SIMILAR PATTERNS OF AMINO ACIDS FOR 5EF1_I_TRPI101

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)
 1.28A 5ef1I-1c7gA:
undetectable
5ef1J-1c7gA:
undetectable		 5ef1I-1c7gA:
12.25
5ef1J-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
 1.12A 5ef1I-1l5jA:
0.0
5ef1J-1l5jA:
0.0		 5ef1I-1l5jA:
7.07
5ef1J-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
 1.34A 5ef1I-1lzxA:
undetectable
5ef1J-1lzxA:
undetectable		 5ef1I-1lzxA:
10.02
5ef1J-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
 1.33A 5ef1I-1m9qA:
undetectable
5ef1J-1m9qA:
undetectable		 5ef1I-1m9qA:
9.88
5ef1J-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 5ef1I-1mioB:
undetectable
5ef1J-1mioB:
undetectable		 5ef1I-1mioB:
9.76
5ef1J-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
 1.27A 5ef1I-1n0wA:
0.0
5ef1J-1n0wA:
0.0		 5ef1I-1n0wA:
14.40
5ef1J-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.
1q1q SULFOTRANSFERASE
FAMILY, CYTOSOLIC,
2B, MEMBER 1 ISOFORM
A

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 HIS A 110
ALA A  86
THR A  59
THR A  58
ILE A  50
 None
None
A3P  A 352 (-3.5A)
A3P  A 352 (-3.7A)
None
 1.22A 5ef1I-1q1qA:
undetectable
5ef1J-1q1qA:
undetectable		 5ef1I-1q1qA:
13.61
5ef1J-1q1qA:
13.61
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.
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
 1.05A 5ef1I-1q8fA:
undetectable
5ef1J-1q8fA:
undetectable		 5ef1I-1q8fA:
13.50
5ef1J-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)
 1.37A 5ef1I-1ry2A:
undetectable
5ef1J-1ry2A:
undetectable		 5ef1I-1ry2A:
7.99
5ef1J-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
 1.16A 5ef1I-1v9cA:
undetectable
5ef1J-1v9cA:
undetectable		 5ef1I-1v9cA:
19.25
5ef1J-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 5ef1I-1vm7A:
undetectable
5ef1J-1vm7A:
undetectable		 5ef1I-1vm7A:
12.22
5ef1J-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 5ef1I-1vpxA:
undetectable
5ef1J-1vpxA:
undetectable		 5ef1I-1vpxA:
18.53
5ef1J-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.
1yy5 FMS1 PROTEIN

(Saccharomyces
cerevisiae) 		PF01593
(Amino_oxidase) 		5 SER A 495
ALA A  23
HIS A 480
THR A 252
ILE A  13
 None
None
None
FAD  A 803 (-4.6A)
None
 1.28A 5ef1I-1yy5A:
undetectable
5ef1J-1yy5A:
undetectable		 5ef1I-1yy5A:
9.73
5ef1J-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.
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 5ef1I-1yy5A:
undetectable
5ef1J-1yy5A:
undetectable		 5ef1I-1yy5A:
9.73
5ef1J-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
 0.96A 5ef1I-1z0fA:
undetectable
5ef1J-1z0fA:
undetectable		 5ef1I-1z0fA:
16.57
5ef1J-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
 1.23A 5ef1I-1zb7A:
undetectable
5ef1J-1zb7A:
undetectable		 5ef1I-1zb7A:
9.28
5ef1J-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
 1.32A 5ef1I-1zbrA:
undetectable
5ef1J-1zbrA:
undetectable		 5ef1I-1zbrA:
11.24
5ef1J-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
 1.24A 5ef1I-1zwxA:
undetectable
5ef1J-1zwxA:
undetectable		 5ef1I-1zwxA:
13.62
5ef1J-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 5ef1I-2dw4A:
undetectable
5ef1J-2dw4A:
undetectable		 5ef1I-2dw4A:
8.15
5ef1J-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
 1.11A 5ef1I-2fffB:
undetectable
5ef1J-2fffB:
undetectable		 5ef1I-2fffB:
11.03
5ef1J-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.
2i3a N-ACETYL-GAMMA-GLUTA
MYL-PHOSPHATE
REDUCTASE

(Mycobacterium
tuberculosis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 GLY A  23
HIS A  59
ALA A  87
HIS A  58
ILE A  25
 None
 0.93A 5ef1I-2i3aA:
undetectable
5ef1J-2i3aA:
undetectable		 5ef1I-2i3aA:
12.78
5ef1J-2i3aA:
12.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5ef1I-2i5bA:
undetectable
5ef1J-2i5bA:
undetectable		 5ef1I-2i5bA:
18.03
5ef1J-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.
2prx THIOESTERASE
SUPERFAMILY PROTEIN

(Shewanella
loihica) 		PF03061
(4HBT) 		5 GLY A 117
HIS A  68
ALA A  76
THR A  39
ILE A 119
 None
 1.27A 5ef1I-2prxA:
undetectable
5ef1J-2prxA:
undetectable		 5ef1I-2prxA:
18.54
5ef1J-2prxA:
18.54
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.
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
 1.36A 5ef1I-2q1yA:
undetectable
5ef1J-2q1yA:
undetectable		 5ef1I-2q1yA:
12.94
5ef1J-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.
2r6f EXCINUCLEASE ABC
SUBUNIT A

(Geobacillus
stearothermophilus) 		PF00005
(ABC_tran) 		5 HIS A 518
HIS A 886
ALA A 634
THR A 928
ILE A 891
 None
 1.29A 5ef1I-2r6fA:
2.2
5ef1J-2r6fA:
2.1		 5ef1I-2r6fA:
6.07
5ef1J-2r6fA:
6.07
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.
2r6f EXCINUCLEASE ABC
SUBUNIT A

(Geobacillus
stearothermophilus) 		PF00005
(ABC_tran) 		5 HIS A 518
HIS A 886
HIS A 927
THR A 928
ILE A 891
 None
 1.21A 5ef1I-2r6fA:
2.2
5ef1J-2r6fA:
2.1		 5ef1I-2r6fA:
6.07
5ef1J-2r6fA:
6.07
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.
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
 1.37A 5ef1I-2rbcA:
undetectable
5ef1J-2rbcA:
undetectable		 5ef1I-2rbcA:
11.54
5ef1J-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
 1.37A 5ef1I-2vk4A:
undetectable
5ef1J-2vk4A:
undetectable		 5ef1I-2vk4A:
8.71
5ef1J-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
 1.21A 5ef1I-2xzlA:
undetectable
5ef1J-2xzlA:
undetectable		 5ef1I-2xzlA:
7.24
5ef1J-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 5ef1I-2y8uA:
undetectable
5ef1J-2y8uA:
undetectable		 5ef1I-2y8uA:
14.60
5ef1J-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 5ef1I-2zy2A:
undetectable
5ef1J-2zy2A:
undetectable		 5ef1I-2zy2A:
8.61
5ef1J-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)
 1.35A 5ef1I-3a1nA:
undetectable
5ef1J-3a1nA:
undetectable		 5ef1I-3a1nA:
13.02
5ef1J-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
 0.97A 5ef1I-3b9gA:
undetectable
5ef1J-3b9gA:
undetectable		 5ef1I-3b9gA:
13.11
5ef1J-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
 1.30A 5ef1I-3dc8A:
undetectable
5ef1J-3dc8A:
undetectable		 5ef1I-3dc8A:
10.52
5ef1J-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 5ef1I-3dc8A:
undetectable
5ef1J-3dc8A:
undetectable		 5ef1I-3dc8A:
10.52
5ef1J-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 5ef1I-3dt8A:
undetectable
5ef1J-3dt8A:
undetectable		 5ef1I-3dt8A:
15.02
5ef1J-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 5ef1I-3e7dA:
undetectable
5ef1J-3e7dA:
undetectable		 5ef1I-3e7dA:
17.31
5ef1J-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.
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
 1.37A 5ef1I-3eegA:
undetectable
5ef1J-3eegA:
undetectable		 5ef1I-3eegA:
17.23
5ef1J-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.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 THR A 442
GLY A 174
ALA A 140
THR A 457
ILE A 173
 None
 1.19A 5ef1I-3hpaA:
undetectable
5ef1J-3hpaA:
undetectable		 5ef1I-3hpaA:
10.65
5ef1J-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.
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
 1.32A 5ef1I-3hvmA:
undetectable
5ef1J-3hvmA:
undetectable		 5ef1I-3hvmA:
13.98
5ef1J-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.
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
 1.19A 5ef1I-3i04A:
undetectable
5ef1J-3i04A:
undetectable		 5ef1I-3i04A:
7.87
5ef1J-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
 1.32A 5ef1I-3i04A:
undetectable
5ef1J-3i04A:
undetectable		 5ef1I-3i04A:
7.87
5ef1J-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.
3ive NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		5 ARG A 375
GLY A  92
HIS A 116
ALA A  35
ILE A  95
 CTN  A 603 ( 3.0A)
None
None
None
None
 1.21A 5ef1I-3iveA:
undetectable
5ef1J-3iveA:
undetectable		 5ef1I-3iveA:
10.77
5ef1J-3iveA:
10.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5ef1I-3jskA:
undetectable
5ef1J-3jskA:
undetectable		 5ef1I-3jskA:
13.37
5ef1J-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
 1.22A 5ef1I-3k55A:
undetectable
5ef1J-3k55A:
undetectable		 5ef1I-3k55A:
13.73
5ef1J-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.
3kos HTH-TYPE
TRANSCRIPTIONAL
ACTIVATOR AMPR

(Citrobacter
freundii) 		PF03466
(LysR_substrate) 		5 GLY A  99
HIS A 130
THR A 267
THR A 144
ILE A  98
 None
 1.34A 5ef1I-3kosA:
undetectable
5ef1J-3kosA:
undetectable		 5ef1I-3kosA:
15.42
5ef1J-3kosA:
15.42
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.
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
 1.21A 5ef1I-3ktoA:
undetectable
5ef1J-3ktoA:
undetectable		 5ef1I-3ktoA:
18.94
5ef1J-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.
3l6c SERINE RACEMASE

(Rattus
norvegicus) 		PF00291
(PALP) 		5 GLY A  88
HIS A  87
ALA A 102
THR A  81
ILE A 104
 None
 1.19A 5ef1I-3l6cA:
undetectable
5ef1J-3l6cA:
undetectable		 5ef1I-3l6cA:
14.11
5ef1J-3l6cA:
14.11
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.
3l6r SERINE RACEMASE

(Homo sapiens) 		PF00291
(PALP) 		5 GLY A  88
HIS A  87
ALA A 102
THR A  81
ILE A 104
 None
 1.20A 5ef1I-3l6rA:
undetectable
5ef1J-3l6rA:
undetectable		 5ef1I-3l6rA:
12.84
5ef1J-3l6rA:
12.84
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.
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 5ef1I-3l8kA:
undetectable
5ef1J-3l8kA:
undetectable		 5ef1I-3l8kA:
11.76
5ef1J-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.
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
 1.20A 5ef1I-3q8nA:
undetectable
5ef1J-3q8nA:
undetectable		 5ef1I-3q8nA:
9.98
5ef1J-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.
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
 1.23A 5ef1I-3rwbA:
undetectable
5ef1J-3rwbA:
undetectable		 5ef1I-3rwbA:
16.06
5ef1J-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.
3ryk DTDP-4-DEHYDRORHAMNO
SE 3,5-EPIMERASE

(Bacillus
anthracis) 		PF00908
(dTDP_sugar_isom) 		5 SER A  50
GLY A  60
HIS A  62
HIS A 119
ILE A  58
 None
None
POP  A 182 ( 4.5A)
None
None
 1.35A 5ef1I-3rykA:
1.2
5ef1J-3rykA:
1.1		 5ef1I-3rykA:
18.40
5ef1J-3rykA:
18.40
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.
3txx PUTRESCINE
CARBAMOYLTRANSFERASE

(Enterococcus
faecalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 SER A  58
GLY A 124
HIS A 130
THR A 132
ILE A 122
 None
 1.18A 5ef1I-3txxA:
undetectable
5ef1J-3txxA:
undetectable		 5ef1I-3txxA:
11.21
5ef1J-3txxA:
11.21
Potential target for repurposing, i.e. matched protein structure has less than 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
 1.27A 5ef1I-3u0fA:
undetectable
5ef1J-3u0fA:
undetectable		 5ef1I-3u0fA:
10.22
5ef1J-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 5ef1I-3u0oA:
undetectable
5ef1J-3u0oA:
undetectable		 5ef1I-3u0oA:
13.79
5ef1J-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.
3ux8 EXCINUCLEASE ABC, A
SUBUNIT

(Geobacillus sp.
Y412MC52) 		PF00005
(ABC_tran) 		5 HIS A 518
HIS A 886
ALA A 634
THR A 928
ILE A 891
 None
 1.21A 5ef1I-3ux8A:
undetectable
5ef1J-3ux8A:
undetectable		 5ef1I-3ux8A:
7.91
5ef1J-3ux8A:
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.
3ux8 EXCINUCLEASE ABC, A
SUBUNIT

(Geobacillus sp.
Y412MC52) 		PF00005
(ABC_tran) 		5 HIS A 518
HIS A 886
HIS A 927
THR A 928
ILE A 891
 None
 1.14A 5ef1I-3ux8A:
undetectable
5ef1J-3ux8A:
undetectable		 5ef1I-3ux8A:
7.91
5ef1J-3ux8A:
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.
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 5ef1I-3wpeA:
undetectable
5ef1J-3wpeA:
undetectable		 5ef1I-3wpeA:
7.17
5ef1J-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) 		7 GLY A  23
HIS A  33
HIS A  34
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A  80 (-3.5A)
None
TRP  A  80 ( 4.9A)
TRP  A  80 (-2.8A)
None
TRP  A  80 (-3.6A)
TRP  A  80 ( 4.6A)
 0.23A 5ef1I-3zteA:
14.6
5ef1J-3zteA:
14.4		 5ef1I-3zteA:
78.21
5ef1J-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) 		7 GLY A  23
HIS A  33
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
 TRP  A  81 (-3.5A)
None
TRP  A  81 ( 4.7A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
None
TRP  A  81 (-3.7A)
 0.27A 5ef1I-3zzlA:
13.4
5ef1J-3zzlA:
13.4		 5ef1I-3zzlA:
71.43
5ef1J-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) 		7 GLY A  23
HIS A  33
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 ( 4.9A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.8A)
TRP  A  81 ( 4.4A)
 0.18A 5ef1I-3zzqA:
14.0
5ef1J-3zzqA:
14.1		 5ef1I-3zzqA:
80.00
5ef1J-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) 		8 GLY A  23
HIS A  33
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 TRP  A1072 (-3.5A)
None
TRP  A1072 ( 4.7A)
TRP  A1072 ( 3.8A)
TRP  A1072 (-2.9A)
None
TRP  A1072 (-3.8A)
TRP  A1072 ( 4.4A)
 0.08A 5ef1I-3zzsA:
13.9
5ef1J-3zzsA:
14.0		 5ef1I-3zzsA:
100.00
5ef1J-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.
4a0s OCTENOYL-COA
REDUCTASE/CARBOXYLAS
E

(Streptomyces
cinnabarigriseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 SER A 322
GLY A 228
HIS A 313
THR A 318
THR A 314
 None
NAP  A1447 (-3.2A)
NAP  A1447 (-4.3A)
None
NAP  A1447 (-4.6A)
 1.26A 5ef1I-4a0sA:
undetectable
5ef1J-4a0sA:
undetectable		 5ef1I-4a0sA:
10.76
5ef1J-4a0sA:
10.76
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) 		8 GLY A  23
HIS A  33
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  33 ( 1.0A)
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 5ef1I-4b27A:
13.4
5ef1J-4b27A:
13.5		 5ef1I-4b27A:
76.32
5ef1J-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
 1.28A 5ef1I-4bv6A:
undetectable
5ef1J-4bv6A:
undetectable		 5ef1I-4bv6A:
9.71
5ef1J-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 5ef1I-4bx9A:
undetectable
5ef1J-4bx9A:
undetectable		 5ef1I-4bx9A:
7.91
5ef1J-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
 1.24A 5ef1I-4cjaA:
undetectable
5ef1J-4cjaA:
undetectable		 5ef1I-4cjaA:
7.07
5ef1J-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.
4d9i DIAMINOPROPIONATE
AMMONIA-LYASE

(Escherichia
coli) 		PF00291
(PALP) 		5 GLY A 124
HIS A 123
ALA A 138
THR A 117
ILE A 140
 None
 1.07A 5ef1I-4d9iA:
undetectable
5ef1J-4d9iA:
undetectable		 5ef1I-4d9iA:
11.42
5ef1J-4d9iA:
11.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 5ef1I-4e6eA:
undetectable
5ef1J-4e6eA:
undetectable		 5ef1I-4e6eA:
12.06
5ef1J-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
 1.24A 5ef1I-4fc4A:
undetectable
5ef1J-4fc4A:
undetectable		 5ef1I-4fc4A:
15.23
5ef1J-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 5ef1I-4fc7A:
undetectable
5ef1J-4fc7A:
undetectable		 5ef1I-4fc7A:
16.60
5ef1J-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
 0.93A 5ef1I-4hsuA:
undetectable
5ef1J-4hsuA:
undetectable		 5ef1I-4hsuA:
7.64
5ef1J-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.
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
 1.20A 5ef1I-4kprE:
undetectable
5ef1J-4kprE:
undetectable		 5ef1I-4kprE:
9.64
5ef1J-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
 1.07A 5ef1I-4lz6A:
undetectable
5ef1J-4lz6A:
undetectable		 5ef1I-4lz6A:
11.37
5ef1J-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 5ef1I-4nhoA:
undetectable
5ef1J-4nhoA:
undetectable		 5ef1I-4nhoA:
9.43
5ef1J-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.
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
 1.23A 5ef1I-4ohtA:
undetectable
5ef1J-4ohtA:
undetectable		 5ef1I-4ohtA:
9.89
5ef1J-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 5ef1I-4ov4A:
undetectable
5ef1J-4ov4A:
undetectable		 5ef1I-4ov4A:
11.11
5ef1J-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.
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
 1.32A 5ef1I-4qyrA:
undetectable
5ef1J-4qyrA:
undetectable		 5ef1I-4qyrA:
7.32
5ef1J-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.
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 5ef1I-5ah1A:
undetectable
5ef1J-5ah1A:
undetectable		 5ef1I-5ah1A:
10.95
5ef1J-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.
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
 1.32A 5ef1I-5dx5A:
undetectable
5ef1J-5dx5A:
undetectable		 5ef1I-5dx5A:
11.50
5ef1J-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) 		8 GLY A  23
HIS A  33
HIS A  34
ALA A  46
THR A  49
HIS A  51
THR A  52
ILE A  55
 None
 0.09A 5ef1I-5eexA:
16.1
5ef1J-5eexA:
15.2		 5ef1I-5eexA:
100.00
5ef1J-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 5ef1I-5eulY:
undetectable
5ef1J-5eulY:
undetectable		 5ef1I-5eulY:
10.61
5ef1J-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
 1.25A 5ef1I-5habA:
undetectable
5ef1J-5habA:
undetectable		 5ef1I-5habA:
12.91
5ef1J-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
 1.21A 5ef1I-5hzkB:
undetectable
5ef1J-5hzkB:
undetectable		 5ef1I-5hzkB:
9.11
5ef1J-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 5ef1I-5l3dA:
undetectable
5ef1J-5l3dA:
undetectable		 5ef1I-5l3dA:
6.27
5ef1J-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 5ef1I-5lgcA:
undetectable
5ef1J-5lgcA:
undetectable		 5ef1I-5lgcA:
17.89
5ef1J-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.
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
 1.17A 5ef1I-5ltaA:
undetectable
5ef1J-5ltaA:
undetectable		 5ef1I-5ltaA:
7.00
5ef1J-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.
5nnn CTATC

(Chaetomium
thermophilum) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 SER A2008
GLY A2074
HIS A2081
THR A2083
ILE A2072
 None
 1.17A 5ef1I-5nnnA:
undetectable
5ef1J-5nnnA:
undetectable		 5ef1I-5nnnA:
15.08
5ef1J-5nnnA:
15.08
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		5 GLY A 538
HIS A 542
ALA A 481
HIS A 755
THR A 541
 None
 1.30A 5ef1I-5ux5A:
undetectable
5ef1J-5ux5A:
undetectable		 5ef1I-5ux5A:
5.76
5ef1J-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.
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
 1.16A 5ef1I-5ux5A:
undetectable
5ef1J-5ux5A:
undetectable		 5ef1I-5ux5A:
5.76
5ef1J-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
 1.23A 5ef1I-5w1jA:
undetectable
5ef1J-5w1jA:
undetectable		 5ef1I-5w1jA:
8.72
5ef1J-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
 1.36A 5ef1I-5y6qC:
undetectable
5ef1J-5y6qC:
undetectable		 5ef1I-5y6qC:
undetectable
5ef1J-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 5ef1I-5y6rA:
undetectable
5ef1J-5y6rA:
undetectable		 5ef1I-5y6rA:
undetectable
5ef1J-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.
5y6r GENOME POLYPROTEIN

(Pestivirus C) 		no annotation 5 SER A 618
GLY A 147
ALA A 622
THR A 627
ILE A 148
 None
SO4  A 706 ( 4.4A)
None
None
None
 1.32A 5ef1I-5y6rA:
undetectable
5ef1J-5y6rA:
undetectable		 5ef1I-5y6rA:
undetectable
5ef1J-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
 1.00A 5ef1I-5ygrA:
undetectable
5ef1J-5ygrA:
undetectable		 5ef1I-5ygrA:
undetectable
5ef1J-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
 1.11A 5ef1I-5zlnA:
undetectable
5ef1J-5zlnA:
undetectable		 5ef1I-5zlnA:
undetectable
5ef1J-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
 1.31A 5ef1I-6d2vA:
undetectable
5ef1J-6d2vA:
undetectable		 5ef1I-6d2vA:
undetectable
5ef1J-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 5ef1I-6fuyA:
undetectable
5ef1J-6fuyA:
undetectable		 5ef1I-6fuyA:
undetectable
5ef1J-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 5ef1I-6gefA:
undetectable
5ef1J-6gefA:
undetectable		 5ef1I-6gefA:
undetectable
5ef1J-6gefA:
undetectable