SIMILAR PATTERNS OF AMINO ACIDS FOR 4E1G_A_LNLA701_1

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.
1aql BILE-SALT ACTIVATED
LIPASE

(Bos taurus) 		PF00135
(COesterase) 		5 ASN A 209
ILE A 213
GLY A 197
ALA A 198
LEU A 205
 None
 1.01A 4e1gA-1aqlA:
0.0		 4e1gA-1aqlA:
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.
1aql BILE-SALT ACTIVATED
LIPASE

(Bos taurus) 		PF00135
(COesterase) 		5 ILE A 213
GLY A 197
ALA A 198
SER A 201
LEU A 205
 None
 0.78A 4e1gA-1aqlA:
0.0		 4e1gA-1aqlA:
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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 PHE A 222
TYR A 428
GLY A 205
ALA A 206
LEU A 213
 None
 0.95A 4e1gA-1b41A:
0.0		 4e1gA-1b41A:
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.
1b88 T CELL RECEPTOR
V-ALPHA DOMAIN

(Mus musculus) 		PF07686
(V-set) 		5 PHE A  66
ILE A  50
PHE A  33
TYR A  25
ALA A  94
 None
 1.05A 4e1gA-1b88A:
undetectable		 4e1gA-1b88A:
10.49
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.
1bxn PROTEIN (RIBULOSE
BISPHOSPHATE
CARBOXYLASE LARGE
CHAIN)
PROTEIN (RIBULOSE
BISPHOSPHATE
CARBOXYLASE SMALL
CHAIN)

(Cupriavidus
necator) 		PF00016
(RuBisCO_large)
PF00101
(RuBisCO_small)
PF02788
(RuBisCO_large_N) 		5 TYR I 123
ILE A 409
GLY A 189
GLY A 195
LEU A 196
 None
 0.97A 4e1gA-1bxnI:
0.8		 4e1gA-1bxnI:
11.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		11 PHE A 205
PHE A 209
TYR A 355
ASN A 375
ILE A 377
PHE A 381
TYR A 385
GLY A 526
ALA A 527
GLY A 533
LEU A 534
 OAS  A 530 ( 4.7A)
None
SCL  A 700 (-4.3A)
None
None
OAS  A 530 ( 4.7A)
None
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
OAS  A 530 ( 4.0A)
OAS  A 530 ( 3.3A)
 0.33A 4e1gA-1ebvA:
58.5		 4e1gA-1ebvA:
62.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		6 PHE A 210
TYR A 355
ILE A 377
PHE A 381
GLY A 526
ALA A 527
 HEM  A 601 (-4.7A)
SCL  A 700 (-4.3A)
None
OAS  A 530 ( 4.7A)
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
 1.29A 4e1gA-1ebvA:
58.5		 4e1gA-1ebvA:
62.59
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.
1gae D-GLYCERALDEHYDE-3-P
HOSPHATE
DEHYDROGENASE

(Escherichia
coli) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 TYR O 311
ASN O 222
GLY O 209
ALA O 210
GLY O 215
 None
 0.87A 4e1gA-1gaeO:
0.0		 4e1gA-1gaeO:
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.
1jd3 CHORISMATE LYASE

(Escherichia
coli) 		PF04345
(Chor_lyase) 		5 TYR A 164
GLY A 136
ALA A 135
GLY A 132
LEU A  11
 None
 0.96A 4e1gA-1jd3A:
undetectable		 4e1gA-1jd3A:
17.37
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.
1o5h FORMIMINOTETRAHYDROF
OLATE CYCLODEAMINASE

(Thermotoga
maritima) 		PF04961
(FTCD_C) 		5 GLY A  25
ALA A  26
SER A  29
GLY A  32
LEU A  73
 None
 0.98A 4e1gA-1o5hA:
undetectable		 4e1gA-1o5hA:
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.
1thg LIPASE 2

(Galactomyces
candidus) 		PF00135
(COesterase) 		5 PHE A 242
TYR A 447
GLY A 219
ALA A 220
LEU A 227
 None
 0.93A 4e1gA-1thgA:
0.0		 4e1gA-1thgA:
21.87
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.
1u3h T-CELL RECEPTOR
ALPHA-CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 PHE A  66
ILE A  49
PHE A  32
TYR A  24
ALA A  98
 None
 0.99A 4e1gA-1u3hA:
undetectable		 4e1gA-1u3hA:
10.40
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		5 PHE A 231
TYR A 422
GLY A 212
ALA A 213
LEU A 220
 None
 0.89A 4e1gA-1ukcA:
undetectable		 4e1gA-1ukcA:
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.
1v3t LEUKOTRIENE B4
12-HYDROXYDEHYDROGEN
ASE/PROSTAGLANDIN
15-KETO REDUCTASE

(Cavia porcellus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 TYR A 181
GLY A 152
ALA A 153
SER A 156
GLY A 159
 None
NAP  A1350 (-3.3A)
NAP  A1350 (-3.4A)
None
None
 0.85A 4e1gA-1v3tA:
undetectable		 4e1gA-1v3tA:
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.
1vra ARGININE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
ARGJ

(Bacillus
halodurans) 		PF01960
(ArgJ) 		5 PHE A 111
ILE A  29
GLY A 150
ALA A 151
GLY A  41
 None
EDO  A 210 (-3.8A)
EDO  A 204 ( 3.8A)
None
None
 1.05A 4e1gA-1vraA:
undetectable		 4e1gA-1vraA:
15.28
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.
1wra TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/CHOLINE
BINDING PROTEIN E
(CBPE)

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B) 		5 ASN A 268
GLY A 234
ALA A 235
GLY A 240
LEU A 242
 None
 1.02A 4e1gA-1wraA:
undetectable		 4e1gA-1wraA:
19.24
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.
1yni SUCCINYLARGININE
DIHYDROLASE

(Escherichia
coli) 		PF04996
(AstB) 		5 TYR A 402
ASN A 306
GLY A  10
GLY A 362
LEU A 353
 None
SUG  A1001 ( 4.1A)
None
None
None
 0.91A 4e1gA-1yniA:
undetectable		 4e1gA-1yniA:
22.64
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.
1zxo CONSERVED
HYPOTHETICAL PROTEIN
Q8A1P1

(Bacteroides
thetaiotaomicron) 		no annotation 5 PHE A 218
TYR A 229
SER A 118
GLY A 115
LEU A 114
 None
 0.99A 4e1gA-1zxoA:
undetectable		 4e1gA-1zxoA:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ash QUEUINE
TRNA-RIBOSYLTRANSFER
ASE

(Thermotoga
maritima) 		PF01702
(TGT) 		5 ILE A 209
PHE A 240
GLY A 243
SER A 213
GLY A 211
 None
None
None
None
EDO  A 404 (-3.0A)
 0.97A 4e1gA-2ashA:
0.1		 4e1gA-2ashA:
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.
2avt DNA POLYMERASE III
BETA SUBUNIT

(Streptococcus
pyogenes) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 PHE A  82
PHE A  11
ILE A   6
PHE A   4
LEU A 106
 None
 1.00A 4e1gA-2avtA:
undetectable		 4e1gA-2avtA:
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.
2awa DNA POLYMERASE III,
BETA CHAIN

(Streptococcus
pneumoniae) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		5 PHE A  82
PHE A  11
ILE A   6
PHE A   4
LEU A 106
 None
 1.00A 4e1gA-2awaA:
undetectable		 4e1gA-2awaA:
21.10
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.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		5 TYR A  86
ILE A 188
GLY A 117
ALA A 116
GLY A 111
 None
 0.91A 4e1gA-2bfeA:
undetectable		 4e1gA-2bfeA:
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.
2bib TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/ CHOLINE
BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B)
PF01473
(CW_binding_1) 		5 ASN A 243
GLY A 209
ALA A 210
GLY A 215
LEU A 217
 None
 1.03A 4e1gA-2bibA:
undetectable		 4e1gA-2bibA:
22.96
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.
2dgj HYPOTHETICAL PROTEIN
EBHA

(Staphylococcus
aureus) 		PF01468
(GA) 		5 ASN A 137
GLY A 127
ALA A 128
SER A 131
GLY A 134
 None
 0.77A 4e1gA-2dgjA:
undetectable		 4e1gA-2dgjA:
16.24
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.
2e5v L-ASPARTATE OXIDASE

(Sulfurisphaera
tokodaii) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ILE A   5
GLY A  34
SER A   7
GLY A  11
LEU A  12
 FAD  A1002 (-4.5A)
FAD  A1002 ( 4.0A)
FAD  A1002 (-3.0A)
None
None
 1.04A 4e1gA-2e5vA:
undetectable		 4e1gA-2e5vA:
21.14
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.
2gk9 PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE II,
GAMMA

(Homo sapiens) 		PF01504
(PIP5K) 		5 TYR A 189
GLY A  54
ALA A  56
SER A  58
LEU A  62
 None
 0.98A 4e1gA-2gk9A:
undetectable		 4e1gA-2gk9A:
21.88
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.
2iyf OLEANDOMYCIN
GLYCOSYLTRANSFERASE

(Streptomyces
antibioticus) 		PF00201
(UDPGT) 		5 GLY A 307
ALA A 308
SER A 311
GLY A 314
LEU A 315
 UDP  A1401 ( 3.9A)
UDP  A1401 (-4.3A)
None
None
None
 0.47A 4e1gA-2iyfA:
undetectable		 4e1gA-2iyfA:
21.45
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.
2ogs THERMOSTABLE
CARBOXYLESTERASE
EST50

(Geobacillus
stearothermophilus) 		PF00135
(COesterase) 		5 PHE A 213
TYR A 392
GLY A 196
ALA A 197
LEU A 204
 PHE  A 213 ( 1.3A)
TYR  A 392 ( 1.3A)
GLY  A 196 ( 0.0A)
ALA  A 197 ( 0.0A)
LEU  A 204 ( 0.6A)
 0.98A 4e1gA-2ogsA:
undetectable		 4e1gA-2ogsA:
20.97
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.
2pcl LIPOPROTEIN-RELEASIN
G SYSTEM ATP-BINDING
PROTEIN LOLD

(Aquifex
aeolicus) 		PF00005
(ABC_tran) 		5 ILE A  23
GLY A  37
ALA A  38
SER A  41
GLY A 215
 None
None
None
SO4  A 226 ( 2.8A)
None
 1.06A 4e1gA-2pclA:
undetectable		 4e1gA-2pclA:
17.54
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.
2qne PUTATIVE
METHYLTRANSFERASE

(Desulfitobacterium
hafniense) 		PF06253
(MTTB) 		5 ASN A  19
ILE A  23
GLY A 236
ALA A 232
LEU A 244
 None
 1.06A 4e1gA-2qneA:
undetectable		 4e1gA-2qneA:
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.
2rng BIG DEFENSIN

(Tachypleus
tridentatus) 		PF14862
(Defensin_big) 		5 TYR A  61
ASN A  34
GLY A  47
ALA A  46
GLY A  10
 None
 1.00A 4e1gA-2rngA:
undetectable		 4e1gA-2rngA:
7.77
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.
2v5n CATION-INDEPENDENT
MANNOSE-6-PHOSPHATE
RECEPTOR

(Homo sapiens) 		PF00878
(CIMR) 		5 PHE A1764
ASN A1693
ILE A1667
GLY A1729
ALA A1728
 None
 1.05A 4e1gA-2v5nA:
undetectable		 4e1gA-2v5nA:
16.40
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.
3cuo UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR YGAV

(Escherichia
coli) 		PF01022
(HTH_5) 		5 GLY A  42
ALA A  41
SER A  40
GLY A  38
LEU A  78
 None
 1.02A 4e1gA-3cuoA:
undetectable		 4e1gA-3cuoA:
10.56
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.
3e6a GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE,
CYTOSOLIC

(Oryza sativa) 		no annotation 5 TYR O 316
ASN O 227
GLY O 214
ALA O 215
GLY O 220
 None
None
SO4  O6921 (-4.1A)
SO4  O6921 (-2.9A)
None
 0.99A 4e1gA-3e6aO:
undetectable		 4e1gA-3e6aO:
18.71
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.
3gnq GLYCERALDEHYDE-3-PHO
SPHATE
DEHYDROGENASE, TYPE
I

(Burkholderia
pseudomallei) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 TYR A 314
ASN A 226
GLY A 213
ALA A 214
GLY A 219
 None
 1.04A 4e1gA-3gnqA:
undetectable		 4e1gA-3gnqA:
20.53
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.
3hrx PROBABLE ENOYL-COA
HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		6 ASN A  99
GLY A  60
ALA A  23
SER A  58
GLY A  52
LEU A  15
 None
 1.38A 4e1gA-3hrxA:
undetectable		 4e1gA-3hrxA:
16.99
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.
3i9x MUTT/NUDIX FAMILY
PROTEIN

(Listeria
innocua) 		PF00293
(NUDIX) 		5 ILE A  49
GLY A 136
ALA A 135
GLY A 143
LEU A 144
 None
 0.96A 4e1gA-3i9xA:
undetectable		 4e1gA-3i9xA:
15.06
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.
3ib5 SEX PHEROMONE
PRECURSOR

(Lactobacillus
salivarius) 		PF07537
(CamS) 		5 ASN A  74
PHE A 228
GLY A  87
ALA A  86
SER A  83
 None
 0.96A 4e1gA-3ib5A:
undetectable		 4e1gA-3ib5A:
19.70
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.
3jbz SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom) 		5 ILE A1636
GLY A1588
ALA A1589
SER A1592
LEU A1596
 None
 0.99A 4e1gA-3jbzA:
undetectable		 4e1gA-3jbzA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3md2 MATRIX PROTEIN 1

(Influenza A
virus) 		PF00598
(Flu_M1) 		5 GLY A 122
ALA A 123
SER A 126
GLY A 129
LEU A 130
 None
 0.77A 4e1gA-3md2A:
undetectable		 4e1gA-3md2A:
16.23
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.
3n2x UNCHARACTERIZED
PROTEIN YAGE

(Escherichia
coli) 		PF00701
(DHDPS) 		6 ASN A 224
ILE A 269
GLY A 202
ALA A 218
SER A 220
GLY A 223
 None
None
MCL  A 174 ( 3.8A)
None
None
None
 1.45A 4e1gA-3n2xA:
undetectable		 4e1gA-3n2xA:
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.
3pe8 ENOYL-COA HYDRATASE

(Mycolicibacterium
smegmatis) 		PF00378
(ECH_1) 		5 ASN A  96
ILE A  95
GLY A  65
ALA A  28
GLY A  57
 None
 0.89A 4e1gA-3pe8A:
undetectable		 4e1gA-3pe8A:
17.18
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.
3qyr ECHA16_2

(Mycobacterium
avium) 		PF00378
(ECH_1) 		5 ASN A  95
ILE A  94
GLY A  64
ALA A  27
GLY A  56
 None
 0.88A 4e1gA-3qyrA:
undetectable		 4e1gA-3qyrA:
18.29
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.
3sth GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Toxoplasma
gondii) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 TYR A 317
ASN A 227
GLY A 214
ALA A 215
GLY A 220
 None
 0.96A 4e1gA-3sthA:
undetectable		 4e1gA-3sthA:
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.
3u3x OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 PHE A  29
ILE A  39
PHE A  67
ALA A  72
LEU A  47
 None
 0.88A 4e1gA-3u3xA:
undetectable		 4e1gA-3u3xA:
19.57
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.
3wfj 2-DEHYDROPANTOATE
2-REDUCTASE

(Enterococcus
faecium) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		5 GLY A   9
ALA A  10
SER A  13
GLY A  16
LEU A  17
 NAD  A 401 (-3.0A)
NAD  A 401 (-3.1A)
None
None
None
 0.90A 4e1gA-3wfjA:
undetectable		 4e1gA-3wfjA:
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.
4b6l SERINE/THREONINE-PRO
TEIN KINASE PLK3

(Homo sapiens) 		PF00069
(Pkinase) 		5 PHE A 191
ALA A 241
SER A 245
GLY A 247
LEU A 246
 None
 0.97A 4e1gA-4b6lA:
undetectable		 4e1gA-4b6lA:
18.31
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.
4c2f CARBOXY-TERMINAL
PROCESSING PROTEASE
CTPB

(Bacillus
subtilis) 		PF01471
(PG_binding_1)
PF03572
(Peptidase_S41)
PF13180
(PDZ_2) 		5 ILE A 263
PHE A 222
GLY A 254
ALA A 308
SER A 311
 None
 0.93A 4e1gA-4c2fA:
undetectable		 4e1gA-4c2fA:
21.99
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.
4dbh 2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE

(Corynebacterium
glutamicum) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		5 ASN A 146
ILE A 251
GLY A 241
ALA A 240
GLY A 117
 None
 0.84A 4e1gA-4dbhA:
undetectable		 4e1gA-4dbhA:
19.97
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.
4f99 CELL DIVISION CYCLE
7-RELATED PROTEIN
KINASE
PROTEIN DBF4 HOMOLOG
A

(Homo sapiens) 		PF00069
(Pkinase)
PF07535
(zf-DBF) 		5 PHE A 414
PHE B 253
GLY A 432
ALA A 455
LEU A 461
 None
 0.91A 4e1gA-4f99A:
undetectable		 4e1gA-4f99A:
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.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 PHE A 670
PHE A 741
ILE A 468
GLY A 677
LEU A 709
 None
 1.04A 4e1gA-4hsuA:
undetectable		 4e1gA-4hsuA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iq4 NON-HAEM
BROMOPEROXIDASE
BPO-A2, MATRIX
PROTEIN 1

(Influenza A
virus;
Kitasatospora
aureofaciens) 		PF00561
(Abhydrolase_1)
PF00598
(Flu_M1) 		5 GLY A 405
ALA A 406
SER A 409
GLY A 412
LEU A 413
 None
 0.78A 4e1gA-4iq4A:
undetectable		 4e1gA-4iq4A:
21.25
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.
4jjt ENOYL-COA HYDRATASE

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 ASN A  95
ILE A  94
GLY A  64
ALA A  27
GLY A  56
 None
 0.87A 4e1gA-4jjtA:
undetectable		 4e1gA-4jjtA:
19.10
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.
4k9d GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Brugia malayi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 TYR A 319
ASN A 230
GLY A 217
ALA A 218
GLY A 223
 None
 0.85A 4e1gA-4k9dA:
undetectable		 4e1gA-4k9dA:
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.
4o59 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Bos taurus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 TYR O 311
ASN O 222
GLY O 209
ALA O 210
GLY O 215
 None
 0.91A 4e1gA-4o59O:
undetectable		 4e1gA-4o59O:
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.
4o6r ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 PHE A 193
GLY A 166
ALA A 165
GLY A  65
LEU A  68
 None
 0.98A 4e1gA-4o6rA:
undetectable		 4e1gA-4o6rA:
22.58
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.
4oan TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT

(Rhodopseudomonas
palustris) 		PF03480
(DctP) 		5 PHE A 118
GLY A  99
ALA A 109
GLY A 133
LEU A 132
 None
 0.99A 4e1gA-4oanA:
undetectable		 4e1gA-4oanA:
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.
4oan TRAP DICARBOXYLATE
TRANSPORTER DCTP
SUBUNIT

(Rhodopseudomonas
palustris) 		PF03480
(DctP) 		5 PHE A 118
ILE A 151
ALA A 108
GLY A 133
LEU A 132
 None
 0.90A 4e1gA-4oanA:
undetectable		 4e1gA-4oanA:
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.
4oe7 PROBABLE
2-KETO-3-DEOXY-GALAC
TONATE ALDOLASE YAGE

(Escherichia
coli) 		PF00701
(DHDPS) 		6 ASN A 224
ILE A 269
GLY A 202
ALA A 218
SER A 220
GLY A 223
 None
None
PYR  A 410 (-4.6A)
None
None
None
 1.45A 4e1gA-4oe7A:
undetectable		 4e1gA-4oe7A:
21.80
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.
4p8r GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
brucei) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 TYR A 312
ASN A 223
GLY A 210
ALA A 211
GLY A 216
 None
 0.97A 4e1gA-4p8rA:
undetectable		 4e1gA-4p8rA:
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 GLY A  68
ALA A  71
SER A  70
GLY A  45
LEU A  48
 None
None
SAM  A 301 (-2.9A)
None
None
 0.92A 4e1gA-4pclA:
undetectable		 4e1gA-4pclA:
16.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		12 PHE A 206
PHE A 210
TYR A 356
ASN A 376
ILE A 378
PHE A 382
TYR A 386
GLY A 527
ALA A 528
SER A 531
GLY A 534
LEU A 535
 None
EDO  A 616 (-3.5A)
IBP  A 601 (-4.5A)
EDO  A 616 (-4.4A)
None
None
IBP  A 601 (-4.8A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
EDO  A 616 (-3.0A)
EDO  A 616 ( 4.4A)
 0.28A 4e1gA-4ph9A:
64.6		 4e1gA-4ph9A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		7 PHE A 211
TYR A 356
ILE A 378
PHE A 382
GLY A 527
ALA A 528
SER A 531
 HEM  A 602 (-4.6A)
IBP  A 601 (-4.5A)
None
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
 1.31A 4e1gA-4ph9A:
64.6		 4e1gA-4ph9A:
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.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		5 TYR A 624
PHE A 313
GLY A 305
ALA A 326
LEU A 334
 None
 1.04A 4e1gA-4qjyA:
undetectable		 4e1gA-4qjyA:
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.
4qww ACETYLCHOLINESTERASE

(Bungarus
fasciatus) 		PF00135
(COesterase) 		5 PHE A 219
TYR A 421
GLY A 202
ALA A 203
LEU A 210
 None
 0.98A 4e1gA-4qwwA:
undetectable		 4e1gA-4qwwA:
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.
4tqv ALGM1
ALGM2

(Sphingomonas
sp.) 		PF00528
(BPD_transp_1) 		5 PHE A 199
PHE A 142
TYR B 163
ALA B 199
LEU B 204
 None
 1.05A 4e1gA-4tqvA:
2.3		 4e1gA-4tqvA:
19.64
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.
4u0g ATP-DEPENDENT CLP
PROTEASE PROTEOLYTIC
SUBUNIT 1

(Mycobacterium
tuberculosis) 		PF00574
(CLP_protease) 		5 ILE H  40
GLY H 100
ALA H  96
SER H  66
GLY H  33
 None
 0.95A 4e1gA-4u0gH:
undetectable		 4e1gA-4u0gH:
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.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		5 GLY A 254
ALA A 255
SER A 258
GLY A 261
LEU A 262
 None
 0.86A 4e1gA-4us4A:
undetectable		 4e1gA-4us4A:
22.38
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.
4wzs SIMILARITY TO
HELICASE MOT1

(Encephalitozoon
cuniculi) 		no annotation 5 TYR C 554
ILE C 603
PHE C 606
ALA C 574
GLY C 568
 None
 0.93A 4e1gA-4wzsC:
undetectable		 4e1gA-4wzsC:
22.09
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.
4ylq COAGULATION FACTOR
VII

(Homo sapiens) 		PF00089
(Trypsin) 		5 PHE H  59
ILE H 212
GLY H 193
GLY H  44
LEU H  33
 None
None
0Z7  H 501 (-3.2A)
None
None
 1.06A 4e1gA-4ylqH:
undetectable		 4e1gA-4ylqH:
16.56
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.
4z0h GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
GAPC1, CYTOSOLIC

(Arabidopsis
thaliana) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 TYR O 311
ASN O 222
GLY O 209
ALA O 210
GLY O 215
 None
None
SO4  O 403 (-3.9A)
SO4  O 403 ( 3.8A)
None
 0.88A 4e1gA-4z0hO:
undetectable		 4e1gA-4z0hO:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aog CATIONIC PEROXIDASE
SPC4

(Sorghum bicolor) 		PF00141
(peroxidase) 		5 PHE A  80
ILE A 197
ALA A 171
GLY A 179
LEU A 180
 HEM  A1341 (-3.4A)
None
None
None
GOL  A1344 ( 4.3A)
 1.02A 4e1gA-5aogA:
undetectable		 4e1gA-5aogA:
19.93
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.
5c2u NUP54

(Xenopus laevis) 		no annotation 5 ASN A 224
ALA A 300
SER A 304
GLY A 306
LEU A 305
 None
 0.89A 4e1gA-5c2uA:
undetectable		 4e1gA-5c2uA:
14.05
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.
5cad SM80.1 VICILIN

(Solanum
melongena) 		PF00190
(Cupin_1) 		5 PHE A 162
ILE A 169
PHE A 173
TYR A 150
GLY A 142
 None
 1.02A 4e1gA-5cadA:
undetectable		 4e1gA-5cadA:
20.23
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.
5cqe MATRIX PROTEIN 1

(Influenza A
virus) 		PF00598
(Flu_M1) 		5 GLY A 122
ALA A 123
SER A 126
GLY A 129
LEU A 130
 None
 0.84A 4e1gA-5cqeA:
undetectable		 4e1gA-5cqeA:
16.59
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.
5dtp PROBABLE ENOYL-COA
HYDRATASE ECHA6

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		6 ASN A  94
ILE A  93
GLY A  59
ALA A  23
GLY A  51
LEU A  15
 None
 1.09A 4e1gA-5dtpA:
undetectable		 4e1gA-5dtpA:
19.82
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.
5ikb GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4,GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
4

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 PHE A  49
ILE A 234
GLY A 219
ALA A  85
LEU A  40
 None
 1.05A 4e1gA-5ikbA:
undetectable		 4e1gA-5ikbA:
19.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		12 PHE A 205
PHE A 209
TYR A 355
ASN A 375
ILE A 377
PHE A 381
TYR A 385
GLY A 526
ALA A 527
SER A 530
GLY A 533
LEU A 534
 None
None
ID8  A 601 (-3.8A)
None
None
None
ID8  A 601 ( 3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
None
None
 0.52A 4e1gA-5ikrA:
62.6		 4e1gA-5ikrA:
87.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		6 PHE A 210
TYR A 355
ILE A 377
PHE A 381
GLY A 526
ALA A 527
 COH  A 602 (-4.0A)
ID8  A 601 (-3.8A)
None
None
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
 1.33A 4e1gA-5ikrA:
62.6		 4e1gA-5ikrA:
87.12
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.
5iw1 T-CELL RECEPTOR
ALPHA CHAIN

(Mus musculus) 		PF07686
(V-set)
PF09291
(DUF1968) 		5 PHE A  67
ILE A  51
PHE A  34
TYR A  26
ALA A  95
 None
 1.06A 4e1gA-5iw1A:
undetectable		 4e1gA-5iw1A:
15.24
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.
5j9g GLYCERALDEHYDE-3-P
DEHYDROGENASE

(Lactobacillus
acidophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 TYR A 318
ASN A 230
GLY A 217
ALA A 218
GLY A 223
 None
 0.84A 4e1gA-5j9gA:
undetectable		 4e1gA-5j9gA:
19.65
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.
5kuf GLUTAMATE RECEPTOR
IONOTROPIC, KAINATE
2

(Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd) 		5 PHE A 445
ILE A 751
GLY A 736
ALA A 482
LEU A 436
 None
 0.96A 4e1gA-5kufA:
undetectable		 4e1gA-5kufA:
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.
5ld5 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Atopobium
vaginae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 TYR A 334
ASN A 242
GLY A 229
ALA A 230
GLY A 235
 None
None
GOL  A 404 (-2.8A)
GOL  A 404 (-3.3A)
None
 0.91A 4e1gA-5ld5A:
undetectable		 4e1gA-5ld5A:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lj9 MACROLIDE EXPORT
ATP-BINDING/PERMEASE
PROTEIN MACB

(Escherichia
coli) 		no annotation 5 ILE A  27
GLY A  41
ALA A  42
SER A  45
GLY A 219
 None
 1.07A 4e1gA-5lj9A:
undetectable		 4e1gA-5lj9A:
16.18
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.
5lq4 CYAGOX

(Cyanothece sp.
PCC 7425) 		PF00881
(Nitroreductase) 		5 PHE A 164
PHE A 188
GLY A 151
ALA A 152
LEU A 173
 None
 1.05A 4e1gA-5lq4A:
undetectable		 4e1gA-5lq4A:
22.93
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.
5oon UNDECAPRENYL-DIPHOSP
HATASE

(Escherichia
coli) 		no annotation 5 GLY A 176
ALA A 177
SER A 180
GLY A 182
LEU A 184
 None
 0.89A 4e1gA-5oonA:
undetectable		 4e1gA-5oonA:
9.49
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.
5tp4 AMIDASE,
HYDANTOINASE/CARBAMO
YLASE FAMILY

(Burkholderia
ambifaria) 		PF01546
(Peptidase_M20) 		5 ASN A  64
GLY A 146
ALA A 147
GLY A 140
LEU A 139
 None
 1.05A 4e1gA-5tp4A:
undetectable		 4e1gA-5tp4A:
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.
5u4n FRUCTOSE-1

(Neisseria
gonorrhoeae) 		PF01116
(F_bP_aldolase) 		5 PHE A 203
GLY A 155
ALA A 154
SER A 197
GLY A 233
 None
None
None
None
PO4  A 401 ( 3.2A)
 0.94A 4e1gA-5u4nA:
undetectable		 4e1gA-5u4nA:
19.90
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.
5ur0 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Naegleria
gruberi) 		no annotation 5 TYR A 312
ASN A 222
GLY A 209
ALA A 210
GLY A 215
 OCS  A 149 ( 4.1A)
None
None
None
None
 0.82A 4e1gA-5ur0A:
undetectable		 4e1gA-5ur0A:
11.09
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.
5vf5 SM80.1 VICILIN

(Solanum
melongena) 		no annotation 5 PHE A 162
ILE A 169
PHE A 173
TYR A 150
GLY A 142
 None
 1.02A 4e1gA-5vf5A:
undetectable		 4e1gA-5vf5A:
8.68
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.
5vmt GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Neisseria
gonorrhoeae) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 TYR A 313
ASN A 225
GLY A 212
ALA A 213
GLY A 218
 None
 0.83A 4e1gA-5vmtA:
undetectable		 4e1gA-5vmtA:
20.80
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.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		5 PHE A 210
TYR A 416
GLY A 193
ALA A 194
LEU A 201
 None
 0.90A 4e1gA-5w1uA:
0.5		 4e1gA-5w1uA:
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.
5y37 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Streptococcus
agalactiae) 		no annotation 5 TYR A 318
ASN A 230
GLY A 217
ALA A 218
GLY A 223
 None
 0.81A 4e1gA-5y37A:
undetectable		 4e1gA-5y37A:
9.36
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 PHE A 379
TYR A 581
GLY A 362
ALA A 363
LEU A 370
 None
None
SEB  A 360 ( 4.1A)
SEB  A 360 ( 3.3A)
None
 0.92A 4e1gA-5ydjA:
undetectable		 4e1gA-5ydjA:
8.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yhp COLD ACTIVE PROLINE
IMINOPEPTIDASE

(Glaciozyma
antarctica) 		no annotation 5 TYR A  29
GLY A  47
ALA A  48
GLY A 113
LEU A  40
 None
 1.06A 4e1gA-5yhpA:
undetectable		 4e1gA-5yhpA:
21.65
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 PHE A 379
TYR A 581
GLY A 362
ALA A 363
LEU A 370
 None
 0.92A 4e1gA-6arxA:
0.0		 4e1gA-6arxA:
8.55
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.
6bja ACETYL-COA
ACETYLTRANSFERASE A

(Ascaris suum) 		no annotation 5 ASN A 342
ILE A 319
GLY A 358
ALA A 359
LEU A 365
 None
None
CSO  A  92 ( 4.4A)
None
None
 1.00A 4e1gA-6bjaA:
undetectable		 4e1gA-6bjaA:
8.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d34 TERC

(Streptomyces) 		no annotation 5 ILE A  75
GLY A  81
ALA A  62
SER A  66
GLY A  69
 None
 1.07A 4e1gA-6d34A:
undetectable		 4e1gA-6d34A:
9.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6dfz GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Acropora
millepora) 		no annotation 5 TYR A 313
ASN A 224
GLY A 211
ALA A 212
GLY A 217
 None
None
PO4  A 402 (-3.6A)
None
None
 0.99A 4e1gA-6dfzA:
undetectable		 4e1gA-6dfzA:
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 ILE A  43
GLY A  26
SER A  29
GLY A  33
LEU A 208
 None
 1.00A 4e1gA-6eu6A:
undetectable		 4e1gA-6eu6A:
8.79