SIMILAR PATTERNS OF AMINO ACIDS FOR 2G72_B_SAMB2002

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.
1dnv GALLERIA MELLONELLA
DENSOVIRUS CAPSID
PROTEIN

(Lepidopteran
ambidensovirus
1) 		PF02336
(Denso_VP4) 		5 THR A  71
PHE A  45
ILE A 380
VAL A 106
ALA A 136
 None
 0.95A 2g72B-1dnvA:
undetectable		 2g72B-1dnvA:
19.60
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.
1eh5 PALMITOYL PROTEIN
THIOESTERASE 1

(Bos taurus) 		PF02089
(Palm_thioest) 		5 TYR A 185
PHE A 201
LEU A 202
ILE A 200
VAL A 181
 None
 1.28A 2g72B-1eh5A:
undetectable		 2g72B-1eh5A:
22.36
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.
1eu8 TREHALOSE/MALTOSE
BINDING PROTEIN

(Thermococcus
litoralis) 		PF01547
(SBP_bac_1) 		5 GLN A  42
PHE A  28
ILE A  25
VAL A  24
VAL A 316
 None
 1.20A 2g72B-1eu8A:
undetectable		 2g72B-1eu8A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ii8 RAD50 ABC-ATPASE
RAD50 ABC-ATPASE

(Pyrococcus
furiosus;
Pyrococcus
furiosus) 		PF13476
(AAA_23)
PF13304
(AAA_21) 		5 GLN A 142
LEU A 163
ILE B 748
VAL B 769
VAL B 776
 None
 1.31A 2g72B-1ii8A:
undetectable		 2g72B-1ii8A:
22.03
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.
1k25 LOW-AFFINITY
PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 TYR A 586
LEU A 462
ILE A 468
VAL A 341
TYR A 333
 None
 1.19A 2g72B-1k25A:
undetectable		 2g72B-1k25A:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kqo NICOTINAMIDE
MONONUCLEOTIDE
ADENYLYL TRANSFERASE

(Homo sapiens) 		PF01467
(CTP_transf_like) 		5 ILE A 177
VAL A 178
HIS A 206
ALA A 164
VAL A 202
 None
 1.25A 2g72B-1kqoA:
2.3		 2g72B-1kqoA:
23.81
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.
1l4i SFAE PROTEIN

(Escherichia
coli) 		PF00345
(PapD_N)
PF02753
(PapD_C) 		5 PHE A  48
ILE A  50
VAL A  85
ALA A  21
VAL A   9
 None
 1.16A 2g72B-1l4iA:
undetectable		 2g72B-1l4iA:
22.11
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.
1l9g CONSERVED
HYPOTHETICAL PROTEIN

(Thermotoga
maritima) 		PF03167
(UDG) 		5 LEU A 110
ILE A 116
VAL A  42
CYH A  84
VAL A  44
 None
 1.15A 2g72B-1l9gA:
undetectable		 2g72B-1l9gA:
20.61
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.
1lpf DIHYDROLIPOAMIDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 THR A 383
GLN A 222
LEU A 426
ILE A 362
HIS A 359
 None
 1.20A 2g72B-1lpfA:
undetectable		 2g72B-1lpfA:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ms8 TRANS-SIALIDASE

(Trypanosoma
cruzi) 		PF13385
(Laminin_G_3)
PF13859
(BNR_3) 		5 THR A  65
VAL A  42
ALA A  38
VAL A 101
TYR A 192
 None
 1.32A 2g72B-1ms8A:
undetectable		 2g72B-1ms8A:
18.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n7j PHENYLETHANOLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		12 TYR A  27
THR A  83
GLN A  86
PHE A 102
LEU A 103
ILE A 157
VAL A 159
HIS A 160
ALA A 181
CYH A 183
VAL A 187
TYR A 222
 SAH  A2002 (-3.6A)
SAH  A2002 (-2.9A)
SAH  A2002 ( 4.2A)
SAH  A2002 (-4.4A)
SAH  A2002 (-3.9A)
SAH  A2002 (-4.7A)
SAH  A2002 (-3.5A)
SAH  A2002 (-4.1A)
SAH  A2002 (-3.3A)
SAH  A2002 (-3.4A)
SAH  A2002 (-4.3A)
IDI  A3003 (-3.8A)
 0.41A 2g72B-1n7jA:
46.0		 2g72B-1n7jA:
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.
1nmo HYPOTHETICAL PROTEIN
YBGI

(Escherichia
coli) 		PF01784
(NIF3) 		5 TYR A  66
LEU A  83
ILE A  91
VAL A  60
ALA A  47
 None
 1.10A 2g72B-1nmoA:
undetectable		 2g72B-1nmoA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1no7 MAJOR CAPSID PROTEIN

(Human
alphaherpesvirus
1) 		PF03122
(Herpes_MCP) 		5 GLN A 943
LEU A 630
ILE A 937
VAL A 830
VAL A 835
 None
 1.09A 2g72B-1no7A:
undetectable		 2g72B-1no7A:
18.99
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.
1o9j ALDEHYDE
DEHYDROGENASE,
CYTOSOLIC 1

(Elephantulus
edwardii) 		PF00171
(Aldedh) 		5 LEU A 202
ILE A 208
VAL A 218
ALA A 176
VAL A 191
 None
 0.84A 2g72B-1o9jA:
undetectable		 2g72B-1o9jA:
20.31
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.
1sb8 WBPP

(Pseudomonas
aeruginosa) 		PF01370
(Epimerase) 		5 THR A 269
GLN A 273
ILE A 226
VAL A 224
ALA A 277
 None
None
UD2  A 343 (-4.7A)
None
None
 0.98A 2g72B-1sb8A:
5.5		 2g72B-1sb8A:
23.47
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.
1sq5 PANTOTHENATE KINASE

(Escherichia
coli) 		PF00485
(PRK) 		5 GLN A1109
ILE A1090
VAL A1223
ALA A1105
VAL A1203
 None
 1.31A 2g72B-1sq5A:
undetectable		 2g72B-1sq5A:
24.38
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.
1uf2 CORE PROTEIN P3

(Rice dwarf
virus) 		PF09231
(RDV-p3) 		5 GLN A 426
LEU A 419
ILE A 438
VAL A 437
ALA A 427
 None
 1.32A 2g72B-1uf2A:
undetectable		 2g72B-1uf2A:
14.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vr0 PROBABLE
2-PHOSPHOSULFOLACTAT
E PHOSPHATASE

(Clostridium
acetobutylicum) 		PF04029
(2-ph_phosp) 		5 THR A  31
LEU A 119
VAL A  17
ALA A 145
VAL A 141
 None
None
None
MG  A 400 ( 4.2A)
None
 1.17A 2g72B-1vr0A:
undetectable		 2g72B-1vr0A:
20.47
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.
1xx6 THYMIDINE KINASE

(Clostridium
acetobutylicum) 		PF00265
(TK) 		5 ILE A  97
VAL A 101
ALA A 114
CYH A 113
VAL A  10
 None
 1.25A 2g72B-1xx6A:
undetectable		 2g72B-1xx6A:
18.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		7 TYR A  11
THR A  67
GLN A  70
PHE A  86
VAL A 143
HIS A 144
TYR A 204
 SAH  A4001 ( 3.8A)
SAH  A4001 (-3.5A)
SAH  A4001 ( 4.4A)
SAH  A4001 (-4.6A)
SAH  A4001 (-3.7A)
SAH  A4001 (-4.3A)
None
 0.47A 2g72B-2a14A:
36.8		 2g72B-2a14A:
35.56
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.
2a87 THIOREDOXIN
REDUCTASE

(Mycobacterium
tuberculosis) 		PF07992
(Pyr_redox_2) 		5 THR A 238
ILE A 161
VAL A 246
ALA A 216
VAL A 142
 None
 1.12A 2g72B-2a87A:
undetectable		 2g72B-2a87A:
22.79
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.
2c4n PROTEIN NAGD

(Escherichia
coli) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 THR A 196
ILE A 247
VAL A 244
CYH A   8
VAL A  13
 None
 1.31A 2g72B-2c4nA:
undetectable		 2g72B-2c4nA:
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.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 ILE A 208
VAL A 201
HIS A 259
ALA A 222
VAL A 261
 None
 1.30A 2g72B-2d5lA:
undetectable		 2g72B-2d5lA:
18.56
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.
2fge ZINC METALLOPROTEASE
(INSULINASE FAMILY)

(Arabidopsis
thaliana) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
PF08367
(M16C_assoc) 		5 PHE A 581
LEU A 753
ILE A 583
CYH A 598
VAL A 627
 None
 1.21A 2g72B-2fgeA:
undetectable		 2g72B-2fgeA:
14.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g18 PHYCOCYANOBILIN:FERR
EDOXIN
OXIDOREDUCTASE

(Anabaena sp.) 		PF05996
(Fe_bilin_red) 		5 THR A  64
GLN A  66
ILE A 202
VAL A 120
ALA A 188
 None
 1.29A 2g72B-2g18A:
undetectable		 2g72B-2g18A:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2haw MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Bacillus
subtilis) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 LEU A 109
ILE A  95
VAL A  74
HIS A  76
ALA A  34
 None
 1.24A 2g72B-2hawA:
undetectable		 2g72B-2hawA:
21.56
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.
2hpi DNA POLYMERASE III
ALPHA SUBUNIT

(Thermus
aquaticus) 		PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ILE A 492
VAL A 580
ALA A 611
VAL A 590
TYR A 106
 None
 1.26A 2g72B-2hpiA:
undetectable		 2g72B-2hpiA:
13.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		6 TYR A  12
THR A  68
GLN A  71
VAL A 144
CYH A 166
TYR A 205
 SAH  A4001 (-3.8A)
SAH  A4001 (-3.6A)
SAH  A4001 ( 4.3A)
SAH  A4001 (-3.6A)
SAH  A4001 ( 3.8A)
None
 0.40A 2g72B-2i62A:
37.0		 2g72B-2i62A:
37.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		6 TYR A  11
THR A  67
GLN A  70
VAL A 143
CYH A 165
TYR A 204
 SAH  A4001 (-3.7A)
SAH  A4001 (-3.5A)
SAH  A4001 (-4.1A)
SAH  A4001 (-3.7A)
SAH  A4001 ( 3.8A)
None
 0.52A 2g72B-2iipA:
36.7		 2g72B-2iipA:
36.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j0r HEMIN TRANSPORT
PROTEIN HEMS

(Yersinia
enterocolitica) 		PF05171
(HemS) 		5 THR A  36
LEU A 136
ILE A  67
VAL A  74
ALA A  21
 None
None
None
None
EDO  A1344 (-3.9A)
 1.18A 2g72B-2j0rA:
undetectable		 2g72B-2j0rA:
21.11
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.
2pqf POLY [ADP-RIBOSE]
POLYMERASE 12

(Homo sapiens) 		PF00644
(PARP) 		5 TYR A 670
VAL A 674
ALA A 573
CYH A 575
VAL A 532
 None
None
CIT  A 801 ( 4.4A)
None
None
 1.20A 2g72B-2pqfA:
undetectable		 2g72B-2pqfA:
21.02
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.
2qjg PUTATIVE ALDOLASE
MJ0400

(Methanocaldococcus
jannaschii) 		PF01791
(DeoC) 		5 THR A 213
ILE A 256
VAL A 257
HIS A 258
VAL A  28
 None
 1.28A 2g72B-2qjgA:
undetectable		 2g72B-2qjgA:
20.65
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.
2r6r CELL DIVISION
PROTEIN FTSZ

(Aquifex
aeolicus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 THR 1  92
LEU 1  36
ILE 1  39
VAL 1  15
ALA 1 117
 None
 1.33A 2g72B-2r6r1:
undetectable		 2g72B-2r6r1:
25.00
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.
2xsg CCMAN5

(Cellulosimicrobium
cellulans) 		PF07971
(Glyco_hydro_92) 		5 TYR A  54
THR A  50
ILE A  59
VAL A 115
ALA A  29
 None
 1.28A 2g72B-2xsgA:
undetectable		 2g72B-2xsgA:
16.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a8k AMINOMETHYLTRANSFERA
SE

(Escherichia
coli) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		5 THR A 189
GLN A 147
ILE A  99
VAL A 111
ALA A 145
 None
 1.24A 2g72B-3a8kA:
undetectable		 2g72B-3a8kA:
23.12
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.
3agf GLUTAMINASE 1

(Bacillus
subtilis) 		PF04960
(Glutaminase) 		5 GLN A 204
LEU A 246
ILE A  82
ALA A 133
VAL A  93
 None
 1.03A 2g72B-3agfA:
undetectable		 2g72B-3agfA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aw9 NAD-DEPENDENT
EPIMERASE/DEHYDRATAS
E

(Pyrobaculum
calidifontis) 		PF01370
(Epimerase) 		5 ILE A   3
VAL A  61
ALA A 211
VAL A 105
TYR A 160
 None
 1.21A 2g72B-3aw9A:
5.2		 2g72B-3aw9A:
24.36
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.
3bn6 LACTADHERIN

(Bos taurus) 		PF00754
(F5_F8_type_C) 		5 TYR A  90
LEU A 151
ILE A  62
VAL A 138
VAL A  92
 None
 1.16A 2g72B-3bn6A:
undetectable		 2g72B-3bn6A:
16.72
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.
3bwh CUCURMOSIN

(Cucurbita
moschata) 		PF00161
(RIP) 		5 PHE A  47
LEU A  93
ILE A  48
VAL A  66
VAL A  41
 None
 1.20A 2g72B-3bwhA:
undetectable		 2g72B-3bwhA:
20.79
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.
3ck1 PUTATIVE
THIOESTERASE

(Cupriavidus
pinatubonensis) 		PF13279
(4HBT_2) 		5 GLN A  88
LEU A  43
HIS A  51
CYH A 114
VAL A  58
 None
None
GOL  A 155 (-3.8A)
None
GOL  A 155 ( 4.1A)
 1.27A 2g72B-3ck1A:
undetectable		 2g72B-3ck1A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ctk RRNA N-GLYCOSIDASE

(Bougainvillea
spectabilis) 		PF00161
(RIP) 		5 LEU A  49
ILE A  52
VAL A 159
ALA A 167
VAL A  71
 None
 1.28A 2g72B-3ctkA:
undetectable		 2g72B-3ctkA:
21.54
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.
3epd PROTEIN VP1
PROTEIN VP2

(Enterovirus C;
Enterovirus C) 		PF00073
(Rhv)
PF00073
(Rhv) 		5 ILE 2 127
ALA 2 133
CYH 2 182
VAL 2 184
TYR 1 280
 None
 1.12A 2g72B-3epd2:
undetectable		 2g72B-3epd2:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3faw RETICULOCYTE BINDING
PROTEIN

(Streptococcus
agalactiae) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 THR A 955
ILE A1067
VAL A1107
ALA A1153
VAL A1081
 None
 1.30A 2g72B-3fawA:
undetectable		 2g72B-3fawA:
15.91
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.
3fbg PUTATIVE ARGINATE
LYASE

(Staphylococcus
haemolyticus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A 277
HIS A 241
ALA A 271
VAL A 137
TYR A 286
 None
 1.31A 2g72B-3fbgA:
5.3		 2g72B-3fbgA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ivr PUTATIVE
LONG-CHAIN-FATTY-ACI
D COA LIGASE

(Rhodopseudomonas
palustris) 		PF00501
(AMP-binding) 		5 LEU A  84
ILE A  80
VAL A  54
ALA A 148
VAL A 107
 None
 1.20A 2g72B-3ivrA:
1.4		 2g72B-3ivrA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k5z FEM-3 MRNA-BINDING
FACTOR 2

(Caenorhabditis
elegans) 		PF00806
(PUF) 		5 THR A 278
VAL A 347
ALA A 317
CYH A 319
VAL A 365
 None
 1.16A 2g72B-3k5zA:
undetectable		 2g72B-3k5zA:
20.44
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.
3kfl METHIONYL-TRNA
SYNTHETASE

(Leishmania
major) 		PF09334
(tRNA-synt_1g) 		5 GLN A 682
PHE A 711
LEU A 613
ILE A 713
VAL A 714
 None
 1.30A 2g72B-3kflA:
2.2		 2g72B-3kflA:
18.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l76 ASPARTOKINASE

(Synechocystis
sp. PCC 6803) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		5 LEU A 193
ILE A 197
VAL A 242
ALA A 210
VAL A 230
 None
 1.04A 2g72B-3l76A:
undetectable		 2g72B-3l76A:
18.68
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.
3mi6 ALPHA-GALACTOSIDASE

(Lactobacillus
brevis) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		5 THR A 551
LEU A 602
ILE A 334
ALA A 578
VAL A 619
 None
 1.17A 2g72B-3mi6A:
undetectable		 2g72B-3mi6A:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oit OS07G0271500 PROTEIN

(Oryza sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 THR A 389
GLN A 253
ALA A 179
CYH A 178
VAL A 355
 None
 1.33A 2g72B-3oitA:
undetectable		 2g72B-3oitA:
24.38
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.
3pzr ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Vibrio cholerae) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 THR A 135
GLN A 276
VAL A 152
ALA A 157
VAL A 259
 None
 1.00A 2g72B-3pzrA:
2.7		 2g72B-3pzrA:
20.10
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.
3qo6 PROTEASE DO-LIKE 1,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 THR A 374
LEU A 420
ILE A 388
VAL A 396
ALA A 342
 None
 1.26A 2g72B-3qo6A:
undetectable		 2g72B-3qo6A:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r0v ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Sphaerobacter
thermophilus) 		PF12697
(Abhydrolase_6) 		5 LEU A 100
ILE A 108
VAL A  88
ALA A  77
VAL A  26
 None
 1.07A 2g72B-3r0vA:
2.7		 2g72B-3r0vA:
23.15
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.
3s2u UDP-N-ACETYLGLUCOSAM
INE--N-ACETYLMURAMYL
-(PENTAPEPTIDE)
PYROPHOSPHORYL-UNDEC
APRENOL
N-ACETYLGLUCOSAMINE
TRANSFERASE

(Pseudomonas
aeruginosa) 		PF03033
(Glyco_transf_28)
PF04101
(Glyco_tran_28_C) 		5 ILE A   7
HIS A 121
ALA A 355
CYH A 351
VAL A 347
 None
 1.31A 2g72B-3s2uA:
2.5		 2g72B-3s2uA:
26.40
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.
3tl2 MALATE DEHYDROGENASE

(Bacillus
anthracis) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLN A 249
LEU A  23
VAL A   8
ALA A 244
VAL A  80
 None
 1.28A 2g72B-3tl2A:
3.8		 2g72B-3tl2A:
24.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tt9 PLAKOPHILIN-2

(Homo sapiens) 		PF00514
(Arm) 		5 GLN A 378
LEU A 452
ILE A 458
VAL A 445
ALA A 414
 None
 1.07A 2g72B-3tt9A:
undetectable		 2g72B-3tt9A:
22.33
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.
3uw3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Burkholderia
thailandensis) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 THR A 135
GLN A 280
VAL A 152
ALA A 157
VAL A 263
 None
 1.02A 2g72B-3uw3A:
undetectable		 2g72B-3uw3A:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w01 HEPTAPRENYLGLYCERYL
PHOSPHATE SYNTHASE

(Staphylococcus
aureus) 		PF01884
(PcrB) 		5 PHE A 115
LEU A 155
ILE A 114
VAL A 113
ALA A  -2
 None
 1.30A 2g72B-3w01A:
undetectable		 2g72B-3w01A:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w04 DWARF 88 ESTERASE

(Oryza sativa) 		PF12697
(Abhydrolase_6) 		5 LEU A 163
ILE A 158
ALA A 150
VAL A 126
TYR A 101
 None
 1.09A 2g72B-3w04A:
undetectable		 2g72B-3w04A:
21.36
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.
3wn6 ALPHA-AMYLASE

(Oryza sativa) 		PF00128
(Alpha-amylase)
PF07821
(Alpha-amyl_C2) 		5 ILE A 336
VAL A 310
HIS A 349
ALA A 280
VAL A 329
 None
 1.32A 2g72B-3wn6A:
undetectable		 2g72B-3wn6A:
22.71
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.
3wsu BETA-MANNANASE

(Streptomyces
thermolilacinus) 		PF00150
(Cellulase) 		5 LEU A 164
VAL A 101
HIS A  78
CYH A 124
VAL A 120
 None
 1.32A 2g72B-3wsuA:
undetectable		 2g72B-3wsuA:
26.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ags THIOL-DEPENDENT
REDUCTASE 1

(Leishmania
infantum) 		PF13417
(GST_N_3)
PF16865
(GST_C_5) 		5 ILE A  22
VAL A 201
ALA A  12
VAL A 167
TYR A 215
 None
 1.28A 2g72B-4agsA:
undetectable		 2g72B-4agsA:
20.91
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.
4cby HISTONE DEACETYLASE
4

(Homo sapiens) 		PF00850
(Hist_deacetyl) 		5 THR A 713
GLN A 827
ILE A 834
VAL A 926
VAL A 782
 None
 0.96A 2g72B-4cbyA:
undetectable		 2g72B-4cbyA:
22.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4da9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 THR A 121
PHE A 187
VAL A 230
ALA A  92
VAL A 189
 None
 1.21A 2g72B-4da9A:
5.9		 2g72B-4da9A:
23.53
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.
4hds ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 GLN B 157
LEU B   2
ILE B   9
VAL B 267
ALA B 156
 None
 1.31A 2g72B-4hdsB:
undetectable		 2g72B-4hdsB:
24.73
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.
4le6 ORGANOPHOSPHORUS
HYDROLASE

(Pseudomonas
pseudoalcaligenes) 		PF00753
(Lactamase_B) 		5 THR A 138
LEU A 234
ILE A  94
VAL A  47
ALA A 293
 None
 1.30A 2g72B-4le6A:
undetectable		 2g72B-4le6A:
23.32
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.
4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA

(Escherichia
coli;
Staphylococcus
aureus) 		PF13416
(SBP_bac_8) 		5 TYR A 387
THR A 461
LEU A 429
ALA A 438
TYR A 391
 None
 1.11A 2g72B-4pqkA:
undetectable		 2g72B-4pqkA:
19.84
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.
4q4y COXSACKIEVIRUS
CAPSID PROTEIN VP1
COXSACKIEVIRUS
CAPSID PROTEIN VP2

(Enterovirus C;
Enterovirus C) 		PF00073
(Rhv)
PF00073
(Rhv) 		5 ILE 2 127
ALA 2 133
CYH 2 182
VAL 2 184
TYR 1 281
 None
 1.13A 2g72B-4q4y2:
undetectable		 2g72B-4q4y2:
23.27
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.
4qfb CT263

(Chlamydia
trachomatis) 		no annotation 5 THR A  85
LEU A 114
VAL A  91
ALA A  70
VAL A 106
 None
 1.14A 2g72B-4qfbA:
undetectable		 2g72B-4qfbA:
20.07
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.
4r1d UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		no annotation 5 LEU A  49
VAL A 277
HIS A 424
ALA A 207
VAL A 274
 None
 1.25A 2g72B-4r1dA:
undetectable		 2g72B-4r1dA:
22.32
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.
4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Pisum sativum) 		PF00223
(PsaA_PsaB) 		6 THR A 480
GLN A 644
PHE A 539
LEU A 484
VAL A 541
HIS A 542
 None
None
CLA  A1136 (-4.7A)
None
None
CLA  A1136 ( 3.3A)
 1.48A 2g72B-4rkuA:
undetectable		 2g72B-4rkuA:
16.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rpa PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Staphylococcus
aureus) 		PF01368
(DHH)
PF02833
(DHHA2) 		5 LEU A 109
ILE A  95
VAL A  74
HIS A  76
ALA A  35
 OCS  A 110 ( 3.6A)
None
None
None
None
 1.12A 2g72B-4rpaA:
undetectable		 2g72B-4rpaA:
23.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tmc OLD YELLOW ENZYME

(Kluyveromyces
marxianus) 		PF00724
(Oxidored_FMN) 		5 THR A 383
ILE A  68
VAL A 111
HIS A 105
ALA A  53
 None
 1.31A 2g72B-4tmcA:
undetectable		 2g72B-4tmcA:
21.22
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.
4umz CYTOCHROME P450
HYDROXYLASE PIKC

(Streptomyces
venezuelae) 		PF00067
(p450) 		5 LEU A 130
ILE A 252
VAL A 249
HIS A 245
ALA A 400
 None
 1.15A 2g72B-4umzA:
undetectable		 2g72B-4umzA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xea PEPTIDASE M16 DOMAIN
PROTEIN

(Alicyclobacillus
acidocaldarius) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 TYR A 383
PHE A 393
ILE A 397
VAL A 366
ALA A 280
 None
 1.20A 2g72B-4xeaA:
undetectable		 2g72B-4xeaA:
21.91
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.
4yac C
ALPHA-DEHYDROGENASE

(Sphingobium sp.
SYK-6) 		PF00106
(adh_short) 		5 TYR A  71
GLN A  22
LEU A  63
VAL A  85
VAL A 126
 None
 1.24A 2g72B-4yacA:
undetectable		 2g72B-4yacA:
21.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yly PEPTIDYL-TRNA
HYDROLASE

(Staphylococcus
aureus) 		PF01195
(Pept_tRNA_hydro) 		5 LEU A  37
ILE A  75
VAL A  72
CYH A   3
VAL A   5
 None
 1.23A 2g72B-4ylyA:
undetectable		 2g72B-4ylyA:
21.27
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.
4ypv EST8

(Parvibaculum) 		PF07859
(Abhydrolase_3) 		5 GLN A 289
LEU A 306
ALA A  99
CYH A 101
VAL A 112
 None
 1.30A 2g72B-4ypvA:
2.6		 2g72B-4ypvA:
24.17
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.
4yzf BAND 3 ANION
TRANSPORT PROTEIN

(Homo sapiens) 		PF00955
(HCO3_cotransp) 		5 THR A 581
PHE A 622
LEU A 619
ILE A 624
ALA A 786
 None
 1.23A 2g72B-4yzfA:
undetectable		 2g72B-4yzfA:
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.
5bx1 PROTEIN TYROSINE
PHOSPHATASE TYPE IVA
1

(Homo sapiens) 		PF00782
(DSPc) 		5 LEU A  87
ILE A  80
VAL A  48
ALA A 116
VAL A 102
 None
 1.07A 2g72B-5bx1A:
undetectable		 2g72B-5bx1A:
20.22
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.
5cbm M17 FAMILY
AMINOPEPTIDASE

(Plasmodium
falciparum) 		PF00883
(Peptidase_M17) 		5 ILE A 369
ALA A 405
CYH A 409
VAL A 413
TYR A 287
 None
 1.23A 2g72B-5cbmA:
undetectable		 2g72B-5cbmA:
17.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d79 BERBERINE BRIDGE
ENZYME-LIKE PROTEIN

(Arabidopsis
thaliana) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 THR A 164
ILE A 136
VAL A 147
ALA A 168
VAL A 244
 None
 1.28A 2g72B-5d79A:
undetectable		 2g72B-5d79A:
19.29
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.
5g4l OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY PROTEIN

(Clostridium sp.) 		PF13561
(adh_short_C2) 		5 VAL A 100
HIS A 102
ALA A 137
CYH A 133
VAL A 129
 None
NDP  A1265 (-4.9A)
None
None
None
 1.23A 2g72B-5g4lA:
6.6		 2g72B-5g4lA:
21.28
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.
5gll GLYCOSIDE HYDROLASE
FAMILY 43

(uncultured
bacterium) 		PF04616
(Glyco_hydro_43) 		5 TYR A  93
PHE A 140
LEU A 138
ILE A 151
ALA A 269
 None
None
None
None
CA  A 401 ( 4.9A)
 1.19A 2g72B-5gllA:
undetectable		 2g72B-5gllA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hvm ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Aspergillus
fumigatus) 		PF00982
(Glyco_transf_20) 		5 TYR A 373
ILE A 380
VAL A 381
ALA A 321
VAL A 391
 None
None
None
None
UDP  A 601 (-4.0A)
 1.06A 2g72B-5hvmA:
undetectable		 2g72B-5hvmA:
20.81
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.
5jrj PROTEIN RECA

(Herbaspirillum
seropedicae) 		PF00154
(RecA) 		5 ILE A 189
VAL A 196
ALA A 138
CYH A 136
VAL A 150
 None
 1.30A 2g72B-5jrjA:
undetectable		 2g72B-5jrjA:
19.78
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.
5k1u NAD(P)H:FLAVIN
OXIDOREDUCTASE SYE4

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 TYR A  52
GLN A 108
ILE A 105
VAL A  94
ALA A  66
 None
FMN  A 400 (-3.0A)
None
None
TNF  A 401 ( 2.9A)
 1.25A 2g72B-5k1uA:
undetectable		 2g72B-5k1uA:
20.60
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.
5k22 PROTEIN TYROSINE
PHOSPHATASE TYPE IVA
2

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 LEU A  84
ILE A  77
VAL A  45
ALA A 113
VAL A  99
 None
 1.23A 2g72B-5k22A:
undetectable		 2g72B-5k22A:
21.62
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.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT BETA

(Methanothermococcus
thermolithotrophicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 TYR B 334
LEU B 310
ILE B 315
VAL B 316
VAL B 267
 None
 1.27A 2g72B-5n1qB:
undetectable		 2g72B-5n1qB:
22.56
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.
5n28 METHYL-COENZYME M
REDUCTASE, BETA
SUBUNIT

(Methanotorris
formicicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		5 TYR B 335
LEU B 311
ILE B 316
VAL B 317
VAL B 268
 None
 1.30A 2g72B-5n28B:
undetectable		 2g72B-5n28B:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nmw FLAVIN-CONTAINING
MONOOXYGENASE

(Zonocerus
variegatus) 		no annotation 5 PHE A 298
LEU A 284
ILE A 299
VAL A 146
ALA A 320
 None
 1.16A 2g72B-5nmwA:
undetectable		 2g72B-5nmwA:
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.
5u47 PENICILLIN BINDING
PROTEIN 2X

(Streptococcus
thermophilus) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF03793
(PASTA) 		5 TYR A 592
LEU A 468
ILE A 474
VAL A 347
TYR A 339
 None
 1.33A 2g72B-5u47A:
undetectable		 2g72B-5u47A:
17.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u6s UDP-GLYCOSYLTRANSFER
ASE 74F2

(Arabidopsis
thaliana) 		PF00201
(UDPGT) 		5 PHE A 196
LEU A 220
VAL A 127
ALA A  10
VAL A 446
 None
 1.23A 2g72B-5u6sA:
undetectable		 2g72B-5u6sA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uju NAD-DEPENDENT
ALDEHYDE
DEHYDROGENASE

(Burkholderia
multivorans) 		PF00171
(Aldedh) 		5 THR A 199
GLN A 100
PHE A 218
LEU A 217
VAL A 114
 None
 1.06A 2g72B-5ujuA:
2.7		 2g72B-5ujuA:
18.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5woq TRANSCRIPTIONAL
REGULATOR CLGR

(Mycolicibacterium
smegmatis) 		PF13560
(HTH_31) 		5 ILE A   9
VAL A  67
ALA A  55
CYH A  57
VAL A  62
 None
 1.18A 2g72B-5woqA:
undetectable		 2g72B-5woqA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zb3 -

(-) 		no annotation 5 LEU A 376
VAL A 351
ALA A 315
CYH A 319
VAL A 323
 None
 1.28A 2g72B-5zb3A:
undetectable		 2g72B-5zb3A:
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 5 GLN A 381
PHE A  83
LEU A  27
VAL A  80
ALA A 106
 None
 1.28A 2g72B-6c93A:
undetectable		 2g72B-6c93A:
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.
6cn7 AEROBACTIN SYNTHASE
IUCC

(Klebsiella
pneumoniae) 		no annotation 5 GLN A 436
PHE A 401
LEU A 397
HIS A 484
ALA A 429
 None
 1.24A 2g72B-6cn7A:
undetectable		 2g72B-6cn7A:
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.
6fa5 PUTATIVE MRNA
SPLICING FACTOR

(Chaetomium
thermophilum) 		no annotation 5 TYR A 333
PHE A 306
LEU A 307
VAL A 470
VAL A 299
 None
 1.16A 2g72B-6fa5A:
3.8		 2g72B-6fa5A:
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.
6fos PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

(Cyanidioschyzon
merolae) 		no annotation 5 GLN A 634
PHE A 529
VAL A 531
HIS A 532
ALA A 633
 None
None
None
CLA  A1135 (-4.3A)
None
 1.23A 2g72B-6fosA:
undetectable		 2g72B-6fosA:
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.
1c4k PROTEIN (ORNITHINE
DECARBOXYLASE)

(Lactobacillus
sp. 30A) 		PF01276
(OKR_DC_1)
PF03709
(OKR_DC_1_N)
PF03711
(OKR_DC_1_C) 		4 GLY A 485
TYR A 490
ASP A 256
ASP A 260
 None
 0.93A 2g72B-1c4kA:
undetectable		 2g72B-1c4kA:
16.96
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.
1cem CELLULASE CELA
(1,4-BETA-D-GLUCAN-G
LUCANOHYDROLASE)

(Ruminiclostridium
thermocellum) 		PF01270
(Glyco_hydro_8) 		4 GLY A 370
TYR A  90
ASN A 374
ASP A 319
 None
 1.07A 2g72B-1cemA:
undetectable		 2g72B-1cemA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dqz PROTEIN (ANTIGEN
85-C)

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		4 TYR A 172
TYR A  93
ASP A  38
ASP A  50
 None
 1.03A 2g72B-1dqzA:
undetectable		 2g72B-1dqzA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6y METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA
METHYL-COENZYME M
REDUCTASE SUBUNIT
GAMMA

(Methanosarcina
barkeri;
Methanosarcina
barkeri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N)
PF02240
(MCR_gamma) 		4 TYR A1498
GLY A1473
TYR A1495
ASP C3238
 None
SMC  A1472 ( 2.4A)
None
None
 1.08A 2g72B-1e6yA:
undetectable		 2g72B-1e6yA:
18.36
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.
1fta FRUCTOSE-1,6-BISPHOS
PHATASE

(Homo sapiens) 		PF00316
(FBPase) 		4 TYR A 264
TYR A 215
GLY A 273
ASP A 309
 None
 1.09A 2g72B-1ftaA:
undetectable		 2g72B-1ftaA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1hxj BETA-GLUCOSIDASE

(Zea mays) 		PF00232
(Glyco_hydro_1) 		4 TYR A 398
GLY A 252
TYR A 132
ASP A 238
 None
 1.05A 2g72B-1hxjA:
undetectable		 2g72B-1hxjA:
18.95
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.
1kag SHIKIMATE KINASE I

(Escherichia
coli) 		PF01202
(SKI) 		4 TYR A 144
GLY A  81
ASP A  36
ASP A  46
 None
 1.07A 2g72B-1kagA:
undetectable		 2g72B-1kagA:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lrw METHANOL
DEHYDROGENASE
SUBUNIT 1

(Paracoccus
denitrificans) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 TYR A 183
GLY A 172
TYR A 187
ASN A 242
 None
 1.04A 2g72B-1lrwA:
undetectable		 2g72B-1lrwA:
18.61
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.
1lwu FIBRINOGEN GAMMA
CHAIN

(Petromyzon
marinus) 		PF00147
(Fibrinogen_C) 		4 TYR C 260
GLY C 290
TYR C 279
ASP C 295
 None
 0.95A 2g72B-1lwuC:
undetectable		 2g72B-1lwuC:
18.88
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.
1m2w MANNITOL
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF01232
(Mannitol_dh)
PF08125
(Mannitol_dh_C) 		4 TYR A  86
GLY A  89
ASP A  90
ASN A 364
 None
 1.01A 2g72B-1m2wA:
3.3		 2g72B-1m2wA:
20.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1n7j PHENYLETHANOLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		7 TYR A  35
TYR A  40
GLY A  81
TYR A  85
ASP A 101
ASN A 106
ASP A 158
 SAH  A2002 ( 4.4A)
SAH  A2002 (-4.6A)
SAH  A2002 (-3.0A)
SAH  A2002 (-4.6A)
SAH  A2002 (-3.1A)
SAH  A2002 (-3.6A)
SAH  A2002 (-3.6A)
 0.17A 2g72B-1n7jA:
46.0		 2g72B-1n7jA:
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.
1nkv HYPOTHETICAL PROTEIN
YJHP

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		4 GLY A  46
TYR A  25
ASP A  66
ASP A  94
 None
 0.68A 2g72B-1nkvA:
11.1		 2g72B-1nkvA:
24.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nkv HYPOTHETICAL PROTEIN
YJHP

(Escherichia
coli) 		PF13847
(Methyltransf_31) 		4 TYR A  25
GLY A  46
ASP A  66
ASP A  94
 None
 1.03A 2g72B-1nkvA:
11.1		 2g72B-1nkvA:
24.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qdb CYTOCHROME C NITRITE
REDUCTASE

(Sulfurospirillum
deleyianum) 		PF02335
(Cytochrom_C552) 		4 GLY A 166
TYR A 498
ASN A 169
ASP A 172
 HEM  A 516 (-4.4A)
None
HEM  A 517 ( 4.4A)
None
 0.87A 2g72B-1qdbA:
undetectable		 2g72B-1qdbA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qs8 PLASMEPSIN

(Plasmodium
vivax) 		PF00026
(Asp) 		4 TYR A  58
GLY A  23
ASP A  24
ASN A  25
 None
 1.09A 2g72B-1qs8A:
undetectable		 2g72B-1qs8A:
22.12
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.
1sdd COAGULATION FACTOR V

(Bos taurus) 		PF07732
(Cu-oxidase_3) 		4 TYR A  91
GLY A  97
TYR A 145
ASP A 112
 None
None
None
CA  A2184 (-2.5A)
 1.00A 2g72B-1sddA:
undetectable		 2g72B-1sddA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sfr ANTIGEN 85-A

(Mycobacterium
tuberculosis) 		PF00756
(Esterase) 		4 TYR A 174
TYR A  95
ASP A  40
ASP A  52
 None
 1.10A 2g72B-1sfrA:
undetectable		 2g72B-1sfrA:
22.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sp3 CYTOCHROME C,
PUTATIVE

(Shewanella
oneidensis) 		PF11783
(Cytochrome_cB)
PF13435
(Cytochrome_C554) 		4 TYR A 314
GLY A 317
ASP A 321
ASN A 292
 None
 1.08A 2g72B-1sp3A:
undetectable		 2g72B-1sp3A:
18.89
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.
1t47 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Streptomyces
avermitilis) 		PF00903
(Glyoxalase) 		4 TYR A 225
GLY A 362
ASP A 325
ASP A 329
 None
 1.09A 2g72B-1t47A:
undetectable		 2g72B-1t47A:
22.42
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.
1uf3 HYPOTHETICAL PROTEIN
TT1561

(Thermus
thermophilus) 		PF14582
(Metallophos_3) 		4 GLY A  71
TYR A 131
ASN A  41
ASP A  51
 None
 1.07A 2g72B-1uf3A:
undetectable		 2g72B-1uf3A:
20.27
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.
1v02 DHURRINASE

(Sorghum bicolor) 		PF00232
(Glyco_hydro_1) 		4 TYR A 401
GLY A 255
TYR A 138
ASP A 241
 None
 0.90A 2g72B-1v02A:
undetectable		 2g72B-1v02A:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1w6s METHANOL
DEHYDROGENASE
SUBUNIT 1

(Methylobacterium
extorquens) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		4 TYR A 183
GLY A 172
TYR A 187
ASN A 242
 None
 1.10A 2g72B-1w6sA:
undetectable		 2g72B-1w6sA:
21.16
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.
1w7c LYSYL OXIDASE

(Komagataella
pastoris) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF09248
(DUF1965) 		4 TYR A 480
GLY A 402
ASN A 405
ASP A 175
 TPQ  A 478 ( 3.9A)
None
None
None
 1.03A 2g72B-1w7cA:
undetectable		 2g72B-1w7cA:
16.36
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.
1wcg THIOGLUCOSIDASE

(Brevicoryne
brassicae) 		PF00232
(Glyco_hydro_1) 		4 GLY A 378
TYR A 309
ASP A 379
ASP A 384
 None
GOL  A1466 ( 3.7A)
None
None
 1.03A 2g72B-1wcgA:
undetectable		 2g72B-1wcgA:
20.47
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.
1wzn SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		4 TYR A  12
GLY A  51
ASP A  70
ASP A  96
 SAH  A1001 (-4.9A)
SAH  A1001 (-3.1A)
SAH  A1001 (-2.7A)
SAH  A1001 (-3.3A)
 0.61A 2g72B-1wznA:
14.6		 2g72B-1wznA:
20.72
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.
1xoc OLIGOPEPTIDE-BINDING
PROTEIN APPA

(Bacillus
subtilis) 		PF00496
(SBP_bac_5) 		4 TYR A 266
TYR A 483
GLY A 418
ASP A  47
 None
None
None
ZN  A 533 (-2.4A)
 1.11A 2g72B-1xocA:
undetectable		 2g72B-1xocA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y8c S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Clostridium
acetobutylicum) 		PF13649
(Methyltransf_25) 		4 GLY A  48
TYR A  21
ASP A  67
ASP A  93
 None
 1.08A 2g72B-1y8cA:
15.7		 2g72B-1y8cA:
20.00
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.
1y9u PUTATIVE IRON
BINDING PROTEIN

(Bordetella
pertussis) 		PF13343
(SBP_bac_6) 		4 GLY A 178
TYR A 143
ASP A 181
ASP A 212
 None
 1.08A 2g72B-1y9uA:
undetectable		 2g72B-1y9uA:
22.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		7 TYR A  20
TYR A  25
GLY A  65
TYR A  69
ASP A  85
ASN A  90
ASP A 142
 SAH  A4001 (-4.2A)
SAH  A4001 (-4.4A)
SAH  A4001 (-3.0A)
SAH  A4001 (-4.4A)
SAH  A4001 (-2.7A)
SAH  A4001 (-3.9A)
SAH  A4001 (-3.7A)
 0.30A 2g72B-2a14A:
36.8		 2g72B-2a14A:
35.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		4 TYR A  24
ASP A  85
ASN A  90
ASP A 142
 None
SAH  A4001 (-2.7A)
SAH  A4001 (-3.9A)
SAH  A4001 (-3.7A)
 1.08A 2g72B-2a14A:
36.8		 2g72B-2a14A:
35.56
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.
2d5w PEPTIDE ABC
TRANSPORTER,
PEPTIDE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF00496
(SBP_bac_5) 		4 TYR A 563
GLY A 576
TYR A 249
ASN A 578
 None
 1.02A 2g72B-2d5wA:
undetectable		 2g72B-2d5wA:
20.36
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.
2ekc TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Aquifex
aeolicus) 		PF00290
(Trp_syntA) 		4 TYR A  22
GLY A  51
TYR A 102
ASP A  29
 None
 1.08A 2g72B-2ekcA:
undetectable		 2g72B-2ekcA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f5x BUGD

(Bordetella
pertussis) 		PF03401
(TctC) 		4 TYR A  79
GLY A 134
ASN A 132
ASP A 168
 None
 1.10A 2g72B-2f5xA:
undetectable		 2g72B-2f5xA:
21.97
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.
2ge7 NUCLEOCAPSID PROTEIN

(Avian
coronavirus) 		PF00937
(Corona_nucleoca) 		4 GLY A  30
ASP A 107
ASN A  34
ASP A 103
 None
 1.06A 2g72B-2ge7A:
undetectable		 2g72B-2ge7A:
17.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		7 TYR A  21
TYR A  26
GLY A  66
TYR A  70
ASP A  86
ASN A  91
ASP A 143
 SAH  A4001 (-4.5A)
SAH  A4001 (-4.4A)
SAH  A4001 (-3.2A)
SAH  A4001 (-4.3A)
SAH  A4001 (-2.9A)
SAH  A4001 (-3.9A)
SAH  A4001 (-4.0A)
 0.33A 2g72B-2i62A:
37.0		 2g72B-2i62A:
37.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		4 TYR A  25
ASP A  86
ASN A  91
ASP A 143
 None
SAH  A4001 (-2.9A)
SAH  A4001 (-3.9A)
SAH  A4001 (-4.0A)
 1.03A 2g72B-2i62A:
37.0		 2g72B-2i62A:
37.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		4 TYR A  25
ASP A  86
ASN A  91
ASP A 143
 None
SAH  A4001 (-2.9A)
SAH  A4001 (-3.9A)
SAH  A4001 (-4.0A)
 1.04A 2g72B-2i62A:
37.0		 2g72B-2i62A:
37.23
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		7 TYR A  20
TYR A  25
GLY A  65
TYR A  69
ASP A  85
ASN A  90
ASP A 142
 SAH  A4001 (-4.6A)
SAH  A4001 (-4.4A)
SAH  A4001 (-3.0A)
SAH  A4001 (-4.6A)
SAH  A4001 (-2.6A)
SAH  A4001 (-4.0A)
SAH  A4001 (-3.7A)
 0.36A 2g72B-2iipA:
36.7		 2g72B-2iipA:
36.90
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		4 TYR A  24
ASP A  85
ASN A  90
ASP A 142
 None
SAH  A4001 (-2.6A)
SAH  A4001 (-4.0A)
SAH  A4001 (-3.7A)
 1.06A 2g72B-2iipA:
36.7		 2g72B-2iipA:
36.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j7a CYTOCHROME C NITRITE
REDUCTASE NRFA

(Desulfovibrio
vulgaris) 		PF02335
(Cytochrom_C552) 		4 TYR A 237
TYR A 265
GLY A 270
ASP A 271
 None
 0.95A 2g72B-2j7aA:
undetectable		 2g72B-2j7aA:
20.54
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.
2pgg RNA-DIRECTED RNA
POLYMERASE

(Infectious
bursal disease
virus) 		PF04197
(Birna_RdRp) 		4 GLY A 730
ASP A 766
ASN A 727
ASP A 763
 None
 1.04A 2g72B-2pggA:
undetectable		 2g72B-2pggA:
17.44
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.
2pxx UNCHARACTERIZED
PROTEIN MGC2408

(Homo sapiens) 		PF08241
(Methyltransf_11) 		4 TYR A  39
GLY A  68
ASP A  88
ASP A 113
 None
SAH  A 301 ( 3.2A)
SAH  A 301 (-2.9A)
SAH  A 301 (-3.1A)
 1.05A 2g72B-2pxxA:
13.6		 2g72B-2pxxA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		4 TYR A  26
GLY A  86
ASP A 110
ASP A 135
 SAM  A 400 ( 3.8A)
SAM  A 400 ( 3.2A)
SAM  A 400 (-2.7A)
SAM  A 400 (-3.4A)
 0.59A 2g72B-2qe6A:
13.3		 2g72B-2qe6A:
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.
2vp1 PERIPLASMIC
IRON-BINDING PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		4 GLY A  80
ASP A  81
ASN A  37
ASP A 276
 None
 1.00A 2g72B-2vp1A:
undetectable		 2g72B-2vp1A:
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		4 GLY A 912
TYR A 841
ASN A 913
ASP A 947
 None
 1.08A 2g72B-2x2iA:
undetectable		 2g72B-2x2iA:
13.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xka FTSZ/TUBULIN-RELATED
PROTEIN

(Bacillus
thuringiensis) 		PF00091
(Tubulin) 		4 GLY A 361
TYR A 321
ASP A 362
ASP A 332
 None
 1.01A 2g72B-2xkaA:
2.5		 2g72B-2xkaA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbm PROTEIN-TYROSINE-PHO
SPHATASE

(Shewanella sp.) 		PF00149
(Metallophos) 		4 GLY A  10
ASP A   9
ASN A 123
ASP A 167
 None
 1.03A 2g72B-2zbmA:
undetectable		 2g72B-2zbmA:
20.79
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.
3aar ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE I

(Legionella
pneumophila) 		PF01150
(GDA1_CD39) 		4 GLY A 299
TYR A 356
ASN A 302
ASP A 383
 ANP  A   1 (-2.8A)
None
ANP  A   1 (-4.0A)
None
 1.03A 2g72B-3aarA:
undetectable		 2g72B-3aarA:
21.22
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.
3acp WD REPEAT-CONTAINING
PROTEIN YGL004C

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 GLY A 297
TYR A 339
ASN A 298
ASP A 236
 None
 1.06A 2g72B-3acpA:
undetectable		 2g72B-3acpA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c60 TCR YAE62 BETA CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR B  48
GLY B  96
TYR B  46
ASP B  97
 None
 1.01A 2g72B-3c60B:
undetectable		 2g72B-3c60B:
24.07
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.
3d2l SAM-DEPENDENT
METHYLTRANSFERASE

(Exiguobacterium
sibiricum) 		PF13649
(Methyltransf_25) 		4 GLY A  42
TYR A  19
ASP A  60
ASP A  86
 None
 0.86A 2g72B-3d2lA:
14.7		 2g72B-3d2lA:
24.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3d36 SPORULATION KINASE B

(Geobacillus
stearothermophilus) 		PF00512
(HisKA)
PF02518
(HATPase_c) 		4 TYR A 260
GLY A 381
TYR A 369
ASN A 320
 None
ADP  A 500 (-3.7A)
None
None
 1.08A 2g72B-3d36A:
undetectable		 2g72B-3d36A:
20.98
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.
3dlc PUTATIVE
S-ADENOSYL-L-METHION
INE-DEPENDENT
METHYLTRANSFERASE

(Methanococcus
maripaludis) 		PF08241
(Methyltransf_11) 		4 GLY A  52
TYR A  28
ASP A  72
ASP A 100
 SAM  A 220 (-3.2A)
SAM  A 220 (-4.5A)
SAM  A 220 (-2.9A)
SAM  A 220 (-3.2A)
 0.85A 2g72B-3dlcA:
12.8		 2g72B-3dlcA:
23.73
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.
3dv9 BETA-PHOSPHOGLUCOMUT
ASE

(Bacteroides
vulgatus) 		PF13419
(HAD_2) 		4 TYR A  59
GLY A  29
ASN A 187
ASP A 229
 EDO  A 303 (-4.8A)
MG  A 301 ( 4.6A)
MG  A 301 (-2.7A)
None
 1.08A 2g72B-3dv9A:
2.1		 2g72B-3dv9A:
21.50
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.
3g5t TRANS-ACONITATE
3-METHYLTRANSFERASE

(Saccharomyces
cerevisiae) 		PF13847
(Methyltransf_31) 		4 TYR A  14
GLY A  46
TYR A  21
ASP A  68
 SAH  A 308 ( 4.6A)
SAH  A 308 (-3.6A)
SAH  A 308 (-4.6A)
SAH  A 308 (-2.6A)
 0.82A 2g72B-3g5tA:
12.7		 2g72B-3g5tA:
21.21
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.
3go4 PROTEIN OF UNKNOWN
FUNCTION DUF574

(Streptomyces
avermitilis) 		PF04672
(Methyltransf_19) 		4 TYR A  27
GLY A  87
ASP A 111
ASP A 138
 SAH  A 277 (-4.3A)
SAH  A 277 (-3.1A)
SAH  A 277 (-2.7A)
SAH  A 277 (-3.5A)
 0.67A 2g72B-3go4A:
12.9		 2g72B-3go4A:
25.16
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.
3gyx ADENYLYLSULFATE
REDUCTASE

(Desulfovibrio
gigas) 		PF00890
(FAD_binding_2) 		4 GLY A 152
ASP A 153
ASN A 151
ASP A 131
 None
 1.04A 2g72B-3gyxA:
undetectable		 2g72B-3gyxA:
18.22
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.
3ifr CARBOHYDRATE KINASE,
FGGY

(Rhodospirillum
rubrum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 TYR A 295
GLY A 131
TYR A 288
ASP A 122
 None
 1.05A 2g72B-3ifrA:
undetectable		 2g72B-3ifrA:
22.10
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.
3ooq AMIDOHYDROLASE

(Thermotoga
maritima) 		PF01979
(Amidohydro_1) 		4 TYR A 182
GLY A 126
ASN A 123
ASP A  79
 None
 0.84A 2g72B-3ooqA:
undetectable		 2g72B-3ooqA:
23.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ou6 SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
luridus) 		PF13649
(Methyltransf_25) 		4 TYR A  22
GLY A  56
ASP A  75
ASP A  98
 SAM  A 300 (-4.4A)
SAM  A 300 (-3.1A)
SAM  A 300 (-2.8A)
SAM  A 300 (-4.0A)
 0.55A 2g72B-3ou6A:
17.2		 2g72B-3ou6A:
25.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p4g ANTIFREEZE PROTEIN

(Marinomonas
primoryensis) 		no annotation 4 GLY A  90
TYR A  87
ASP A  91
ASN A  64
 None
 1.10A 2g72B-3p4gA:
undetectable		 2g72B-3p4gA:
21.31
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.
3piq HUMAN MONOCLONAL
ANTIBODY 2909 FAB
HEAVY CHAIN

(Homo sapiens) 		no annotation 4 TYR H 100
TYR H 100
GLY H  97
ASP H  95
 None
 1.10A 2g72B-3piqH:
undetectable		 2g72B-3piqH:
21.60
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.
3q3h HMW1C-LIKE
GLYCOSYLTRANSFERASE

(Actinobacillus
pleuropneumoniae) 		no annotation 4 GLY A 518
TYR A 222
ASP A 546
ASP A 388
 None
 1.09A 2g72B-3q3hA:
undetectable		 2g72B-3q3hA:
17.78
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.
3qvu SULFOTRANSFERASE 1A1

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		4 TYR A  46
TYR A 139
GLY A 165
TYR A 143
 None
 1.07A 2g72B-3qvuA:
undetectable		 2g72B-3qvuA:
20.56
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.
3rq1 AMINOTRANSFERASE
CLASS I AND II

(Veillonella
parvula) 		PF00155
(Aminotran_1_2) 		4 TYR A 352
GLY A 186
TYR A 328
ASP A 198
 None
 1.10A 2g72B-3rq1A:
undetectable		 2g72B-3rq1A:
20.71
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.
3td9 BRANCHED CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Thermotoga
maritima) 		PF13458
(Peripla_BP_6) 		4 TYR A 213
GLY A 140
TYR A 166
ASP A 368
 None
None
PHE  A 400 (-3.8A)
None
 0.97A 2g72B-3td9A:
undetectable		 2g72B-3td9A:
21.93
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.
4aov ISOCITRATE
DEHYDROGENASE [NADP]

(Desulfotalea
psychrophila) 		PF00180
(Iso_dh) 		4 GLY A  14
TYR A  85
ASP A  13
ASN A  72
 None
 1.11A 2g72B-4aovA:
undetectable		 2g72B-4aovA:
20.64
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.
4be9 STEROL ESTERASE

(Ophiostoma
piceae) 		PF00135
(COesterase) 		4 TYR A 144
TYR A 143
ASP A 468
ASP A 348
 None
PEG  A1559 ( 4.7A)
None
None
 1.09A 2g72B-4be9A:
undetectable		 2g72B-4be9A:
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.
4bxs VENOM PROTHROMBIN
ACTIVATOR
PSEUTARIN-C
NON-CATALYTIC
SUBUNIT

(Pseudonaja
textilis) 		PF00754
(F5_F8_type_C)
PF07732
(Cu-oxidase_3) 		4 TYR V 888
GLY V 894
TYR V 942
ASP V 909
 None
None
None
CA  V2431 (-3.3A)
 0.96A 2g72B-4bxsV:
undetectable		 2g72B-4bxsV:
11.46
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.
4cmw DITERPENE SYNTHASE

(Mycobacterium
tuberculosis) 		no annotation 4 GLY A 162
ASP A 214
ASN A 163
ASP A  34
 None
None
None
PEG  A1299 ( 3.6A)
 0.94A 2g72B-4cmwA:
undetectable		 2g72B-4cmwA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fiu HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 TYR A  12
TYR A 350
GLY A 318
ASP A  22
 None
 1.10A 2g72B-4fiuA:
undetectable		 2g72B-4fiuA:
18.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fmu HISTONE-LYSINE
N-METHYLTRANSFERASE
SETD2

(Homo sapiens) 		PF00856
(SET) 		4 TYR A1579
GLY A1581
ASN A1479
ASP A1585
 0UM  A1804 (-4.5A)
None
None
None
 1.10A 2g72B-4fmuA:
undetectable		 2g72B-4fmuA:
21.73
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.
4mt4 CMEC

(Campylobacter
jejuni) 		PF02321
(OEP) 		4 TYR A  14
GLY A 263
ASN A  18
ASP A 259
 None
 1.04A 2g72B-4mt4A:
undetectable		 2g72B-4mt4A:
21.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mwz PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE,
PUTATIVE

(Plasmodium
vivax) 		PF13649
(Methyltransf_25) 		4 TYR A  32
GLY A  62
ASP A  82
ASP A 107
 None
SAM  A 301 ( 3.8A)
SAM  A 301 (-2.8A)
SAM  A 301 (-3.5A)
 1.06A 2g72B-4mwzA:
14.5		 2g72B-4mwzA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mzd NISIN LEADER
PEPTIDE-PROCESSING
SERINE PROTEASE NISP

(Lactococcus
lactis) 		PF00082
(Peptidase_S8) 		4 GLY A 305
ASP A 302
ASN A 501
ASP A 299
 None
 1.06A 2g72B-4mzdA:
undetectable		 2g72B-4mzdA:
19.47
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.
4pp1 HEAVY CHAIN OF FAB
FRAGMENT OF MAB 5H8

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		4 TYR D 105
GLY D  33
TYR D 102
ASP D  72
 None
 1.05A 2g72B-4pp1D:
undetectable		 2g72B-4pp1D:
19.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		4 TYR B  22
GLY B  57
ASP B  77
ASP B  99
 SAM  B 301 (-4.6A)
SAM  B 301 (-3.3A)
SAM  B 301 (-2.6A)
SAM  B 301 (-3.7A)
 0.61A 2g72B-4qtuB:
13.3		 2g72B-4qtuB:
22.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r6w PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE

(Plasmodium
falciparum) 		PF13649
(Methyltransf_25) 		4 TYR A  35
GLY A  65
ASP A  85
ASP A 110
 None
SAH  A 302 (-3.6A)
SAH  A 302 (-2.6A)
SAH  A 302 (-3.6A)
 1.02A 2g72B-4r6wA:
15.7		 2g72B-4r6wA:
20.70
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.
4rjw PORIN O

(Pseudomonas
aeruginosa) 		PF07396
(Porin_O_P) 		4 GLY A 399
ASP A 400
ASN A 398
ASP A 404
 None
 1.06A 2g72B-4rjwA:
undetectable		 2g72B-4rjwA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tqo METHANOL
DEHYDROGENASE
PROTEIN, LARGE
SUBUNIT

(Methylococcus
capsulatus) 		no annotation 4 TYR B 211
GLY B 200
TYR B 215
ASN B 270
 None
 1.06A 2g72B-4tqoB:
undetectable		 2g72B-4tqoB:
20.95
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.
4z2a FURIN

(Homo sapiens) 		PF00082
(Peptidase_S8)
PF01483
(P_proprotein) 		4 GLY A 432
TYR A 142
ASP A 430
ASN A 133
 None
 0.81A 2g72B-4z2aA:
undetectable		 2g72B-4z2aA:
20.88
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.
4zr5 NEPRILYSIN

(Oryctolagus
cuniculus) 		PF01431
(Peptidase_M13)
PF05649
(Peptidase_M13_N) 		4 GLY A 594
ASP A 591
ASN A 593
ASP A 651
 None
 0.84A 2g72B-4zr5A:
undetectable		 2g72B-4zr5A:
15.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ztp HEAVY CHAIN OF FAB
FRAGMENT OF RABBIT
MONOCLONAL ANTIBODY
R53
LIGHT CHAIN OF FAB
FRAGMENT OF RABBIT
MONOCLONAL ANTIBODY
R53

(Oryctolagus
cuniculus;
Oryctolagus
cuniculus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		4 TYR H  99
TYR L  32
GLY H  99
ASP H  99
 None
 1.00A 2g72B-4ztpH:
undetectable		 2g72B-4ztpH:
21.75
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.
5aeb LRA-12

(uncultured
bacterium BLR12) 		PF00753
(Lactamase_B) 		4 TYR A 236
GLY A 199
TYR A 154
ASP A 139
 None
 1.09A 2g72B-5aebA:
undetectable		 2g72B-5aebA:
20.33
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.
5ege ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 6

(Mus musculus) 		PF01663
(Phosphodiest) 		4 TYR A 188
GLY A  33
TYR A  75
ASP A 245
 None
 0.97A 2g72B-5egeA:
undetectable		 2g72B-5egeA:
22.22
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.
5i2h O-METHYLTRANSFERASE
FAMILY 2

(Planctopirus
limnophila) 		PF00891
(Methyltransf_2)
PF16864
(Dimerisation2) 		4 GLY A 203
TYR A 207
ASP A 224
ASP A 251
 None
None
EDO  A 504 (-4.0A)
EDO  A 504 (-3.8A)
 1.01A 2g72B-5i2hA:
13.4		 2g72B-5i2hA:
23.42
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.
5iva LPS-ASSEMBLY PROTEIN
LPTD
LPS-ASSEMBLY
LIPOPROTEIN LPTE

(Pseudomonas
aeruginosa;
Pseudomonas
aeruginosa) 		PF04453
(OstA_C)
PF04390
(LptE) 		4 GLY B  72
ASP A 536
ASN A 535
ASP B 111
 None
 1.02A 2g72B-5ivaB:
undetectable		 2g72B-5ivaB:
20.00
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.
5j7x DIMETHYLANILINE
MONOOXYGENASE,
PUTATIVE

(Aspergillus
flavus) 		PF00743
(FMO-like) 		4 TYR A  69
GLY A 447
ASN A 446
ASP A 456
 FAD  A 601 (-3.9A)
FAD  A 601 (-3.3A)
FAD  A 601 (-4.9A)
None
 0.93A 2g72B-5j7xA:
undetectable		 2g72B-5j7xA:
19.61
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.
5m58 C-METHYLTRANSFERASE
COUO

(Streptomyces
rishiriensis) 		PF13649
(Methyltransf_25) 		4 GLY A  49
TYR A  25
ASP A  70
ASP A  96
 SAH  A 301 (-3.3A)
SAH  A 301 (-4.5A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.5A)
 0.97A 2g72B-5m58A:
13.0		 2g72B-5m58A:
24.84
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.
5mgz 8-DEMETHYLNOVOBIOCIC
ACID
C(8)-METHYLTRANSFERA
SE

(Streptomyces
niveus) 		PF13649
(Methyltransf_25) 		4 GLY A  49
TYR A  25
ASP A  70
ASP A  96
 SAH  A 301 (-3.4A)
SAH  A 301 (-4.5A)
SAH  A 301 (-2.8A)
SAH  A 301 (-3.5A)
 0.97A 2g72B-5mgzA:
13.1		 2g72B-5mgzA:
24.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mif 'CARBOXYL ESTERASE 2

(Tuber
melanosporum) 		PF07859
(Abhydrolase_3) 		4 TYR A 148
GLY A 192
TYR A 128
ASP A 222
 None
 1.11A 2g72B-5mifA:
2.0		 2g72B-5mifA:
23.68
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.
5nb9 RNA CHAPERONE PROQ

(Escherichia
coli) 		PF04352
(ProQ) 		4 GLY A 103
ASP A  96
ASN A 100
ASP A  58
 None
 1.01A 2g72B-5nb9A:
undetectable		 2g72B-5nb9A:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o77 OMPK35

(Klebsiella
pneumoniae) 		no annotation 4 GLY A 180
TYR A 220
ASN A 179
ASP A 143
 None
 1.02A 2g72B-5o77A:
undetectable		 2g72B-5o77A:
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.
5swk DE NOVO PROTEIN
BASED ON THE
INHIBITOR
AMOEBIASIN-1

(Entamoeba
histolytica) 		no annotation 4 TYR C  82
TYR C  64
GLY C  31
TYR C  48
 None
 1.09A 2g72B-5swkC:
undetectable		 2g72B-5swkC:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u6b TYROSINE-PROTEIN
KINASE RECEPTOR UFO

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 GLY A 692
TYR A 726
ASP A 690
ASP A 627
 None
None
None
7YS  A9001 (-3.5A)
 0.90A 2g72B-5u6bA:
undetectable		 2g72B-5u6bA:
19.35
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.
5usc PREPHENATE
DEHYDROGENASE

(Bacillus
anthracis) 		PF02153
(PDH) 		4 GLY A 177
TYR A 155
ASP A  36
ASP A  38
 None
 1.09A 2g72B-5uscA:
3.5		 2g72B-5uscA:
20.36
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.
5x1n VANILLATE/3-O-METHYL
GALLATE
O-DEMETHYLASE

(Sphingobium sp.
SYK-6) 		PF01571
(GCV_T)
PF08669
(GCV_T_C) 		4 GLY A 343
TYR A 396
ASP A 344
ASN A 342
 None
 1.08A 2g72B-5x1nA:
undetectable		 2g72B-5x1nA:
21.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xvh 6-PHOSPHOGLUCONATE
DEHYDROGENASE,
NAD-BINDING PROTEIN

(Pyrobaculum
calidifontis) 		no annotation 4 TYR A 159
GLY A 137
ASP A 117
ASP A  99
 None
 1.08A 2g72B-5xvhA:
3.4		 2g72B-5xvhA:
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.
5yrp SENSORY BOX/RESPONSE
REGULATOR

(Mycolicibacterium
smegmatis) 		no annotation 4 GLY A 541
ASP A 542
ASN A 539
ASP A 529
 None
 0.95A 2g72B-5yrpA:
undetectable		 2g72B-5yrpA:
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.
6d3u ULVAN LYASE

(Nonlabens
ulvanivorans) 		no annotation 4 TYR A 278
TYR A  99
GLY A  75
TYR A  86
 None
 0.77A 2g72B-6d3uA:
undetectable		 2g72B-6d3uA:
undetectable