w1jA:
8.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.39A 1gtfH-5y6qC:
undetectable
1gtfI-5y6qC:
undetectable		 1gtfH-5y6qC:
undetectable
1gtfI-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
 1.23A 1gtfH-5y6rA:
undetectable
1gtfI-5y6rA:
undetectable		 1gtfH-5y6rA:
undetectable
1gtfI-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 1gtfH-5ygrA:
undetectable
1gtfI-5ygrA:
undetectable		 1gtfH-5ygrA:
undetectable
1gtfI-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.
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
 1.12A 1gtfH-5zlnA:
undetectable
1gtfI-5zlnA:
undetectable		 1gtfH-5zlnA:
undetectable
1gtfI-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.
6ck9 GP120 OF ENVELOPE
GLYCOPROTEIN GP160

(Human
immunodeficiency
virus 1) 		no annotation 5 ARG G 344
GLY G 451
HIS G 287
THR G 341
ILE G 449
 NAG  G2891 (-3.7A)
None
None
None
None
 1.39A 1gtfH-6ck9G:
undetectable
1gtfI-6ck9G:
undetectable		 1gtfH-6ck9G:
undetectable
1gtfI-6ck9G:
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 1gtfH-6d2vA:
undetectable
1gtfI-6d2vA:
undetectable		 1gtfH-6d2vA:
undetectable
1gtfI-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 1gtfH-6fuyA:
undetectable
1gtfI-6fuyA:
undetectable		 1gtfH-6fuyA:
undetectable
1gtfI-6fuyA:
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.
6gef TYPE IV SECRETION
SYSTEM PROTEIN DOTB

(Yersinia
pseudotuberculosis) 		no annotation 5 THR A 266
GLY A 164
HIS A 268
ALA A 260
ILE A 165
 THR  A 266 ( 0.8A)
GLY  A 164 ( 0.0A)
HIS  A 268 ( 1.0A)
ALA  A 260 ( 0.0A)
ILE  A 165 ( 0.7A)
 1.24A 1gtfH-6gefA:
undetectable
1gtfI-6gefA:
undetectable		 1gtfH-6gefA:
undetectable
1gtfI-6gefA:
undetectable