SIMILAR PATTERNS OF AMINO ACIDS FOR 4E1G_B_LNLB701_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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 ARG A 644
GLY A 641
ALA A 642
SER A 166
GLY A 180
 FLC  A 756 (-4.3A)
None
FLC  A 756 (-3.0A)
FLC  A 756 (-2.6A)
None
 0.91A 4e1gB-1b0kA:
0.0		 4e1gB-1b0kA:
21.79
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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 PHE A 222
TYR A 428
GLY A 205
ALA A 206
LEU A 213
 None
 0.96A 4e1gB-1b41A:
0.0		 4e1gB-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
 1.04A 4e1gB-1b88A:
undetectable		 4e1gB-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.
1blk P55 BLK PROTEIN
TYROSINE KINASE

(Mus musculus) 		PF00017
(SH2) 		5 GLY A  48
ALA A  49
SER A  71
GLY A  76
LEU A  72
 None
 1.09A 4e1gB-1blkA:
0.0		 4e1gB-1blkA:
11.00
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.
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
 0.95A 4e1gB-1bxnI:
2.3		 4e1gB-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 ARG A 120
PHE A 205
PHE A 209
TYR A 355
ILE A 377
PHE A 381
TYR A 385
GLY A 526
ALA A 527
GLY A 533
LEU A 534
 SCL  A 700 (-3.9A)
OAS  A 530 ( 4.7A)
None
SCL  A 700 (-4.3A)
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)
 0.41A 4e1gB-1ebvA:
58.5		 4e1gB-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)
 1.32A 4e1gB-1ebvA:
58.5		 4e1gB-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.
1hr7 MITOCHONDRIAL
PROCESSING PEPTIDASE
ALPHA SUBUNIT

(Saccharomyces
cerevisiae) 		PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C) 		5 PHE A 329
ILE A 427
PHE A 428
ALA A 348
GLY A 262
 None
 1.08A 4e1gB-1hr7A:
0.0		 4e1gB-1hr7A:
20.93
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.
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 4e1gB-1jd3A:
undetectable		 4e1gB-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.
1l1p TRIGGER FACTOR

(Escherichia
coli) 		PF00254
(FKBP_C) 		5 PHE A  42
PHE A  55
ILE A  52
PHE A  74
GLY A  49
 None
 1.11A 4e1gB-1l1pA:
undetectable		 4e1gB-1l1pA:
10.78
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.
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
 1.00A 4e1gB-1o5hA:
undetectable		 4e1gB-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
 0.92A 4e1gB-1thgA:
undetectable		 4e1gB-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.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ILE A 141
GLY A 244
ALA A 243
GLY A 250
LEU A 251
 None
SO4  A 373 (-3.5A)
SO4  A 373 ( 4.2A)
None
None
 1.06A 4e1gB-1to6A:
undetectable		 4e1gB-1to6A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.98A 4e1gB-1u3hA:
undetectable		 4e1gB-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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		5 TYR A 278
ILE A  15
PHE A  12
GLY A 221
GLY A 214
 None
 1.10A 4e1gB-1u7gA:
undetectable		 4e1gB-1u7gA:
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.
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 4e1gB-1ukcA:
undetectable		 4e1gB-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
 0.87A 4e1gB-1v3tA:
undetectable		 4e1gB-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 4e1gB-1vraA:
undetectable		 4e1gB-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.
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
 1.02A 4e1gB-1zxoA:
undetectable		 4e1gB-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)
 0.99A 4e1gB-2ashA:
undetectable		 4e1gB-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
 1.03A 4e1gB-2avtA:
undetectable		 4e1gB-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
 1.04A 4e1gB-2awaA:
undetectable		 4e1gB-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
 0.87A 4e1gB-2bfeA:
undetectable		 4e1gB-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.
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
 1.06A 4e1gB-2e5vA:
undetectable		 4e1gB-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
 1.02A 4e1gB-2gk9A:
undetectable		 4e1gB-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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 TYR A 300
GLY A 347
SER A 397
GLY A 399
LEU A 398
 None
 1.09A 4e1gB-2gqdA:
undetectable		 4e1gB-2gqdA:
22.99
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.
2hoe N-ACETYLGLUCOSAMINE
KINASE

(Thermotoga
maritima) 		PF00480
(ROK) 		5 ARG A 288
ILE A 206
SER A 291
GLY A 293
LEU A 295
 None
 0.86A 4e1gB-2hoeA:
undetectable		 4e1gB-2hoeA:
21.79
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.
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
 0.49A 4e1gB-2iyfA:
undetectable		 4e1gB-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 4e1gB-2ogsA:
undetectable		 4e1gB-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
 1.07A 4e1gB-2pclA:
2.3		 4e1gB-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.
2pv7 T-PROTEIN [INCLUDES:
CHORISMATE MUTASE
(EC 5.4.99.5) (CM)
AND PREPHENATE
DEHYDROGENASE (EC
1.3.1.12) (PDH)]

(Haemophilus
influenzae) 		PF02153
(PDH) 		5 ARG A 121
PHE A 203
ILE A 207
GLY A 114
ALA A 117
 None
 1.11A 4e1gB-2pv7A:
undetectable		 4e1gB-2pv7A:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vzb PUTATIVE
BACTERIOFERRITIN-REL
ATED PROTEIN

(Bacteroides
fragilis) 		PF00210
(Ferritin) 		5 PHE A  55
GLY A  45
ALA A  46
SER A 103
LEU A 107
 None
 1.08A 4e1gB-2vzbA:
undetectable		 4e1gB-2vzbA:
13.91
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.
2yia RNA-DIRECTED RNA
POLYMERASE

(Infectious
pancreatic
necrosis virus) 		PF04197
(Birna_RdRp) 		5 ILE A 321
TYR A 106
GLY A 248
ALA A 247
SER A 246
 None
 1.10A 4e1gB-2yiaA:
2.1		 4e1gB-2yiaA:
21.72
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.
2zuk ALPHA-AMINO-EPSILON-
CAPROLACTAM RACEMASE

(Achromobacter
obae) 		PF00202
(Aminotran_3) 		5 ILE A 403
GLY A  50
ALA A  51
GLY A  55
LEU A  54
 None
 1.03A 4e1gB-2zukA:
undetectable		 4e1gB-2zukA:
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.
3abb CYTOCHROME P450
HYDROXYLASE

(Streptomyces
avermitilis) 		PF00067
(p450) 		5 ILE A 388
TYR A  24
GLY A 255
ALA A 256
LEU A 379
 None
 1.09A 4e1gB-3abbA:
1.9		 4e1gB-3abbA:
20.83
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.
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 4e1gB-3cuoA:
undetectable		 4e1gB-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.
3dh9 THIOREDOXIN
REDUCTASE 1

(Drosophila
melanogaster) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 PHE A 181
PHE A 205
GLY A 204
ALA A 203
LEU A 282
 None
 1.01A 4e1gB-3dh9A:
2.1		 4e1gB-3dh9A:
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.
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 4e1gB-3i9xA:
undetectable		 4e1gB-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.
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
 1.01A 4e1gB-3jbzA:
2.1		 4e1gB-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
 0.78A 4e1gB-3md2A:
undetectable		 4e1gB-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.
3pea ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00378
(ECH_1) 		6 ILE A 102
GLY A  62
ALA A  25
SER A  60
GLY A  54
LEU A  18
 None
 1.25A 4e1gB-3peaA:
undetectable		 4e1gB-3peaA:
18.17
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.
3pfe SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Legionella
pneumophila) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 TYR A 196
ILE A  53
GLY A 127
ALA A 128
LEU A 189
 GOL  A 522 ( 4.8A)
None
None
None
None
 1.05A 4e1gB-3pfeA:
undetectable		 4e1gB-3pfeA:
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.
3qh4 ESTERASE LIPW

(Mycobacterium
marinum) 		PF07859
(Abhydrolase_3) 		5 PHE A 210
ILE A  23
PHE A  25
ALA A 123
GLY A  90
 None
 1.09A 4e1gB-3qh4A:
undetectable		 4e1gB-3qh4A:
18.58
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.
3s5n 4-HYDROXY-2-OXOGLUTA
RATE ALDOLASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00701
(DHDPS) 		5 ILE A 205
PHE A 226
GLY A 225
ALA A 224
SER A 223
 None
 1.07A 4e1gB-3s5nA:
undetectable		 4e1gB-3s5nA:
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.
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
 0.90A 4e1gB-3u3xA:
undetectable		 4e1gB-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
 0.92A 4e1gB-3wfjA:
undetectable		 4e1gB-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
 0.99A 4e1gB-4b6lA:
undetectable		 4e1gB-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
 0.95A 4e1gB-4c2fA:
undetectable		 4e1gB-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.
4ddq DNA GYRASE SUBUNIT A

(Bacillus
subtilis) 		PF00521
(DNA_topoisoIV) 		5 ARG A 238
ILE A 224
GLY A 331
SER A 240
GLY A 229
 None
 0.88A 4e1gB-4ddqA:
0.4		 4e1gB-4ddqA:
22.40
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.
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
 0.92A 4e1gB-4f99A:
undetectable		 4e1gB-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
 1.06A 4e1gB-4hsuA:
2.1		 4e1gB-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
 0.76A 4e1gB-4iq4A:
undetectable		 4e1gB-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.
4j2f GLUTATHIONE
S-TRANSFERASE

(Ricinus
communis) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 ARG A 216
GLY A 173
ALA A 172
GLY A 166
LEU A 165
 None
 0.88A 4e1gB-4j2fA:
undetectable		 4e1gB-4j2fA:
16.47
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.
4ls5 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 TYR A 298
GLY A 345
SER A 395
GLY A 397
LEU A 396
 None
None
K  A 501 ( 4.8A)
None
None
 1.05A 4e1gB-4ls5A:
undetectable		 4e1gB-4ls5A:
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.
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 4e1gB-4oanA:
undetectable		 4e1gB-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.
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
 0.90A 4e1gB-4pclA:
undetectable		 4e1gB-4pclA:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pds SERINE/THREONINE-PRO
TEIN KINASE RAD53

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		5 ARG A 297
ILE A 325
GLY A 296
SER A 300
LEU A 304
 None
 0.90A 4e1gB-4pdsA:
undetectable		 4e1gB-4pdsA:
20.60
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 ARG A 121
PHE A 206
PHE A 210
TYR A 356
ILE A 378
PHE A 382
TYR A 386
GLY A 527
ALA A 528
SER A 531
GLY A 534
LEU A 535
 BOG  A 604 ( 3.7A)
None
EDO  A 616 (-3.5A)
IBP  A 601 (-4.5A)
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)
 0.16A 4e1gB-4ph9A:
64.9		 4e1gB-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) 		8 ARG A 121
PHE A 211
TYR A 356
ILE A 378
PHE A 382
GLY A 527
ALA A 528
SER A 531
 BOG  A 604 ( 3.7A)
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)
 1.37A 4e1gB-4ph9A:
64.9		 4e1gB-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
 1.06A 4e1gB-4qjyA:
undetectable		 4e1gB-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 4e1gB-4qwwA:
undetectable		 4e1gB-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.
4rgg PUTATIVE PHAGE
STRUCTURAL PROTEIN

(Lactococcus
phage 1358) 		no annotation 5 ARG A  29
ILE A  92
GLY A  31
GLY A  59
LEU A  22
 None
 1.10A 4e1gB-4rggA:
undetectable		 4e1gB-4rggA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rvw ZNUD

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ARG A 486
ILE A  59
GLY A  78
GLY A 130
LEU A 131
 None
 0.99A 4e1gB-4rvwA:
undetectable		 4e1gB-4rvwA:
22.25
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.
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
 1.02A 4e1gB-4tqvA:
undetectable		 4e1gB-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.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		5 GLY A 254
ALA A 255
SER A 258
GLY A 261
LEU A 262
 None
 0.90A 4e1gB-4us4A:
0.5		 4e1gB-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 4e1gB-4wzsC:
undetectable		 4e1gB-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.
4ye5 PEPTIDOGLYCAN
SYNTHETASE
PENICILLIN-BINDING
PROTEIN 3

(Bifidobacterium
adolescentis) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 PHE A 509
TYR A 506
GLY A 570
ALA A 569
GLY A 565
 None
 1.06A 4e1gB-4ye5A:
undetectable		 4e1gB-4ye5A:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.05A 4e1gB-5aogA:
1.4		 4e1gB-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.
5b2g ENDOLYSIN,CLAUDIN-4

(Escherichia
virus T4;
Homo sapiens) 		PF00822
(PMP22_Claudin)
PF00959
(Phage_lysozyme) 		5 GLY A1330
ALA A1332
SER A1334
GLY A1292
LEU A1338
 None
 1.10A 4e1gB-5b2gA:
undetectable		 4e1gB-5b2gA:
20.03
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.
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
 1.05A 4e1gB-5cadA:
undetectable		 4e1gB-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.
5cdn DNA GYRASE SUBUNIT A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV) 		5 ARG A 238
ILE A 224
GLY A 332
SER A 240
GLY A 229
 ARG  A 238 ( 0.6A)
ILE  A 224 ( 0.7A)
GLY  A 332 ( 0.0A)
SER  A 240 ( 0.0A)
GLY  A 229 ( 0.0A)
 1.07A 4e1gB-5cdnA:
undetectable		 4e1gB-5cdnA:
20.62
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.
5clw 1,4-ALPHA-GLUCAN-BRA
NCHING ENZYME

(Homo sapiens) 		PF00128
(Alpha-amylase)
PF02806
(Alpha-amylase_C)
PF02922
(CBM_48) 		5 ARG A 226
PHE A 551
PHE A 249
PHE A 538
GLY A 540
 None
 0.97A 4e1gB-5clwA:
undetectable		 4e1gB-5clwA:
21.92
Potential target for repurposing, i.e. matched protein structure has less than 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
 0.82A 4e1gB-5cqeA:
undetectable		 4e1gB-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.
5d04 PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Neisseria
meningitidis) 		PF00793
(DAHP_synth_1) 		5 ARG C 175
GLY C 203
ALA C 204
SER C 206
GLY C 227
 CL  C 402 (-2.9A)
None
None
None
None
 1.07A 4e1gB-5d04C:
undetectable		 4e1gB-5d04C:
19.80
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.
5dtp PROBABLE ENOYL-COA
HYDRATASE ECHA6

(Mycobacterium
tuberculosis) 		PF00378
(ECH_1) 		5 ILE A  93
GLY A  59
ALA A  23
GLY A  51
LEU A  15
 None
 1.09A 4e1gB-5dtpA:
undetectable		 4e1gB-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.
5h64 SERINE/THREONINE-PRO
TEIN KINASE MTOR

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF02259
(FAT)
PF02260
(FATC)
PF08771
(FRB_dom)
PF11865
(DUF3385) 		5 ILE A1636
GLY A1588
ALA A1589
SER A1592
LEU A1596
 None
 0.91A 4e1gB-5h64A:
undetectable		 4e1gB-5h64A:
12.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i45 GLYCOSYL
TRANSFERASES GROUP 1
FAMILY PROTEIN

(Francisella
tularensis) 		PF00534
(Glycos_transf_1) 		5 ILE A 170
GLY A 280
ALA A 279
SER A 255
GLY A 179
 None
 1.08A 4e1gB-5i45A:
undetectable		 4e1gB-5i45A:
16.44
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.
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 4e1gB-5ikbA:
undetectable		 4e1gB-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) 		10 ARG A 120
PHE A 205
PHE A 209
TYR A 355
ILE A 377
PHE A 381
TYR A 385
ALA A 527
SER A 530
GLY A 533
 ID8  A 601 ( 4.4A)
None
None
ID8  A 601 (-3.8A)
None
None
ID8  A 601 ( 3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
None
 0.57A 4e1gB-5ikrA:
62.5		 4e1gB-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) 		11 ARG A 120
PHE A 205
PHE A 209
TYR A 355
ILE A 377
PHE A 381
TYR A 385
GLY A 526
ALA A 527
GLY A 533
LEU A 534
 ID8  A 601 ( 4.4A)
None
None
ID8  A 601 (-3.8A)
None
None
ID8  A 601 ( 3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
None
None
 0.25A 4e1gB-5ikrA:
62.5		 4e1gB-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) 		7 ARG A 120
PHE A 210
TYR A 355
ILE A 377
PHE A 381
GLY A 526
ALA A 527
 ID8  A 601 ( 4.4A)
COH  A 602 (-4.0A)
ID8  A 601 (-3.8A)
None
None
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
 1.41A 4e1gB-5ikrA:
62.5		 4e1gB-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
 1.05A 4e1gB-5iw1A:
undetectable		 4e1gB-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.
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
 0.98A 4e1gB-5kufA:
undetectable		 4e1gB-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.
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
 1.08A 4e1gB-5lj9A:
2.4		 4e1gB-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 4e1gB-5lq4A:
undetectable		 4e1gB-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
 0.94A 4e1gB-5oonA:
undetectable		 4e1gB-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.
5u2n NICOTINAMIDE
PHOSPHORIBOSYLTRANSF
ERASE

(Homo sapiens) 		PF04095
(NAPRTase) 		5 TYR A  36
ILE A 206
SER A 155
GLY A  61
LEU A  62
 None
 1.10A 4e1gB-5u2nA:
undetectable		 4e1gB-5u2nA:
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.
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)
 0.99A 4e1gB-5u4nA:
0.8		 4e1gB-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.
5vf5 SM80.1 VICILIN

(Solanum
melongena) 		no annotation 5 PHE A 162
ILE A 169
PHE A 173
GLY A 142
ALA A 141
 None
 1.10A 4e1gB-5vf5A:
undetectable		 4e1gB-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.
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
 1.04A 4e1gB-5vf5A:
undetectable		 4e1gB-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.
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
 0.91A 4e1gB-5w1uA:
undetectable		 4e1gB-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.
5xeq NEUROLIGIN-2

(Homo sapiens) 		PF00135
(COesterase) 		5 ILE A 380
GLY A 265
ALA A 266
SER A 269
LEU A 273
 None
 1.02A 4e1gB-5xeqA:
undetectable		 4e1gB-5xeqA:
21.47
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.
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
 1.07A 4e1gB-5yhpA:
undetectable		 4e1gB-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.
5yll BETA-1,4-MANNANASE

(Amphibacillus
xylanus) 		no annotation 5 ARG B 309
ILE B  83
GLY B 268
GLY B   6
LEU B 272
 None
 1.10A 4e1gB-5yllB:
undetectable		 4e1gB-5yllB:
8.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 PHE A 379
TYR A 581
GLY A 362
ALA A 363
LEU A 370
 None
 0.91A 4e1gB-6arxA:
undetectable		 4e1gB-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.
6c0e ISOCITRATE
DEHYDROGENASE

(Legionella
pneumophila) 		no annotation 5 PHE A 414
PHE A 399
GLY A 324
GLY A 360
LEU A 364
 None
 1.10A 4e1gB-6c0eA:
undetectable		 4e1gB-6c0eA:
9.25
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.
6d34 TERC

(Streptomyces) 		no annotation 5 ILE A  75
GLY A  81
ALA A  62
SER A  66
GLY A  69
 None
 1.07A 4e1gB-6d34A:
undetectable		 4e1gB-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.
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
 1.04A 4e1gB-6eu6A:
0.7		 4e1gB-6eu6A:
8.79
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.
6eu6 AMMONIUM TRANSPORTER

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 ILE A 323
GLY A 330
ALA A 167
SER A 172
GLY A 174
 None
 1.09A 4e1gB-6eu6A:
0.7		 4e1gB-6eu6A:
8.79
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.
6fks -

(-) 		no annotation 5 PHE A 130
ILE A 127
GLY A 242
GLY A 245
LEU A 138
 None
 1.07A 4e1gB-6fksA:
undetectable		 4e1gB-6fksA:
undetectable