SIMILAR PATTERNS OF AMINO ACIDS FOR 1GTN_C_TRPC81

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.
1fui L-FUCOSE ISOMERASE

(Escherichia
coli) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ALA A 123
GLY A 109
ALA A 124
THR A  87
ILE A 107
 None
 1.20A 1gtnB-1fuiA:
undetectable
1gtnC-1fuiA:
undetectable		 1gtnB-1fuiA:
8.97
1gtnC-1fuiA:
8.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 THR A 259
SER A 389
ALA A 388
GLY A 264
THR A 119
 CL  A 541 (-3.9A)
FAD  A 800 (-4.3A)
None
None
None
 1.13A 1gtnB-1knrA:
undetectable
1gtnC-1knrA:
undetectable		 1gtnB-1knrA:
9.07
1gtnC-1knrA:
9.07
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.
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
 1.16A 1gtnB-1l5jA:
0.0
1gtnC-1l5jA:
0.0		 1gtnB-1l5jA:
7.07
1gtnC-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.
1nyq THREONYL-TRNA
SYNTHETASE 1

(Staphylococcus
aureus) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		5 ARG A 421
SER A 423
ALA A 465
ALA A 466
THR A 488
 None
None
None
None
TSB  A1002 ( 4.5A)
 1.19A 1gtnB-1nyqA:
0.0
1gtnC-1nyqA:
0.0		 1gtnB-1nyqA:
7.93
1gtnC-1nyqA:
7.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1odi PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermus
thermophilus) 		PF01048
(PNP_UDP_1) 		5 SER A  95
ALA A  94
GLY A 151
ALA A 177
ILE A 104
 None
 0.98A 1gtnB-1odiA:
undetectable
1gtnC-1odiA:
0.0		 1gtnB-1odiA:
14.71
1gtnC-1odiA:
14.71
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.
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 1gtnB-1q8fA:
undetectable
1gtnC-1q8fA:
undetectable		 1gtnB-1q8fA:
13.50
1gtnC-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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 THR A 239
ALA A  54
GLY A  46
ALA A  55
ILE A  68
 None
None
AHZ  A 600 (-3.1A)
None
None
 1.09A 1gtnB-1rp0A:
0.0
1gtnC-1rp0A:
undetectable		 1gtnB-1rp0A:
14.98
1gtnC-1rp0A:
14.98
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.
1t1s 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Escherichia
coli) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 THR A 282
ALA A 122
ALA A  99
THR A  16
ILE A   5
 None
 1.22A 1gtnB-1t1sA:
undetectable
1gtnC-1t1sA:
undetectable		 1gtnB-1t1sA:
10.46
1gtnC-1t1sA:
10.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t5o TRANSLATION
INITIATION FACTOR
EIF2B, SUBUNIT DELTA

(Archaeoglobus
fulgidus) 		PF01008
(IF-2B) 		5 ARG A 132
THR A 269
ALA A  47
GLY A 232
THR A 166
 None
 1.07A 1gtnB-1t5oA:
undetectable
1gtnC-1t5oA:
undetectable		 1gtnB-1t5oA:
13.33
1gtnC-1t5oA:
13.33
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.
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
 1.15A 1gtnB-1v9cA:
undetectable
1gtnC-1v9cA:
undetectable		 1gtnB-1v9cA:
19.25
1gtnC-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
 1.13A 1gtnB-1vm7A:
undetectable
1gtnC-1vm7A:
undetectable		 1gtnB-1vm7A:
12.22
1gtnC-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.
1xhl SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY MEMBER
(5L265), PUTATIVE
TROPINONE
REDUCTASE-II

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		5 THR A  46
ALA A  23
GLY A  17
ALA A  22
ILE A  18
 None
None
NDP  A1278 (-3.1A)
None
NDP  A1278 (-4.0A)
 1.11A 1gtnB-1xhlA:
undetectable
1gtnC-1xhlA:
undetectable		 1gtnB-1xhlA:
16.80
1gtnC-1xhlA:
16.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y6j L-LACTATE
DEHYDROGENASE

(Ruminiclostridium
thermocellum) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 239
GLY A  14
ALA A  22
THR A  81
ILE A  12
 None
 1.10A 1gtnB-1y6jA:
undetectable
1gtnC-1y6jA:
undetectable		 1gtnB-1y6jA:
15.48
1gtnC-1y6jA:
15.48
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.
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 1gtnB-1yy5A:
undetectable
1gtnC-1yy5A:
undetectable		 1gtnB-1yy5A:
9.73
1gtnC-1yy5A:
9.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z0f RAB14, MEMBER RAS
ONCOGENE FAMILY

(Homo sapiens) 		PF00071
(Ras) 		5 ARG A  82
GLY A  86
ALA A 109
THR A 117
ILE A 119
 None
 1.03A 1gtnB-1z0fA:
undetectable
1gtnC-1z0fA:
undetectable		 1gtnB-1z0fA:
16.57
1gtnC-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.
2d4a MALATE DEHYDROGENASE

(Aeropyrum
pernix) 		no annotation 5 ALA B 226
GLY B   6
THR B 115
THR B  74
ILE B   4
 None
 1.22A 1gtnB-2d4aB:
undetectable
1gtnC-2d4aB:
undetectable		 1gtnB-2d4aB:
15.15
1gtnC-2d4aB:
15.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dw4 LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 ALA A 292
GLY A 285
ALA A 293
THR A 624
ILE A 283
 None
FAD  A1001 (-3.2A)
None
FAD  A1001 (-4.9A)
None
 1.08A 1gtnB-2dw4A:
undetectable
1gtnC-2dw4A:
undetectable		 1gtnB-2dw4A:
8.15
1gtnC-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.
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 1gtnB-2dw4A:
undetectable
1gtnC-2dw4A:
undetectable		 1gtnB-2dw4A:
8.15
1gtnC-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.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC

(Salmonella
enterica) 		PF00291
(PALP) 		5 SER A 219
ALA A 218
GLY A 184
ALA A 217
ILE A 183
 None
None
LLP  A  58 ( 3.5A)
None
None
 1.10A 1gtnB-2gn1A:
undetectable
1gtnC-2gn1A:
undetectable		 1gtnB-2gn1A:
11.99
1gtnC-2gn1A:
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.
2gn1 THREONINE
DEHYDRATASE
CATABOLIC

(Salmonella
enterica) 		PF00291
(PALP) 		5 SER A 219
ALA A 218
GLY A 185
ALA A 217
ILE A 183
 None
None
LLP  A  58 ( 3.8A)
None
None
 1.13A 1gtnB-2gn1A:
undetectable
1gtnC-2gn1A:
undetectable		 1gtnB-2gn1A:
11.99
1gtnC-2gn1A:
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.
2hlp MALATE DEHYDROGENASE

(Haloarcula
marismortui) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 ALA A 251
GLY A  28
ALA A  36
THR A 138
THR A  97
 None
 1.13A 1gtnB-2hlpA:
undetectable
1gtnC-2hlpA:
undetectable		 1gtnB-2hlpA:
14.62
1gtnC-2hlpA:
14.62
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.
2nrh TRANSCRIPTIONAL
ACTIVATOR, PUTATIVE,
BAF FAMILY

(Campylobacter
jejuni) 		PF03309
(Pan_kinase) 		5 THR A  95
ALA A  78
GLY A  72
ALA A  77
ILE A  73
 None
 1.08A 1gtnB-2nrhA:
undetectable
1gtnC-2nrhA:
undetectable		 1gtnB-2nrhA:
18.14
1gtnC-2nrhA:
18.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oqb HISTONE-ARGININE
METHYLTRANSFERASE
CARM1

(Rattus
norvegicus) 		PF11531
(CARM1) 		5 SER A  86
ALA A  67
ALA A  68
THR A  89
ILE A  70
 None
 1.19A 1gtnB-2oqbA:
undetectable
1gtnC-2oqbA:
undetectable		 1gtnB-2oqbA:
21.05
1gtnC-2oqbA:
21.05
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.
2oxt NUCLEOSIDE-2'-O-METH
YLTRANSFERASE

(Meaban virus) 		PF01728
(FtsJ) 		5 SER A  94
ALA A  93
GLY A  87
ALA A  92
THR A  60
 None
None
SAM  A 300 (-3.2A)
None
None
 1.18A 1gtnB-2oxtA:
undetectable
1gtnC-2oxtA:
undetectable		 1gtnB-2oxtA:
11.76
1gtnC-2oxtA:
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.
2pbg 6-PHOSPHO-BETA-D-GAL
ACTOSIDASE

(Lactococcus
lactis) 		PF00232
(Glyco_hydro_1) 		5 THR A 250
ALA A 287
GLY A 213
THR A 157
ILE A 212
 None
 1.20A 1gtnB-2pbgA:
undetectable
1gtnC-2pbgA:
undetectable		 1gtnB-2pbgA:
10.65
1gtnC-2pbgA:
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.
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
 1.23A 1gtnB-2xzlA:
undetectable
1gtnC-2xzlA:
undetectable		 1gtnB-2xzlA:
7.24
1gtnC-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.
3aex THREONINE SYNTHASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 ALA A 293
GLY A 187
ALA A 292
THR A 317
ILE A 241
 None
AN7  A1001 (-3.5A)
None
AN7  A1001 (-2.8A)
AN7  A1001 (-4.7A)
 1.04A 1gtnB-3aexA:
undetectable
1gtnC-3aexA:
undetectable		 1gtnB-3aexA:
11.36
1gtnC-3aexA:
11.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.99A 1gtnB-3b9gA:
undetectable
1gtnC-3b9gA:
undetectable		 1gtnB-3b9gA:
13.11
1gtnC-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.
3byw PUTATIVE
ARABINOFURANOSYLTRAN
SFERASE

(Corynebacterium
diphtheriae) 		PF04602
(Arabinose_trans) 		5 ALA A  67
GLY A  86
ALA A 188
THR A  87
ILE A 169
 None
 1.18A 1gtnB-3bywA:
undetectable
1gtnC-3bywA:
undetectable		 1gtnB-3bywA:
22.45
1gtnC-3bywA:
22.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cb5 FACT COMPLEX SUBUNIT
SPT16

(Schizosaccharomyces
pombe) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 SER A 191
ALA A 187
THR A 426
THR A 414
ILE A 184
 None
 0.97A 1gtnB-3cb5A:
undetectable
1gtnC-3cb5A:
undetectable		 1gtnB-3cb5A:
9.95
1gtnC-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.
3csk PROBABLE
DIPEPTIDYL-PEPTIDASE
3

(Saccharomyces
cerevisiae) 		PF03571
(Peptidase_M49) 		5 ALA A  42
GLY A 322
ALA A  39
THR A 391
ILE A 321
 None
 1.14A 1gtnB-3cskA:
undetectable
1gtnC-3cskA:
undetectable		 1gtnB-3cskA:
7.05
1gtnC-3cskA:
7.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dp7 SAM-DEPENDENT
METHYLTRANSFERASE

(Bacteroides
vulgatus) 		PF00891
(Methyltransf_2) 		5 ALA A  66
GLY A  58
ALA A  67
THR A  60
ILE A  56
 None
 1.20A 1gtnB-3dp7A:
undetectable
1gtnC-3dp7A:
undetectable		 1gtnB-3dp7A:
15.60
1gtnC-3dp7A:
15.60
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.
3fao NON-STRUCTURAL
PROTEIN

(Porcine
reproductive
and respiratory
syndrome virus) 		PF05579
(Peptidase_S32) 		5 ALA A  38
GLY A 149
ALA A  66
THR A 134
THR A 145
 None
 1.18A 1gtnB-3faoA:
undetectable
1gtnC-3faoA:
undetectable		 1gtnB-3faoA:
18.44
1gtnC-3faoA:
18.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fdi UNCHARACTERIZED
PROTEIN

(Eubacterium
ventriosum) 		PF13189
(Cytidylate_kin2) 		5 ALA A  24
GLY A  16
HIS A  17
THR A 186
ILE A   8
 None
SO4  A2003 (-3.6A)
None
None
None
 1.04A 1gtnB-3fdiA:
undetectable
1gtnC-3fdiA:
undetectable		 1gtnB-3fdiA:
22.44
1gtnC-3fdiA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hur ALANINE RACEMASE

(Oenococcus oeni) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ARG A  26
THR A  57
ALA A  60
ALA A  36
ILE A 228
 None
 1.23A 1gtnB-3hurA:
undetectable
1gtnC-3hurA:
undetectable		 1gtnB-3hurA:
11.51
1gtnC-3hurA:
11.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ihm STYRENE
MONOOXYGENASE A

(Pseudomonas
putida) 		no annotation 5 ARG A  57
SER A 312
ALA A 311
ALA A 308
THR A  54
 None
 1.10A 1gtnB-3ihmA:
undetectable
1gtnC-3ihmA:
undetectable		 1gtnB-3ihmA:
9.65
1gtnC-3ihmA:
9.65
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.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 SER A 322
GLY A  86
ALA A  94
THR A 246
ILE A  84
 None
AHZ  A 500 (-3.0A)
None
None
None
 1.13A 1gtnB-3jskA:
undetectable
1gtnC-3jskA:
undetectable		 1gtnB-3jskA:
13.37
1gtnC-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.
3kto RESPONSE REGULATOR
RECEIVER PROTEIN

(Pseudoalteromonas
atlantica) 		PF00072
(Response_reg) 		5 SER A 107
ALA A 106
GLY A  72
ALA A 103
THR A  88
 None
 1.14A 1gtnB-3ktoA:
undetectable
1gtnC-3ktoA:
undetectable		 1gtnB-3ktoA:
18.94
1gtnC-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.
3nix FLAVOPROTEIN/DEHYDRO
GENASE

(Cytophaga
hutchinsonii) 		PF01494
(FAD_binding_3) 		5 THR A 293
ALA A  20
GLY A  12
ALA A  21
ILE A  33
 None
None
FAD  A 501 (-3.2A)
None
None
 0.99A 1gtnB-3nixA:
undetectable
1gtnC-3nixA:
undetectable		 1gtnB-3nixA:
11.11
1gtnC-3nixA:
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.
3on3 KETO/OXOACID
FERREDOXIN
OXIDOREDUCTASE,
GAMMA SUBUNIT

(Geobacter
sulfurreducens) 		PF01558
(POR) 		5 SER A  29
ALA A  28
GLY A  21
ALA A  27
ILE A  23
 None
 0.99A 1gtnB-3on3A:
undetectable
1gtnC-3on3A:
undetectable		 1gtnB-3on3A:
15.68
1gtnC-3on3A:
15.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ot5 UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Listeria
monocytogenes) 		PF02350
(Epimerase_2) 		5 ALA A 105
GLY A  11
ALA A 106
THR A  40
ILE A   9
 None
 1.06A 1gtnB-3ot5A:
undetectable
1gtnC-3ot5A:
undetectable		 1gtnB-3ot5A:
13.22
1gtnC-3ot5A:
13.22
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.
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
 1.22A 1gtnB-3q8nA:
undetectable
1gtnC-3q8nA:
undetectable		 1gtnB-3q8nA:
9.98
1gtnC-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.
3qj4 RENALASE

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		5 SER A 330
ALA A 331
GLY A   8
THR A 160
ILE A   6
 None
None
FAD  A 401 (-3.3A)
None
None
 1.18A 1gtnB-3qj4A:
undetectable
1gtnC-3qj4A:
undetectable		 1gtnB-3qj4A:
12.68
1gtnC-3qj4A:
12.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rv2 S-ADENOSYLMETHIONINE
SYNTHASE

(Mycobacterium
marinum) 		PF00438
(S-AdoMet_synt_N)
PF02772
(S-AdoMet_synt_M)
PF02773
(S-AdoMet_synt_C) 		5 ARG A 383
ALA A 376
GLY A  16
ALA A  24
ILE A  81
 None
 1.04A 1gtnB-3rv2A:
undetectable
1gtnC-3rv2A:
undetectable		 1gtnB-3rv2A:
13.33
1gtnC-3rv2A:
13.33
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.
3swe UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Haemophilus
influenzae) 		PF00275
(EPSP_synthase) 		5 ALA A 178
GLY A 130
ALA A 175
THR A 156
ILE A 171
 None
 1.23A 1gtnB-3sweA:
undetectable
1gtnC-3sweA:
undetectable		 1gtnB-3sweA:
12.56
1gtnC-3sweA:
12.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3swx PROBABLE ENOYL-COA
HYDRATASE/ISOMERASE

(Mycobacteroides
abscessus) 		PF00378
(ECH_1) 		5 ALA A 120
GLY A 178
ALA A 117
THR A 153
ILE A 179
 None
 1.15A 1gtnB-3swxA:
undetectable
1gtnC-3swxA:
undetectable		 1gtnB-3swxA:
14.72
1gtnC-3swxA:
14.72
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.
3tm9 BACTERIAL HEMOGLOBIN

(Vitreoscilla
stercoraria) 		PF00042
(Globin) 		5 ALA A 113
HIS A  20
ALA A 114
THR A  13
ILE A 106
 None
 1.12A 1gtnB-3tm9A:
undetectable
1gtnC-3tm9A:
undetectable		 1gtnB-3tm9A:
22.70
1gtnC-3tm9A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3toy MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Bradyrhizobium
sp. ORS 278) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ALA A 110
GLY A   8
THR A  46
THR A  40
ILE A   6
 None
 1.22A 1gtnB-3toyA:
undetectable
1gtnC-3toyA:
undetectable		 1gtnB-3toyA:
11.81
1gtnC-3toyA:
11.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3uf6 LMO1369 PROTEIN

(Listeria
monocytogenes) 		PF01515
(PTA_PTB) 		5 ALA A  75
HIS A 100
ALA A  21
THR A  65
ILE A  92
 None
 1.23A 1gtnB-3uf6A:
undetectable
1gtnC-3uf6A:
undetectable		 1gtnB-3uf6A:
15.97
1gtnC-3uf6A:
15.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 ALA A 546
GLY A 569
HIS A 568
ALA A 545
THR A 539
 None
 1.17A 1gtnB-3w5nA:
2.0
1gtnC-3w5nA:
2.1		 1gtnB-3w5nA:
5.72
1gtnC-3w5nA:
5.72
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) 		5 GLY A  23
HIS A  34
THR A  49
THR A  52
ILE A  55
 TRP  A  80 (-3.5A)
TRP  A  80 ( 4.9A)
TRP  A  80 (-2.8A)
TRP  A  80 (-3.6A)
TRP  A  80 ( 4.6A)
 0.26A 1gtnB-3zteA:
14.5
1gtnC-3zteA:
14.5		 1gtnB-3zteA:
78.21
1gtnC-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) 		5 ALA A  46
GLY A  23
HIS A  34
THR A  49
THR A  52
 TRP  A  81 ( 3.7A)
TRP  A  81 (-3.5A)
TRP  A  81 ( 4.7A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.7A)
 0.94A 1gtnB-3zzlA:
13.2
1gtnC-3zzlA:
13.2		 1gtnB-3zzlA:
71.43
1gtnC-3zzlA:
71.43
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) 		5 GLY A  23
HIS A  34
ALA A  46
THR A  49
THR A  52
 TRP  A  81 (-3.5A)
TRP  A  81 ( 4.7A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.7A)
 0.24A 1gtnB-3zzlA:
13.2
1gtnC-3zzlA:
13.2		 1gtnB-3zzlA:
71.43
1gtnC-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) 		5 ALA A  46
GLY A  23
HIS A  34
THR A  49
THR A  52
 TRP  A  81 ( 3.7A)
TRP  A  81 (-3.4A)
TRP  A  81 ( 4.9A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.8A)
 1.08A 1gtnB-3zzqA:
13.7
1gtnC-3zzqA:
13.7		 1gtnB-3zzqA:
80.00
1gtnC-3zzqA:
80.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zzq TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		6 GLY A  23
HIS A  34
ALA A  46
THR A  49
THR A  52
ILE A  55
 TRP  A  81 (-3.4A)
TRP  A  81 ( 4.9A)
TRP  A  81 ( 3.7A)
TRP  A  81 ( 2.9A)
TRP  A  81 (-3.8A)
TRP  A  81 ( 4.4A)
 0.19A 1gtnB-3zzqA:
13.7
1gtnC-3zzqA:
13.7		 1gtnB-3zzqA:
80.00
1gtnC-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) 		5 ALA A  46
GLY A  23
HIS A  34
THR A  49
THR A  52
 TRP  A1072 ( 3.8A)
TRP  A1072 (-3.5A)
TRP  A1072 ( 4.7A)
TRP  A1072 (-2.9A)
TRP  A1072 (-3.8A)
 1.08A 1gtnB-3zzsA:
13.7
1gtnC-3zzsA:
13.7		 1gtnB-3zzsA:
100.00
1gtnC-3zzsA:
100.00
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) 		6 GLY A  23
HIS A  34
ALA A  46
THR A  49
THR A  52
ILE A  55
 TRP  A1072 (-3.5A)
TRP  A1072 ( 4.7A)
TRP  A1072 ( 3.8A)
TRP  A1072 (-2.9A)
TRP  A1072 (-3.8A)
TRP  A1072 ( 4.4A)
 0.10A 1gtnB-3zzsA:
13.7
1gtnC-3zzsA:
13.7		 1gtnB-3zzsA:
100.00
1gtnC-3zzsA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4b27 TRANSCRIPTION
ATTENUATION PROTEIN
MTRB

(Bacillus
subtilis) 		PF02081
(TrpBP) 		5 ALA A  46
GLY A  23
HIS A  34
THR A  49
THR A  52
 ALA  A  46 ( 0.0A)
GLY  A  23 (-0.0A)
HIS  A  34 ( 1.0A)
THR  A  49 (-0.8A)
THR  A  52 (-0.8A)
 1.12A 1gtnB-4b27A:
13.2
1gtnC-4b27A:
13.2		 1gtnB-4b27A:
76.32
1gtnC-4b27A:
76.32
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) 		6 GLY A  23
HIS A  34
ALA A  46
THR A  49
THR A  52
ILE A  55
 GLY  A  23 (-0.0A)
HIS  A  34 ( 1.0A)
ALA  A  46 ( 0.0A)
THR  A  49 (-0.8A)
THR  A  52 (-0.8A)
ILE  A  55 ( 0.6A)
 0.19A 1gtnB-4b27A:
13.2
1gtnC-4b27A:
13.2		 1gtnB-4b27A:
76.32
1gtnC-4b27A:
76.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bu0 S-M CHECKPOINT
CONTROL PROTEIN RAD4

(Schizosaccharomyces
pombe) 		PF12738
(PTCB-BRCT) 		5 ARG A  37
ALA A  34
HIS A  46
ALA A  29
ILE A  25
 None
None
GOL  A1187 (-4.7A)
None
None
 1.17A 1gtnB-4bu0A:
undetectable
1gtnC-4bu0A:
undetectable		 1gtnB-4bu0A:
16.76
1gtnC-4bu0A:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bu0 S-M CHECKPOINT
CONTROL PROTEIN RAD4

(Schizosaccharomyces
pombe) 		PF12738
(PTCB-BRCT) 		5 ARG A  37
THR A  45
ALA A  34
HIS A  46
ALA A  29
 None
GOL  A1187 ( 3.9A)
None
GOL  A1187 (-4.7A)
None
 1.23A 1gtnB-4bu0A:
undetectable
1gtnC-4bu0A:
undetectable		 1gtnB-4bu0A:
16.76
1gtnC-4bu0A:
16.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1gtnB-4bx9A:
undetectable
1gtnC-4bx9A:
undetectable		 1gtnB-4bx9A:
7.91
1gtnC-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.
4cta CINA-LIKE PROTEIN

(Thermus
thermophilus) 		PF00994
(MoCF_biosynth)
PF02464
(CinA) 		5 THR A 271
ALA A 388
GLY A 276
THR A 266
ILE A 279
 None
 1.11A 1gtnB-4ctaA:
undetectable
1gtnC-4ctaA:
undetectable		 1gtnB-4ctaA:
12.96
1gtnC-4ctaA:
12.96
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.
4fc4 NITRITE TRANSPORTER
NIRC

(Salmonella
enterica) 		PF01226
(Form_Nir_trans) 		5 THR A 108
SER A  20
HIS A  83
ALA A  17
ILE A  96
 None
 1.22A 1gtnB-4fc4A:
undetectable
1gtnC-4fc4A:
undetectable		 1gtnB-4fc4A:
15.23
1gtnC-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.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 ALA A 365
GLY A 358
ALA A 366
THR A 418
ILE A 356
 None
AMP  A 602 (-3.6A)
None
None
None
 1.14A 1gtnB-4gvlA:
undetectable
1gtnC-4gvlA:
undetectable		 1gtnB-4gvlA:
10.47
1gtnC-4gvlA:
10.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gvl TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N) 		5 ALA A 365
HIS A 359
ALA A 366
THR A 418
ILE A 416
 None
ZN  A 601 (-3.4A)
None
None
None
 1.05A 1gtnB-4gvlA:
undetectable
1gtnC-4gvlA:
undetectable		 1gtnB-4gvlA:
10.47
1gtnC-4gvlA:
10.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		5 ALA A 365
GLY A 358
ALA A 366
THR A 418
ILE A 356
 None
 1.12A 1gtnB-4gx0A:
undetectable
1gtnC-4gx0A:
undetectable		 1gtnB-4gx0A:
8.70
1gtnC-4gx0A:
8.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gx0 TRKA DOMAIN PROTEIN

(Geobacter
sulfurreducens) 		PF02080
(TrkA_C)
PF02254
(TrkA_N)
PF07885
(Ion_trans_2) 		5 ALA A 365
HIS A 359
ALA A 366
THR A 418
ILE A 416
 None
ZN  A 606 (-3.5A)
None
None
None
 1.13A 1gtnB-4gx0A:
undetectable
1gtnC-4gx0A:
undetectable		 1gtnB-4gx0A:
8.70
1gtnC-4gx0A:
8.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h6x THIAZOLINE
OXIDASE/SUBTILISIN-L
IKE PROTEASE

(Prochloron
didemni) 		PF00082
(Peptidase_S8) 		5 ALA A 786
HIS A 618
ALA A 785
THR A 625
ILE A 766
 None
 1.12A 1gtnB-4h6xA:
undetectable
1gtnC-4h6xA:
undetectable		 1gtnB-4h6xA:
13.06
1gtnC-4h6xA:
13.06
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 SER A 811
GLY A 389
ALA A 397
THR A 626
ILE A 387
 None
FAD  A 901 (-3.3A)
None
None
None
 0.94A 1gtnB-4hsuA:
undetectable
1gtnC-4hsuA:
undetectable		 1gtnB-4hsuA:
7.64
1gtnC-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
 1.18A 1gtnB-4kprE:
undetectable
1gtnC-4kprE:
undetectable		 1gtnB-4kprE:
9.64
1gtnC-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.
4lsb LYASE/MUTASE

(Burkholderia
cenocepacia) 		PF13714
(PEP_mutase) 		5 ALA A 139
GLY A  91
ALA A 140
THR A 102
ILE A 116
 None
 1.23A 1gtnB-4lsbA:
undetectable
1gtnC-4lsbA:
undetectable		 1gtnB-4lsbA:
15.42
1gtnC-4lsbA:
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.
4lx4 ENDOGLUCANASE(ENDO-1
,4-BETA-GLUCANASE)PR
OTEIN

(Pseudomonas
stutzeri) 		PF00150
(Cellulase) 		5 THR A 148
ALA A 155
GLY A 176
ALA A 156
ILE A 174
 None
 0.87A 1gtnB-4lx4A:
undetectable
1gtnC-4lx4A:
undetectable		 1gtnB-4lx4A:
13.42
1gtnC-4lx4A:
13.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lz6 BH2163 PROTEIN

(Bacillus
halodurans) 		PF01554
(MatE) 		5 SER A 271
GLY A  55
THR A 129
THR A 132
ILE A  58
 None
 1.10A 1gtnB-4lz6A:
undetectable
1gtnC-4lz6A:
undetectable		 1gtnB-4lz6A:
11.37
1gtnC-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.
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
 1.22A 1gtnB-4ohtA:
undetectable
1gtnC-4ohtA:
undetectable		 1gtnB-4ohtA:
9.89
1gtnC-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.
4qgs ALCOHOL
DEHYDROGENASE YQHD

(Escherichia
coli) 		PF00465
(Fe-ADH) 		5 SER A 129
ALA A 130
GLY A 124
ALA A 106
ILE A 119
 None
 1.11A 1gtnB-4qgsA:
undetectable
1gtnC-4qgsA:
undetectable		 1gtnB-4qgsA:
11.89
1gtnC-4qgsA:
11.89
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.
4qn8 VIPE

(Legionella
pneumophila) 		no annotation 5 ALA A 107
GLY A  68
HIS A 112
ALA A 104
THR A  80
 None
 1.11A 1gtnB-4qn8A:
undetectable
1gtnC-4qn8A:
undetectable		 1gtnB-4qn8A:
18.12
1gtnC-4qn8A:
18.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4usi NITROGEN REGULATORY
PROTEIN PII

(Chlamydomonas
reinhardtii) 		PF00543
(P-II) 		5 ARG A  29
THR A  36
ALA A  97
ALA A  96
ILE A 109
 None
 1.23A 1gtnB-4usiA:
undetectable
1gtnC-4usiA:
undetectable		 1gtnB-4usiA:
25.17
1gtnC-4usiA:
25.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uug AMINE TRANSAMINASE

(Aspergillus
fumigatus) 		PF01063
(Aminotran_4) 		5 ARG A 196
ALA A 160
GLY A 213
THR A 163
ILE A 218
 None
 1.20A 1gtnB-4uugA:
undetectable
1gtnC-4uugA:
undetectable		 1gtnB-4uugA:
12.62
1gtnC-4uugA:
12.62
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.
4yhs MONOSACCHARIDE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN, CUT2 FAMILY

(Bradyrhizobium
sp. BTAi1) 		PF13407
(Peripla_BP_4) 		5 ALA A 274
GLY A 284
ALA A 293
THR A 278
ILE A 285
 None
 1.06A 1gtnB-4yhsA:
undetectable
1gtnC-4yhsA:
undetectable		 1gtnB-4yhsA:
14.02
1gtnC-4yhsA:
14.02
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.
5ay9 4-O-BETA-D-MANNOSYL-
D-GLUCOSE
PHOSPHORYLASE

(Ruminococcus
albus) 		PF04041
(Glyco_hydro_130) 		5 ALA A  74
GLY A 255
ALA A 325
THR A 322
ILE A 268
 None
 1.19A 1gtnB-5ay9A:
undetectable
1gtnC-5ay9A:
undetectable		 1gtnB-5ay9A:
12.60
1gtnC-5ay9A:
12.60
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.
5dgq PUTATIVE
ENDOGLUCANASE-RELATE
D PROTEIN

(Photobacterium
profundum) 		PF00759
(Glyco_hydro_9) 		5 ALA A 244
GLY A 290
HIS A 293
ALA A 250
ILE A 254
 None
 1.07A 1gtnB-5dgqA:
undetectable
1gtnC-5dgqA:
undetectable		 1gtnB-5dgqA:
8.27
1gtnC-5dgqA:
8.27
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.
5dqp EDTA MONOOXYGENASE

(EDTA-degrading
bacterium BNC1) 		PF00296
(Bac_luciferase) 		5 ARG A 252
ALA A 250
GLY A 227
THR A 261
ILE A 230
 None
 0.99A 1gtnB-5dqpA:
undetectable
1gtnC-5dqpA:
undetectable		 1gtnB-5dqpA:
13.17
1gtnC-5dqpA:
13.17
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) 		5 ALA A  46
GLY A  23
HIS A  34
THR A  49
THR A  52
 None
 1.07A 1gtnB-5eexA:
15.6
1gtnC-5eexA:
15.6		 1gtnB-5eexA:
100.00
1gtnC-5eexA:
100.00
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) 		6 GLY A  23
HIS A  34
ALA A  46
THR A  49
THR A  52
ILE A  55
 None
 0.10A 1gtnB-5eexA:
15.6
1gtnC-5eexA:
15.6		 1gtnB-5eexA:
100.00
1gtnC-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.
5eso 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Mycobacterium
tuberculosis) 		PF02776
(TPP_enzyme_N) 		5 THR A 250
ALA A 376
HIS A 232
ALA A 402
THR A 279
 None
 0.97A 1gtnB-5esoA:
undetectable
1gtnC-5esoA:
undetectable		 1gtnB-5esoA:
7.88
1gtnC-5esoA:
7.88
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.
5fac ALANINE RACEMASE

(Streptomyces
coelicolor) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ARG A 328
SER A 311
ALA A 310
GLY A 305
ALA A 369
 None
 1.08A 1gtnB-5facA:
undetectable
1gtnC-5facA:
undetectable		 1gtnB-5facA:
10.98
1gtnC-5facA:
10.98
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.
5hpn PERMUTED PDUA

(synthetic
construct) 		PF00936
(BMC) 		5 SER A  48
ALA A  49
GLY A  28
ALA A  74
THR A  79
 None
 1.15A 1gtnB-5hpnA:
undetectable
1gtnC-5hpnA:
undetectable		 1gtnB-5hpnA:
23.16
1gtnC-5hpnA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j84 DIHYDROXY-ACID
DEHYDRATASE

(Rhizobium
leguminosarum) 		PF00920
(ILVD_EDD) 		5 THR A 377
SER A 315
ALA A 400
GLY A 381
ILE A 382
 None
 1.13A 1gtnB-5j84A:
undetectable
1gtnC-5j84A:
undetectable		 1gtnB-5j84A:
8.03
1gtnC-5j84A:
8.03
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.
5ks1 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Vibrio
vulnificus) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 THR A 283
ALA A 123
ALA A 100
THR A  17
ILE A   6
 None
 1.18A 1gtnB-5ks1A:
undetectable
1gtnC-5ks1A:
undetectable		 1gtnB-5ks1A:
9.95
1gtnC-5ks1A:
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.
5l3d LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1A

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM) 		5 ALA A 292
GLY A 285
ALA A 293
THR A 624
ILE A 283
 None
FAD  A 901 (-3.3A)
None
None
None
 1.10A 1gtnB-5l3dA:
undetectable
1gtnC-5l3dA:
undetectable		 1gtnB-5l3dA:
6.27
1gtnC-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 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 1gtnB-5l3dA:
undetectable
1gtnC-5l3dA:
undetectable		 1gtnB-5l3dA:
6.27
1gtnC-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.
5l3s SIGNAL RECOGNITION
PARTICLE 54 KDA
PROTEIN
SIGNAL RECOGNITION
PARTICLE RECEPTOR
FTSY

(Sulfolobus
solfataricus;
Sulfolobus
acidocaldarius) 		PF00448
(SRP54)
PF02881
(SRP54_N)
PF00448
(SRP54)
PF02881
(SRP54_N) 		5 ARG A 136
ALA B 215
GLY A 147
ALA B 214
THR A 110
 GNP  B 401 (-3.2A)
None
None
GOL  A 306 (-4.1A)
MG  A 302 ( 3.1A)
 1.22A 1gtnB-5l3sA:
undetectable
1gtnC-5l3sA:
undetectable		 1gtnB-5l3sA:
17.33
1gtnC-5l3sA:
17.33
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.
5o1m RUBBER OXYGENASE

(Streptomyces
sp. K30) 		PF09995
(DUF2236) 		5 SER A 186
GLY A 172
ALA A 180
THR A 190
ILE A 175
 None
 1.16A 1gtnB-5o1mA:
undetectable
1gtnC-5o1mA:
undetectable		 1gtnB-5o1mA:
12.64
1gtnC-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.
5sy4 CHAPERONE YAJL

(Escherichia
coli) 		PF01965
(DJ-1_PfpI) 		5 ALA A 104
GLY A 165
ALA A 103
THR A  21
ILE A 168
 None
 0.98A 1gtnB-5sy4A:
undetectable
1gtnC-5sy4A:
undetectable		 1gtnB-5sy4A:
17.62
1gtnC-5sy4A:
17.62
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.
5ux5 BIFUNCTIONAL PROTEIN
PROLINE UTILIZATION
A (PUTA)

(Corynebacterium
freiburgense) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		6 SER A 724
ALA A 725
GLY A 874
ALA A 726
THR A 846
ILE A 696
 SO4  A2003 (-2.4A)
None
None
None
None
None
 1.24A 1gtnB-5ux5A:
undetectable
1gtnC-5ux5A:
undetectable		 1gtnB-5ux5A:
5.76
1gtnC-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
 1.21A 1gtnB-5w1jA:
undetectable
1gtnC-5w1jA:
undetectable		 1gtnB-5w1jA:
8.72
1gtnC-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.
5ygr DIAMINOPROPIONATE
AMMONIA LYASE

(Salmonella
enterica) 		no annotation 5 GLY A 126
ALA A 133
THR A 122
THR A 124
ILE A 159
 PO4  A 504 (-4.5A)
None
None
PO4  A 504 (-3.6A)
None
 1.02A 1gtnB-5ygrA:
undetectable
1gtnC-5ygrA:
undetectable		 1gtnB-5ygrA:
undetectable
1gtnC-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.
6c7v -

(-) 		no annotation 5 ARG A   5
ALA A 221
GLY A 217
ALA A 200
ILE A 187
 None
 1.03A 1gtnB-6c7vA:
undetectable
1gtnC-6c7vA:
undetectable		 1gtnB-6c7vA:
undetectable
1gtnC-6c7vA:
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
 1.22A 1gtnB-6fuyA:
undetectable
1gtnC-6fuyA:
undetectable		 1gtnB-6fuyA:
undetectable
1gtnC-6fuyA:
undetectable