SIMILAR PATTERNS OF AMINO ACIDS FOR 5EF2_T_TRPT101_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.
1fc9 PHOTOSYSTEM II D1
PROTEASE

(Tetradesmus
obliquus) 		PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		5 GLY A 431
ALA A 378
THR A 370
THR A 394
SER A 374
 None
 1.33A 5ef2S-1fc9A:
0.0
5ef2T-1fc9A:
0.0		 5ef2S-1fc9A:
12.11
5ef2T-1fc9A:
12.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l5j ACONITATE HYDRATASE
2

(Escherichia
coli) 		PF00330
(Aconitase)
PF06434
(Aconitase_2_N)
PF11791
(Aconitase_B_N) 		5 GLY A 412
ALA A 510
THR A 500
THR A 417
SER A 245
 None
None
None
TRA  A 866 (-4.0A)
TRA  A 866 (-2.6A)
 1.10A 5ef2S-1l5jA:
undetectable
5ef2T-1l5jA:
undetectable		 5ef2S-1l5jA:
7.07
5ef2T-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 688
HIS A 652
THR A 655
ILE A 679
THR A 591
 None
 1.34A 5ef2S-1lzxA:
undetectable
5ef2T-1lzxA:
undetectable		 5ef2S-1lzxA:
10.02
5ef2T-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 457
HIS A 421
THR A 424
ILE A 448
THR A 360
 None
 1.33A 5ef2S-1m9qA:
0.0
5ef2T-1m9qA:
0.0		 5ef2S-1m9qA:
9.88
5ef2T-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
 1.27A 5ef2S-1mioB:
undetectable
5ef2T-1mioB:
undetectable		 5ef2S-1mioB:
9.76
5ef2T-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 GLY A 116
ALA A 262
THR A 123
ILE A 102
SER A 121
 MG  A 401 (-3.8A)
None
None
None
None
 1.30A 5ef2S-1n0wA:
undetectable
5ef2T-1n0wA:
undetectable		 5ef2S-1n0wA:
14.40
5ef2T-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 GLY A 248
THR A 272
THR A 247
ILE A 249
THR A 230
 None
 1.37A 5ef2S-1ps9A:
undetectable
5ef2T-1ps9A:
undetectable		 5ef2S-1ps9A:
8.10
5ef2T-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.
1v7v CHITOBIOSE
PHOSPHORYLASE

(Vibrio
proteolyticus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		5 GLY A 419
HIS A 418
HIS A 385
THR A 423
ILE A 420
 None
 1.40A 5ef2S-1v7vA:
0.0
5ef2T-1v7vA:
0.0		 5ef2S-1v7vA:
6.35
5ef2T-1v7vA:
6.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vpx PROTEIN
(TRANSALDOLASE (EC
2.2.1.2))

(Thermotoga
maritima) 		PF00923
(TAL_FSA) 		5 GLY A  90
ALA A 121
THR A 104
ILE A  91
SER A  98
 None
 1.38A 5ef2S-1vpxA:
undetectable
5ef2T-1vpxA:
undetectable		 5ef2S-1vpxA:
18.53
5ef2T-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 ALA A  23
HIS A 480
THR A 252
ILE A  13
SER A 495
 None
None
FAD  A 803 (-4.6A)
None
None
 1.36A 5ef2S-1yy5A:
undetectable
5ef2T-1yy5A:
undetectable		 5ef2S-1yy5A:
9.73
5ef2T-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 GLY A  15
ALA A  23
THR A 252
ILE A  13
SER A 495
 FAD  A 803 (-3.2A)
None
FAD  A 803 (-4.6A)
None
None
 1.02A 5ef2S-1yy5A:
undetectable
5ef2T-1yy5A:
undetectable		 5ef2S-1yy5A:
9.73
5ef2T-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.
1zb7 NEUROTOXIN

(Clostridium
botulinum) 		PF01742
(Peptidase_M27) 		5 GLY A 238
HIS A 237
THR A 172
ILE A 183
THR A 271
 None
None
FLC  A 501 (-4.7A)
None
ZN  A 500 ( 4.4A)
 1.18A 5ef2S-1zb7A:
undetectable
5ef2T-1zb7A:
undetectable		 5ef2S-1zb7A:
9.28
5ef2T-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.
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
 1.19A 5ef2S-1zwxA:
undetectable
5ef2T-1zwxA:
undetectable		 5ef2S-1zwxA:
13.62
5ef2T-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.
2ag1 BENZALDEHYDE LYASE

(Pseudomonas
fluorescens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A  24
ALA A  56
HIS A  49
THR A  47
ILE A  45
 None
 1.36A 5ef2S-2ag1A:
undetectable
5ef2T-2ag1A:
undetectable		 5ef2S-2ag1A:
8.38
5ef2T-2ag1A:
8.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 GLY A 285
ALA A 293
THR A 624
ILE A 283
SER A 817
 FAD  A1001 (-3.2A)
None
FAD  A1001 (-4.9A)
None
None
 0.94A 5ef2S-2dw4A:
undetectable
5ef2T-2dw4A:
undetectable		 5ef2S-2dw4A:
8.15
5ef2T-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.
2eij CYTOCHROME C OXIDASE
SUBUNIT 1

(Bos taurus) 		PF00115
(COX1) 		5 GLY A 284
HIS A 240
ALA A 308
HIS A 291
ILE A 286
 None
CU  A 517 (-3.1A)
None
CU  A 517 ( 3.1A)
None
 1.35A 5ef2S-2eijA:
undetectable
5ef2T-2eijA:
undetectable		 5ef2S-2eijA:
9.53
5ef2T-2eijA:
9.53
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.
2f1f ACETOLACTATE
SYNTHASE ISOZYME III
SMALL SUBUNIT

(Escherichia
coli) 		PF10369
(ALS_ss_C)
PF13710
(ACT_5) 		5 GLY A 154
THR A  34
THR A  47
ILE A   4
SER A 150
 None
 1.19A 5ef2S-2f1fA:
undetectable
5ef2T-2f1fA:
undetectable		 5ef2S-2f1fA:
20.48
5ef2T-2f1fA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.08A 5ef2S-2fffB:
undetectable
5ef2T-2fffB:
undetectable		 5ef2S-2fffB:
11.03
5ef2T-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.
2gez L-ASPARAGINASE ALPHA
SUBUNIT
L-ASPARAGINASE BETA
SUBUNIT

(Lupinus luteus;
Lupinus luteus) 		PF01112
(Asparaginase_2)
PF01112
(Asparaginase_2) 		5 GLY B 195
HIS A   9
ALA A  67
THR B 225
THR B 209
 None
None
NA  A 401 (-4.6A)
None
None
 1.36A 5ef2S-2gezB:
undetectable
5ef2T-2gezB:
undetectable		 5ef2S-2gezB:
20.15
5ef2T-2gezB:
20.15
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.
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
 0.85A 5ef2S-2i3aA:
undetectable
5ef2T-2i3aA:
undetectable		 5ef2S-2i3aA:
12.78
5ef2T-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 5ef2S-2i5bA:
undetectable
5ef2T-2i5bA:
undetectable		 5ef2S-2i5bA:
18.03
5ef2T-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 GLY A  90
ALA A  96
THR A 297
ILE A  92
SER A  98
 None
 1.37A 5ef2S-2o56A:
undetectable
5ef2T-2o56A:
undetectable		 5ef2S-2o56A:
11.99
5ef2T-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.
2ok8 PUTATIVE
FERREDOXIN--NADP
REDUCTASE

(Plasmodium
falciparum) 		PF00175
(NAD_binding_1) 		5 GLY A  55
HIS A 157
THR A  11
THR A 154
ILE A  57
 None
 1.33A 5ef2S-2ok8A:
undetectable
5ef2T-2ok8A:
undetectable		 5ef2S-2ok8A:
12.05
5ef2T-2ok8A:
12.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 HIS A  32
THR A 203
HIS A 202
THR A 101
SER A 178
 None
None
None
GG9  A 501 (-3.3A)
GG9  A 501 ( 4.8A)
 1.33A 5ef2S-2pqdA:
undetectable
5ef2T-2pqdA:
undetectable		 5ef2S-2pqdA:
10.20
5ef2T-2pqdA:
10.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.37A 5ef2S-2prxA:
undetectable
5ef2T-2prxA:
undetectable		 5ef2S-2prxA:
18.54
5ef2T-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
 1.34A 5ef2S-2q1yA:
undetectable
5ef2T-2q1yA:
undetectable		 5ef2S-2q1yA:
12.94
5ef2T-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.
2rbc SUGAR KINASE

(Agrobacterium
fabrum) 		PF00294
(PfkB) 		5 GLY A 258
HIS A 257
ALA A 281
THR A 259
SER A 278
 None
None
EDO  A 331 ( 3.7A)
None
EDO  A 331 (-3.3A)
 1.36A 5ef2S-2rbcA:
undetectable
5ef2T-2rbcA:
undetectable		 5ef2S-2rbcA:
11.54
5ef2T-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)
 1.25A 5ef2S-2v6oA:
undetectable
5ef2T-2v6oA:
undetectable		 5ef2S-2v6oA:
8.02
5ef2T-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.
2x7v PROBABLE
ENDONUCLEASE 4

(Thermotoga
maritima) 		PF01261
(AP_endonuc_2) 		5 GLY A   5
HIS A 268
HIS A 215
ILE A   4
THR A 261
 None
None
ZN  A1288 (-3.3A)
None
None
 1.36A 5ef2S-2x7vA:
undetectable
5ef2T-2x7vA:
undetectable		 5ef2S-2x7vA:
13.50
5ef2T-2x7vA:
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.
2xzl ATP-DEPENDENT
HELICASE NAM7

(Saccharomyces
cerevisiae) 		PF09416
(UPF1_Zn_bind)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 GLY A 435
ALA A 407
THR A 442
THR A 439
SER A 402
 ADP  A1854 (-3.1A)
ADP  A1854 ( 4.5A)
None
None
None
 1.26A 5ef2S-2xzlA:
undetectable
5ef2T-2xzlA:
undetectable		 5ef2S-2xzlA:
7.24
5ef2T-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.
2zy2 L-ASPARTATE
4-CARBOXYLYASE

(Pseudomonas sp.
ATCC 19121) 		PF00155
(Aminotran_1_2) 		5 GLY A 128
HIS A 123
ALA A  58
ILE A 129
SER A  62
 None
 1.27A 5ef2S-2zy2A:
undetectable
5ef2T-2zy2A:
undetectable		 5ef2S-2zy2A:
8.61
5ef2T-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 GLY A 166
THR A 178
THR A 179
THR A 112
SER A  74
 NAD  A3001 ( 4.6A)
None
NAD  A3001 ( 4.7A)
NAD  A3001 ( 4.5A)
None
 1.34A 5ef2S-3a1nA:
undetectable
5ef2T-3a1nA:
undetectable		 5ef2S-3a1nA:
13.02
5ef2T-3a1nA:
13.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b4w ALDEHYDE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF00171
(Aldedh) 		5 GLY A 417
ALA A 408
THR A 436
ILE A 434
SER A 411
 None
 1.28A 5ef2S-3b4wA:
undetectable
5ef2T-3b4wA:
undetectable		 5ef2S-3b4wA:
10.29
5ef2T-3b4wA:
10.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b9g IAG-NUCLEOSIDE
HYDROLASE

(Trypanosoma
vivax) 		PF01156
(IU_nuc_hydro) 		5 GLY A 166
ALA A 194
THR A 284
ILE A 187
THR A 295
 None
 1.04A 5ef2S-3b9gA:
undetectable
5ef2T-3b9gA:
undetectable		 5ef2S-3b9gA:
13.11
5ef2T-3b9gA:
13.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cb5 FACT COMPLEX SUBUNIT
SPT16

(Schizosaccharomyces
pombe) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 ALA A 187
THR A 426
THR A 414
ILE A 184
SER A 191
 None
 0.97A 5ef2S-3cb5A:
undetectable
5ef2T-3cb5A:
undetectable		 5ef2S-3cb5A:
9.95
5ef2T-3cb5A:
9.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e7d COBH, PRECORRIN-8X
METHYLMUTASE

(Brucella
abortus) 		PF02570
(CbiC) 		5 GLY A 111
ALA A 117
THR A 138
ILE A 110
SER A 115
 None
 1.26A 5ef2S-3e7dA:
undetectable
5ef2T-3e7dA:
undetectable		 5ef2S-3e7dA:
17.31
5ef2T-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 GLY A 270
ALA A 238
THR A 267
ILE A 235
THR A 173
 None
None
None
None
MYR  A 315 ( 4.9A)
 1.37A 5ef2S-3ee4A:
undetectable
5ef2T-3ee4A:
undetectable		 5ef2S-3ee4A:
12.95
5ef2T-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 GLY A 208
ALA A 212
THR A 239
HIS A 204
SER A 214
 None
 1.32A 5ef2S-3eegA:
undetectable
5ef2T-3eegA:
undetectable		 5ef2S-3eegA:
17.23
5ef2T-3eegA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3f2b DNA-DIRECTED DNA
POLYMERASE III ALPHA
CHAIN

(Geobacillus
kaustophilus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ALA A 389
THR A 349
HIS A 348
ILE A 364
SER A 385
 None
None
MG  A   7 (-3.6A)
None
None
 1.41A 5ef2S-3f2bA:
undetectable
5ef2T-3f2bA:
undetectable		 5ef2S-3f2bA:
6.36
5ef2T-3f2bA:
6.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hpa AMIDOHYDROLASE

(unidentified) 		PF01979
(Amidohydro_1) 		5 GLY A 174
ALA A 140
THR A 457
ILE A 173
THR A 442
 None
 1.20A 5ef2S-3hpaA:
undetectable
5ef2T-3hpaA:
undetectable		 5ef2S-3hpaA:
10.65
5ef2T-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 GLY A 393
THR A 355
ILE A 394
THR A 189
SER A 342
 None
 1.35A 5ef2S-3hq2A:
undetectable
5ef2T-3hq2A:
undetectable		 5ef2S-3hq2A:
8.96
5ef2T-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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 GLY A  86
ALA A  94
THR A 246
ILE A  84
SER A 322
 AHZ  A 500 (-3.0A)
None
None
None
None
 1.15A 5ef2S-3jskA:
undetectable
5ef2T-3jskA:
undetectable		 5ef2S-3jskA:
13.37
5ef2T-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
 1.15A 5ef2S-3k55A:
undetectable
5ef2T-3k55A:
undetectable		 5ef2S-3k55A:
13.73
5ef2T-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.
3k5h PHOSPHORIBOSYL-AMINO
IMIDAZOLE
CARBOXYLASE

(Aspergillus
clavatus) 		PF01262
(AlaDh_PNT_C)
PF02222
(ATP-grasp) 		5 GLY A 282
ALA A 221
HIS A 277
ILE A 307
THR A 358
 None
 1.30A 5ef2S-3k5hA:
undetectable
5ef2T-3k5hA:
undetectable		 5ef2S-3k5hA:
11.53
5ef2T-3k5hA:
11.53
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.
3kto RESPONSE REGULATOR
RECEIVER PROTEIN

(Pseudoalteromonas
atlantica) 		PF00072
(Response_reg) 		5 GLY A  58
ALA A 109
HIS A  85
ILE A 128
SER A 107
 None
 1.22A 5ef2S-3ktoA:
undetectable
5ef2T-3ktoA:
undetectable		 5ef2S-3ktoA:
18.94
5ef2T-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
 1.17A 5ef2S-3l6cA:
undetectable
5ef2T-3l6cA:
undetectable		 5ef2S-3l6cA:
14.11
5ef2T-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
 1.18A 5ef2S-3l6rA:
undetectable
5ef2T-3l6rA:
undetectable		 5ef2S-3l6rA:
12.84
5ef2T-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
 1.26A 5ef2S-3l8kA:
undetectable
5ef2T-3l8kA:
undetectable		 5ef2S-3l8kA:
11.76
5ef2T-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 GLY A 237
HIS A 234
ALA A 173
THR A 416
THR A 194
 None
 1.12A 5ef2S-3q8nA:
undetectable
5ef2T-3q8nA:
undetectable		 5ef2S-3q8nA:
9.98
5ef2T-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 GLY A 160
ALA A 140
THR A 116
THR A 165
SER A 138
 None
 1.19A 5ef2S-3rwbA:
undetectable
5ef2T-3rwbA:
undetectable		 5ef2S-3rwbA:
16.06
5ef2T-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 GLY A  60
HIS A  62
HIS A 119
ILE A  58
SER A  50
 None
POP  A 182 ( 4.5A)
None
None
None
 1.37A 5ef2S-3rykA:
1.1
5ef2T-3rykA:
1.1		 5ef2S-3rykA:
18.40
5ef2T-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.
3tqo CYSTEINYL-TRNA
SYNTHETASE

(Coxiella
burnetii) 		PF01406
(tRNA-synt_1e)
PF09190
(DALR_2) 		5 HIS A 235
ALA A 212
HIS A 236
ILE A 208
SER A 214
 ZN  A 461 (-3.4A)
None
None
None
None
 1.22A 5ef2S-3tqoA:
undetectable
5ef2T-3tqoA:
undetectable		 5ef2S-3tqoA:
10.75
5ef2T-3tqoA:
10.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3txx PUTRESCINE
CARBAMOYLTRANSFERASE

(Enterococcus
faecalis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLY A 124
HIS A 130
THR A 132
ILE A 122
SER A  58
 None
 1.18A 5ef2S-3txxA:
undetectable
5ef2T-3txxA:
undetectable		 5ef2S-3txxA:
11.21
5ef2T-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.
3u0o SELENIDE, WATER
DIKINASE

(Escherichia
coli) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLY A 325
ALA A 212
THR A 320
ILE A 326
SER A 215
 None
 1.24A 5ef2S-3u0oA:
undetectable
5ef2T-3u0oA:
undetectable		 5ef2S-3u0oA:
13.79
5ef2T-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 GLY A 133
HIS A 151
THR A 152
ILE A 134
SER A 148
 None
 1.16A 5ef2S-3wpeA:
undetectable
5ef2T-3wpeA:
undetectable		 5ef2S-3wpeA:
7.17
5ef2T-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)
 0.30A 5ef2S-3zteA:
14.1
5ef2T-3zteA:
14.2		 5ef2S-3zteA:
78.21
5ef2T-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)
 0.39A 5ef2S-3zzlA:
13.0
5ef2T-3zzlA:
13.1		 5ef2S-3zzlA:
71.43
5ef2T-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)
 0.20A 5ef2S-3zzqA:
13.6
5ef2T-3zzqA:
13.6		 5ef2S-3zzqA:
80.00
5ef2T-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)
 0.23A 5ef2S-3zzsA:
13.4
5ef2T-3zzsA:
13.5		 5ef2S-3zzsA:
100.00
5ef2T-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 GLY A 228
HIS A 313
THR A 318
THR A 314
SER A 322
 NAP  A1447 (-3.2A)
NAP  A1447 (-4.3A)
None
NAP  A1447 (-4.6A)
None
 1.32A 5ef2S-4a0sA:
undetectable
5ef2T-4a0sA:
undetectable		 5ef2S-4a0sA:
10.76
5ef2T-4a0sA:
10.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4aj9 CATALASE-3

(Neurospora
crassa) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 ALA A 320
THR A 377
HIS A 249
THR A 250
ILE A 315
 None
None
HEM  A1715 (-3.9A)
None
None
 1.29A 5ef2S-4aj9A:
undetectable
5ef2T-4aj9A:
undetectable		 5ef2S-4aj9A:
8.76
5ef2T-4aj9A:
8.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b27 TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		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)
 0.32A 5ef2S-4b27A:
13.0
5ef2T-4b27A:
13.1		 5ef2S-4b27A:
76.32
5ef2T-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.
4bx9 VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 33A

(Homo sapiens) 		PF00995
(Sec1) 		5 ALA A 500
THR A 572
THR A 545
ILE A 547
SER A 504
 None
 1.14A 5ef2S-4bx9A:
undetectable
5ef2T-4bx9A:
undetectable		 5ef2S-4bx9A:
7.91
5ef2T-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.
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
 1.09A 5ef2S-4d9iA:
undetectable
5ef2T-4d9iA:
undetectable		 5ef2S-4d9iA:
11.42
5ef2T-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
 1.25A 5ef2S-4e6eA:
undetectable
5ef2T-4e6eA:
undetectable		 5ef2S-4e6eA:
12.06
5ef2T-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 ALA A  69
HIS A  54
THR A  55
ILE A  57
THR A  76
 None
 1.19A 5ef2S-4fc7A:
undetectable
5ef2T-4fc7A:
undetectable		 5ef2S-4fc7A:
16.60
5ef2T-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.
4fqd NIKO PROTEIN

(Streptomyces
tendae) 		PF00275
(EPSP_synthase) 		5 GLY A 203
ALA A 233
HIS A 207
ILE A 245
SER A 252
 None
 1.14A 5ef2S-4fqdA:
undetectable
5ef2T-4fqdA:
undetectable		 5ef2S-4fqdA:
9.50
5ef2T-4fqdA:
9.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 GLY A 389
ALA A 397
THR A 626
ILE A 387
SER A 811
 FAD  A 901 (-3.3A)
None
None
None
None
 0.99A 5ef2S-4hsuA:
undetectable
5ef2T-4hsuA:
undetectable		 5ef2S-4hsuA:
7.64
5ef2T-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.
4i15 CLASS 1
PHOSPHODIESTERASE
PDEB1

(Trypanosoma
brucei) 		PF00233
(PDEase_I) 		5 ALA A 820
THR A 680
ILE A 817
THR A 900
SER A 824
 None
 1.20A 5ef2S-4i15A:
undetectable
5ef2T-4i15A:
undetectable		 5ef2S-4i15A:
12.79
5ef2T-4i15A:
12.79
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.
4jre IMMUNOGLOBULIN
GAMMA-2A, HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY B  33
ALA B  79
THR B  53
ILE B  51
SER B  77
 None
 1.04A 5ef2S-4jreB:
undetectable
5ef2T-4jreB:
undetectable		 5ef2S-4jreB:
15.89
5ef2T-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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 HIS A  66
ALA A 103
THR A  44
THR A  40
ILE A  34
 None
 1.23A 5ef2S-4kpoA:
undetectable
5ef2T-4kpoA:
undetectable		 5ef2S-4kpoA:
15.07
5ef2T-4kpoA:
15.07
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.
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
 1.17A 5ef2S-4kprE:
undetectable
5ef2T-4kprE:
undetectable		 5ef2S-4kprE:
9.64
5ef2T-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.
4oht SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00171
(Aldedh) 		5 GLY A 390
ALA A 381
THR A 409
ILE A 407
SER A 384
 None
 1.24A 5ef2S-4ohtA:
undetectable
5ef2T-4ohtA:
undetectable		 5ef2S-4ohtA:
9.89
5ef2T-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 GLY A 213
ALA A 217
THR A 244
HIS A 209
SER A 219
 None
None
None
ZN  A 401 ( 3.4A)
None
 1.14A 5ef2S-4ov4A:
undetectable
5ef2T-4ov4A:
undetectable		 5ef2S-4ov4A:
11.11
5ef2T-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 GLY A  84
ALA A  71
HIS A 119
THR A 115
THR A  87
 None
 1.35A 5ef2S-4q0gA:
undetectable
5ef2T-4q0gA:
undetectable		 5ef2S-4q0gA:
9.33
5ef2T-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.
4ure CYCLOHEXANOL
DEHYDROGENASE

(Aromatoleum
aromaticum) 		PF13561
(adh_short_C2) 		5 GLY A 117
HIS A  69
ALA A  90
THR A  63
ILE A 113
 None
 1.28A 5ef2S-4ureA:
undetectable
5ef2T-4ureA:
undetectable		 5ef2S-4ureA:
17.32
5ef2T-4ureA:
17.32
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.
4xgn 3-HYDROXYACYL-COA
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00106
(adh_short) 		5 GLY A 164
ALA A 144
THR A 115
THR A 169
SER A 142
 None
 1.12A 5ef2S-4xgnA:
undetectable
5ef2T-4xgnA:
undetectable		 5ef2S-4xgnA:
13.85
5ef2T-4xgnA:
13.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		5 GLY A 162
ALA A 167
THR A 150
THR A 142
THR A 195
 None
 1.09A 5ef2S-4yjiA:
undetectable
5ef2T-4yjiA:
undetectable		 5ef2S-4yjiA:
9.31
5ef2T-4yjiA:
9.31
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.
5dx5 METHIONINE
GAMMA-LYASE

(Clostridium
sporogenes) 		PF01053
(Cys_Met_Meta_PP) 		5 GLY A 245
ALA A  85
THR A 244
ILE A 240
SER A  87
 None
None
None
None
PLP  A 501 (-3.7A)
 1.31A 5ef2S-5dx5A:
undetectable
5ef2T-5dx5A:
undetectable		 5ef2S-5dx5A:
11.50
5ef2T-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
 0.25A 5ef2S-5eexA:
15.8
5ef2T-5eexA:
15.8		 5ef2S-5eexA:
100.00
5ef2T-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.
5f9p ANTHRONE
OXIDASE-LIKE PROTEIN

(Streptomyces
ambofaciens) 		PF03992
(ABM) 		5 GLY A 117
HIS A 226
THR A  48
ILE A 116
SER A 229
 None
 1.37A 5ef2S-5f9pA:
undetectable
5ef2T-5f9pA:
undetectable		 5ef2S-5f9pA:
15.35
5ef2T-5f9pA:
15.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.26A 5ef2S-5habA:
undetectable
5ef2T-5habA:
undetectable		 5ef2S-5habA:
12.91
5ef2T-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
 1.17A 5ef2S-5hzkB:
undetectable
5ef2T-5hzkB:
undetectable		 5ef2S-5hzkB:
9.11
5ef2T-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 ALA A 293
HIS A 802
THR A 624
ILE A 283
SER A 817
 None
 1.31A 5ef2S-5l3dA:
undetectable
5ef2T-5l3dA:
undetectable		 5ef2S-5l3dA:
6.27
5ef2T-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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 GLY A 285
ALA A 293
THR A 624
ILE A 283
SER A 817
 FAD  A 901 (-3.3A)
None
None
None
None
 0.97A 5ef2S-5l3dA:
undetectable
5ef2T-5l3dA:
undetectable		 5ef2S-5l3dA:
6.27
5ef2T-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
 1.12A 5ef2S-5lgcA:
undetectable
5ef2T-5lgcA:
undetectable		 5ef2S-5lgcA:
17.89
5ef2T-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.
5nnn CTATC

(Chaetomium
thermophilum) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 GLY A2074
HIS A2081
THR A2083
ILE A2072
SER A2008
 None
 1.15A 5ef2S-5nnnA:
undetectable
5ef2T-5nnnA:
undetectable		 5ef2S-5nnnA:
15.08
5ef2T-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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		5 GLY A 172
ALA A 180
THR A 190
ILE A 175
SER A 186
 None
 1.18A 5ef2S-5o1mA:
undetectable
5ef2T-5o1mA:
undetectable		 5ef2S-5o1mA:
12.64
5ef2T-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.
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
 1.20A 5ef2S-5w1jA:
undetectable
5ef2T-5w1jA:
undetectable		 5ef2S-5w1jA:
8.72
5ef2T-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.
5xge UNCHARACTERIZED
PROTEIN PA0861

(Pseudomonas
aeruginosa) 		no annotation 5 GLY A 755
HIS A 756
HIS A 753
THR A 762
ILE A 751
 None
 1.41A 5ef2S-5xgeA:
undetectable
5ef2T-5xgeA:
undetectable		 5ef2S-5xgeA:
undetectable
5ef2T-5xgeA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 5 GLY C  65
ALA C 278
HIS C 271
ILE C 138
SER C 276
 None
 1.37A 5ef2S-5y6qC:
undetectable
5ef2T-5y6qC:
undetectable		 5ef2S-5y6qC:
undetectable
5ef2T-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
 1.19A 5ef2S-5y6rA:
undetectable
5ef2T-5y6rA:
undetectable		 5ef2S-5y6rA:
undetectable
5ef2T-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 GLY A 147
ALA A 622
THR A 627
ILE A 148
SER A 618
 SO4  A 706 ( 4.4A)
None
None
None
None
 1.30A 5ef2S-5y6rA:
undetectable
5ef2T-5y6rA:
undetectable		 5ef2S-5y6rA:
undetectable
5ef2T-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
 1.08A 5ef2S-5ygrA:
undetectable
5ef2T-5ygrA:
undetectable		 5ef2S-5ygrA:
undetectable
5ef2T-5ygrA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z73 ALR0819 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 GLY A  34
ALA A  60
THR A  35
ILE A  71
SER A  58
 None
 1.22A 5ef2S-5z73A:
undetectable
5ef2T-5z73A:
undetectable		 5ef2S-5z73A:
undetectable
5ef2T-5z73A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zln TOLL-LIKE RECEPTOR 9

(Mus musculus) 		no annotation 5 GLY A 134
HIS A 152
THR A 153
ILE A 135
SER A 149
 None
 1.11A 5ef2S-5zlnA:
undetectable
5ef2T-5zlnA:
undetectable		 5ef2S-5zlnA:
undetectable
5ef2T-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.
6fuy VINCULIN

(Homo sapiens) 		no annotation 5 GLY A 222
ALA A 691
THR A 214
THR A 215
ILE A 681
 None
 1.23A 5ef2S-6fuyA:
undetectable
5ef2T-6fuyA:
undetectable		 5ef2S-6fuyA:
undetectable
5ef2T-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.
6geb DOTB

(Legionella
pneumophila) 		no annotation 5 GLY A 150
ALA A 245
THR A 290
ILE A 151
THR A 251
 None
 1.13A 5ef2S-6gebA:
undetectable
5ef2T-6gebA:
undetectable		 5ef2S-6gebA:
undetectable
5ef2T-6gebA:
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 GLY A 164
ALA A 260
THR A 305
ILE A 165
THR A 266
 GLY  A 164 ( 0.0A)
ALA  A 260 ( 0.0A)
THR  A 305 ( 0.8A)
ILE  A 165 ( 0.7A)
THR  A 266 ( 0.8A)
 1.12A 5ef2S-6gefA:
undetectable
5ef2T-6gefA:
undetectable		 5ef2S-6gefA:
undetectable
5ef2T-6gefA:
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 GLY A 164
HIS A 268
ALA A 260
ILE A 165
THR A 266
 GLY  A 164 ( 0.0A)
HIS  A 268 ( 1.0A)
ALA  A 260 ( 0.0A)
ILE  A 165 ( 0.7A)
THR  A 266 ( 0.8A)
 1.31A 5ef2S-6gefA:
undetectable
5ef2T-6gefA:
undetectable		 5ef2S-6gefA:
undetectable
5ef2T-6gefA:
undetectable