SIMILAR PATTERNS OF AMINO ACIDS FOR 4NKX_B_STRB601

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.
1amo NADPH-CYTOCHROME
P450 REDUCTASE

(Rattus
norvegicus) 		PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1) 		5 ALA A 112
ASN A  79
ILE A 128
GLY A 109
THR A  76
 None
 0.92A 4nkxB-1amoA:
0.0		 4nkxB-1amoA:
21.06
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.
1b1c PROTEIN
(NADPH-CYTOCHROME
P450 REDUCTASE)

(Homo sapiens) 		PF00258
(Flavodoxin_1) 		5 ALA A  52
ASN A  19
ILE A  68
GLY A  49
THR A  16
 None
 0.91A 4nkxB-1b1cA:
undetectable		 4nkxB-1b1cA:
18.52
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.
1b3b PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermotoga
maritima) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ALA A 196
ALA A 224
ALA A 213
ILE A 288
VAL A 236
 None
 0.94A 4nkxB-1b3bA:
0.0		 4nkxB-1b3bA:
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.
1b3n PROTEIN (KETOACYL
ACYL CARRIER PROTEIN
SYNTHASE 2)

(Escherichia
coli) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A 231
ALA A 207
PHE A 229
ILE A 108
GLY A 201
 None
None
None
CER  A 413 (-3.3A)
None
 0.94A 4nkxB-1b3nA:
undetectable		 4nkxB-1b3nA:
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.
1by8 PROTEIN
(PROCATHEPSIN K)

(Homo sapiens) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		6 ALA A 223
ILE A 279
GLY A 267
ALA A 306
ILE A 212
VAL A 232
 None
 1.25A 4nkxB-1by8A:
0.0		 4nkxB-1by8A:
19.36
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.
1ebd DIHYDROLIPOAMIDE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		6 ALA A 429
ILE A 376
GLY A 411
ALA A 412
ALA A 456
ILE A 439
 None
 1.36A 4nkxB-1ebdA:
0.0		 4nkxB-1ebdA:
21.86
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.
1fhe GLUTATHIONE
TRANSFERASE

(Fasciola
hepatica) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		6 LEU A 136
PHE A 178
ILE A  94
GLY A 144
ILE A 182
VAL A 150
 None
 1.31A 4nkxB-1fheA:
0.0		 4nkxB-1fheA:
19.72
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.
1gz2 OVOCLEIDIN-17

(Gallus gallus) 		PF00059
(Lectin_C) 		6 LEU A  17
ILE A  77
ALA A  55
THR A 123
ALA A  48
VAL A  45
 None
 1.39A 4nkxB-1gz2A:
0.0		 4nkxB-1gz2A:
13.99
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.
1k77 HYPOTHETICAL PROTEIN
YGBM

(Escherichia
coli) 		PF01261
(AP_endonuc_2) 		6 LEU A 145
PHE A 155
GLY A 107
ALA A  75
ILE A 164
VAL A 104
 FMT  A 304 ( 4.7A)
None
None
None
None
None
 1.36A 4nkxB-1k77A:
0.0		 4nkxB-1k77A:
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.
1luj CATENIN BETA-1

(Homo sapiens) 		PF00514
(Arm) 		6 LEU A 218
ILE A 188
ALA A 197
THR A 157
ALA A 171
VAL A 175
 None
 1.37A 4nkxB-1lujA:
undetectable		 4nkxB-1lujA:
23.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1nr6 CYTOCHROME P450 2C5

(Oryctolagus
cuniculus) 		PF00067
(p450) 		6 LEU A 103
ALA A 113
PHE A 114
GLY A 293
ALA A 294
THR A 298
 DIF  A 501 (-3.9A)
DIF  A 501 (-3.6A)
DIF  A 501 (-4.5A)
DIF  A 501 (-3.8A)
DIF  A 501 ( 3.3A)
HEM  A 500 ( 3.6A)
 1.12A 4nkxB-1nr6A:
44.1		 4nkxB-1nr6A:
32.81
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.
1nt2 CONSERVED
HYPOTHETICAL PROTEIN

(Archaeoglobus
fulgidus) 		PF01798
(Nop) 		5 LEU B 238
ALA B 150
ILE B 212
GLY B 158
ALA B 159
 None
 0.90A 4nkxB-1nt2B:
undetectable		 4nkxB-1nt2B:
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.
1o9j ALDEHYDE
DEHYDROGENASE,
CYTOSOLIC 1

(Elephantulus
edwardii) 		PF00171
(Aldedh) 		6 LEU A 335
ALA A 117
ASN A  41
GLY A 111
ALA A 110
THR A 197
 None
 1.24A 4nkxB-1o9jA:
undetectable		 4nkxB-1o9jA:
21.48
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.
1p74 SHIKIMATE
5-DEHYDROGENASE

(Haemophilus
influenzae) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		6 ASN A 186
GLY A 126
ALA A 127
THR A 131
ILE A 168
VAL A 134
 None
 1.44A 4nkxB-1p74A:
undetectable		 4nkxB-1p74A:
21.17
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.
1p9e METHYL PARATHION
HYDROLASE

(Pseudomonas sp.
WBC-3) 		PF00753
(Lactamase_B) 		5 ALA A 163
PHE A 164
GLY A 154
ALA A 116
ALA A 128
 None
 0.96A 4nkxB-1p9eA:
undetectable		 4nkxB-1p9eA:
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.
1pff METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A  81
ILE A 240
GLY A  88
ALA A  89
ILE A 229
 None
 0.93A 4nkxB-1pffA:
undetectable		 4nkxB-1pffA:
19.72
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.
1pff METHIONINE
GAMMA-LYASE

(Trichomonas
vaginalis) 		PF01053
(Cys_Met_Meta_PP) 		5 ALA A 243
ILE A 202
ALA A  91
VAL A 222
VAL A 204
 None
 0.95A 4nkxB-1pffA:
undetectable		 4nkxB-1pffA:
19.72
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.
1py5 TGF-BETA RECEPTOR
TYPE I

(Homo sapiens) 		PF00069
(Pkinase)
PF08515
(TGF_beta_GS) 		6 LEU A 492
ALA A 485
ILE A 411
ALA A 403
ILE A 401
VAL A 407
 None
 1.06A 4nkxB-1py5A:
undetectable		 4nkxB-1py5A:
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.
1qmn ALPHA-1-ANTICHYMOTRY
PSIN

(Homo sapiens) 		PF00079
(Serpin) 		5 ILE A 169
GLY A  67
ALA A  68
ILE A 308
VAL A 329
 None
 0.88A 4nkxB-1qmnA:
undetectable		 4nkxB-1qmnA:
21.77
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.
1qys TOP7

(-) 		no annotation 5 ILE A  79
ALA A  65
ILE A  52
VAL A  90
VAL A  81
 None
 0.87A 4nkxB-1qysA:
undetectable		 4nkxB-1qysA:
11.85
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.
1rh1 COLICIN B

(Escherichia
coli) 		PF01024
(Colicin)
PF03515
(Cloacin) 		5 LEU A 461
ILE A 329
GLY A 494
ALA A 492
ILE A 427
 None
 0.94A 4nkxB-1rh1A:
undetectable		 4nkxB-1rh1A:
21.09
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.
1rp3 ANTI SIGMA FACTOR
FLGM
RNA POLYMERASE SIGMA
FACTOR SIGMA-28
(FLIA)

(Aquifex
aeolicus) 		PF04316
(FlgM)
PF04539
(Sigma70_r3)
PF04542
(Sigma70_r2)
PF04545
(Sigma70_r4) 		6 LEU A 144
PHE A 148
ILE A 193
ALA A 181
ILE B  84
VAL B  79
 None
 1.28A 4nkxB-1rp3A:
undetectable		 4nkxB-1rp3A:
20.42
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.
1rpm RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
MU

(Homo sapiens) 		PF00102
(Y_phosphatase) 		6 ALA A 970
ILE A1147
GLY A1100
ALA A1099
ILE A 959
VAL A1127
 None
 1.08A 4nkxB-1rpmA:
undetectable		 4nkxB-1rpmA:
19.71
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.
1t5j HYPOTHETICAL PROTEIN
MJ1187

(Methanocaldococcus
jannaschii) 		PF03747
(ADP_ribosyl_GH) 		5 LEU A  73
ALA A 299
ILE A 128
ALA A 267
ILE A   8
 None
 0.93A 4nkxB-1t5jA:
undetectable		 4nkxB-1t5jA:
22.57
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.
1tcs TRICHOSANTHIN

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		6 LEU A 215
ASN A 236
ILE A 237
GLY A 231
ALA A 230
ALA A 202
 None
 1.45A 4nkxB-1tcsA:
undetectable		 4nkxB-1tcsA:
19.18
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.
1tii HEAT LABILE
ENTEROTOXIN TYPE IIB

(Escherichia
coli) 		PF01375
(Enterotoxin_a) 		6 ILE A 122
GLY A 116
ALA A 113
THR A  60
ALA A  88
VAL A  86
 None
 1.44A 4nkxB-1tiiA:
undetectable		 4nkxB-1tiiA:
16.85
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.
1tii HEAT LABILE
ENTEROTOXIN TYPE IIB

(Escherichia
coli) 		PF01375
(Enterotoxin_a) 		6 PHE C 212
GLY A 116
ALA A 113
THR A  60
ALA A  88
VAL A  86
 None
 1.48A 4nkxB-1tiiC:
undetectable		 4nkxB-1tiiC:
9.47
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.
1ujo TRANSGELIN

(Mus musculus) 		PF00307
(CH) 		5 LEU A  49
ALA A  85
PHE A  81
GLY A 118
ALA A 116
 None
 0.88A 4nkxB-1ujoA:
undetectable		 4nkxB-1ujoA:
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.
1v9l GLUTAMATE
DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 192
ALA A 194
THR A 197
ILE A 215
VAL A 318
 None
 0.91A 4nkxB-1v9lA:
undetectable		 4nkxB-1v9lA:
23.37
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.
1vrd INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Thermotoga
maritima) 		PF00478
(IMPDH)
PF00571
(CBS) 		6 LEU A 314
PHE A   7
GLY A 350
ALA A 351
ILE A 337
VAL A 293
 None
 1.28A 4nkxB-1vrdA:
undetectable		 4nkxB-1vrdA:
23.60
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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 ALA A  70
ASN A 709
ILE A 713
GLY A 685
THR A  82
 None
 0.95A 4nkxB-1w6jA:
undetectable		 4nkxB-1w6jA:
21.08
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.
1wb0 CHITOTRIOSIDASE 1

(Homo sapiens) 		PF00704
(Glyco_hydro_18) 		5 LEU A 180
ALA A 165
PHE A 166
ILE A  96
ILE A 124
 None
 0.80A 4nkxB-1wb0A:
undetectable		 4nkxB-1wb0A:
22.28
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.
1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE

(Pyrococcus
furiosus) 		PF02581
(TMP-TENI) 		5 LEU A   7
ILE A 155
GLY A 125
ALA A 126
VAL A 153
 None
 0.95A 4nkxB-1xi3A:
undetectable		 4nkxB-1xi3A:
19.83
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.
1y7w HALOTOLERANT
ALPHA-TYPE CARBONIC
ANHYDRASE (DCA II)

(Dunaliella
salina) 		PF00194
(Carb_anhydrase) 		6 LEU A 168
PHE A 167
ILE A 175
ALA A  78
ILE A 196
VAL A  80
 None
 1.46A 4nkxB-1y7wA:
undetectable		 4nkxB-1y7wA:
20.11
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.
1zor ISOCITRATE
DEHYDROGENASE

(Thermotoga
maritima) 		PF00180
(Iso_dh) 		5 ILE A 276
GLY A 131
ALA A 263
ALA A 249
ILE A 246
 None
 0.94A 4nkxB-1zorA:
undetectable		 4nkxB-1zorA:
22.72
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.
1zr6 GLUCOOLIGOSACCHARIDE
OXIDASE

(Sarocladium
strictum) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A  86
ALA A  39
GLY A  56
ALA A   8
VAL A  12
 None
 0.86A 4nkxB-1zr6A:
undetectable		 4nkxB-1zr6A:
22.53
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.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 ILE A  79
GLY A  37
ALA A  36
THR A  69
VAL A  33
 None
 0.96A 4nkxB-2ahwA:
undetectable		 4nkxB-2ahwA:
23.71
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.
2apo PROBABLE TRNA
PSEUDOURIDINE
SYNTHASE B

(Methanocaldococcus
jannaschii) 		PF01472
(PUA)
PF01509
(TruB_N)
PF08068
(DKCLD)
PF16198
(TruB_C_2) 		5 LEU A 159
PHE A 128
ALA A 119
ALA A 194
ILE A 186
 None
 0.92A 4nkxB-2apoA:
undetectable		 4nkxB-2apoA:
19.88
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.
2as0 HYPOTHETICAL PROTEIN
PH1915

(Pyrococcus
horikoshii) 		PF01472
(PUA)
PF10672
(Methyltrans_SAM) 		5 ALA A 276
PHE A 225
GLY A 321
ALA A 320
ALA A 313
 None
 0.94A 4nkxB-2as0A:
undetectable		 4nkxB-2as0A:
21.44
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.
2b4m GLYCINE
BETAINE-BINDING
PROTEIN

(Bacillus
subtilis) 		PF04069
(OpuAC) 		5 LEU A  45
ALA A  34
ILE A  69
ILE A 267
VAL A 256
 None
 0.79A 4nkxB-2b4mA:
undetectable		 4nkxB-2b4mA:
17.51
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.
2bd0 SEPIAPTERIN
REDUCTASE

(Chlorobaculum
tepidum) 		PF00106
(adh_short) 		6 ALA A  26
PHE A  32
ILE A   4
ALA A  58
THR A  60
ALA A  19
 None
 1.43A 4nkxB-2bd0A:
undetectable		 4nkxB-2bd0A:
21.15
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.
2c7s RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE KAPPA

(Homo sapiens) 		PF00102
(Y_phosphatase) 		6 ALA A 958
ILE A1135
GLY A1088
ALA A1117
ILE A 947
VAL A1115
 None
None
ACT  A2156 (-3.6A)
None
None
None
 1.12A 4nkxB-2c7sA:
undetectable		 4nkxB-2c7sA:
20.12
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.
2cq0 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT 4

(Homo sapiens) 		PF00076
(RRM_1) 		5 LEU A 258
ALA A 296
PHE A 259
ILE A 241
VAL A 243
 None
 0.93A 4nkxB-2cq0A:
undetectable		 4nkxB-2cq0A:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4e 5-CARBOXYMETHYL-2-HY
DROXYMUCONATE
SEMIALDEHYDE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00171
(Aldedh) 		5 ALA A 329
PHE A 298
ILE A 410
GLY A 374
ALA A 417
 None
 0.95A 4nkxB-2d4eA:
undetectable		 4nkxB-2d4eA:
21.40
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.
2daz INAD-LIKE PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		6 LEU A 105
ALA A  92
GLY A  39
ALA A  43
ILE A  53
VAL A  55
 None
 1.24A 4nkxB-2dazA:
undetectable		 4nkxB-2dazA:
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.
2daz INAD-LIKE PROTEIN

(Homo sapiens) 		PF00595
(PDZ) 		6 LEU A 105
ALA A  92
ILE A  58
ALA A  43
ILE A  53
VAL A  55
 None
 1.15A 4nkxB-2dazA:
undetectable		 4nkxB-2dazA:
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.
2dvm 439AA LONG
HYPOTHETICAL MALATE
OXIDOREDUCTASE

(Pyrococcus
horikoshii) 		PF00390
(malic)
PF03949
(Malic_M) 		6 ALA A 200
ILE A 326
ALA A 356
ILE A 204
VAL A 169
VAL A 168
 None
NAD  A2503 ( 4.8A)
None
None
None
None
 1.46A 4nkxB-2dvmA:
undetectable		 4nkxB-2dvmA:
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.
2e1m L-GLUTAMATE OXIDASE

(Streptomyces
sp. X-119-6) 		PF01593
(Amino_oxidase) 		5 ALA A  73
ILE B 405
GLY C 644
ALA C 643
ALA B 401
 None
FAD  A 801 (-3.2A)
FAD  A 801 (-3.0A)
None
None
 0.96A 4nkxB-2e1mA:
undetectable		 4nkxB-2e1mA:
22.57
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.
2e7j SEP-TRNA:CYS-TRNA
SYNTHASE

(Archaeoglobus
fulgidus) 		PF05889
(SepSecS) 		5 ASN A  11
ILE A  10
GLY A 335
ILE A 366
VAL A 359
 None
 0.85A 4nkxB-2e7jA:
undetectable		 4nkxB-2e7jA:
20.28
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.
2fhe GLUTATHIONE
S-TRANSFERASE

(Fasciola
hepatica) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		6 LEU A 136
PHE A 178
ILE A  94
GLY A 144
ILE A 182
VAL A 150
 None
 1.42A 4nkxB-2fheA:
undetectable		 4nkxB-2fheA:
18.46
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.
2gqd 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Staphylococcus
aureus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		6 ALA A 345
ILE A 188
GLY A  13
ALA A  82
ALA A 144
VAL A 148
 None
 1.40A 4nkxB-2gqdA:
undetectable		 4nkxB-2gqdA:
21.61
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.
2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE

(Thermus
caldophilus) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 LEU A 155
GLY A 110
ALA A 111
VAL A 130
VAL A 164
 None
FAD  A 601 (-3.5A)
FAD  A 601 (-4.1A)
None
None
 0.92A 4nkxB-2gqtA:
undetectable		 4nkxB-2gqtA:
21.30
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.
2gqt UDP-N-ACETYLENOLPYRU
VYLGLUCOSAMINE
REDUCTASE

(Thermus
caldophilus) 		PF01565
(FAD_binding_4)
PF02873
(MurB_C) 		5 PHE A 148
GLY A 110
ALA A 111
VAL A 130
VAL A 164
 None
FAD  A 601 (-3.5A)
FAD  A 601 (-4.1A)
None
None
 0.88A 4nkxB-2gqtA:
undetectable		 4nkxB-2gqtA:
21.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2hi4 CYTOCHROME P450 1A2

(Homo sapiens) 		PF00067
(p450) 		5 PHE A 125
GLY A 316
ALA A 317
THR A 321
ILE A 386
 None
BHF  A 800 (-3.8A)
HEM  A 900 ( 3.5A)
HEM  A 900 ( 3.1A)
HEM  A 900 (-4.0A)
 0.43A 4nkxB-2hi4A:
41.4		 4nkxB-2hi4A:
32.31
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.
2i5b PHOSPHOMETHYLPYRIMID
INE KINASE

(Bacillus
subtilis) 		PF08543
(Phos_pyr_kin) 		5 LEU A 127
ALA A  92
GLY A  81
ILE A  96
VAL A 105
 None
 0.88A 4nkxB-2i5bA:
undetectable		 4nkxB-2i5bA:
19.19
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.
2iae SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
56 KDA REGULATORY
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF01603
(B56) 		5 LEU B 327
ALA B 332
ILE B 355
ALA B 346
ALA B 393
 None
 0.91A 4nkxB-2iaeB:
undetectable		 4nkxB-2iaeB:
21.71
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.
2ic7 MALTOSE
TRANSACETYLASE

(Geobacillus
kaustophilus) 		PF00132
(Hexapep)
PF12464
(Mac)
PF14602
(Hexapep_2) 		6 ALA A 143
GLY A 175
ALA A 178
ALA A 155
ILE A 139
VAL A 172
 None
 1.34A 4nkxB-2ic7A:
undetectable		 4nkxB-2ic7A:
16.08
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.
2icy PROBABLE
UTP-GLUCOSE-1-PHOSPH
ATE
URIDYLYLTRANSFERASE
2

(Arabidopsis
thaliana) 		PF01704
(UDPGP) 		5 ASN A 295
GLY A 337
ALA A 338
ALA A 273
ILE A 317
 UPG  A 901 (-3.0A)
None
None
None
None
 0.94A 4nkxB-2icyA:
undetectable		 4nkxB-2icyA:
23.96
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.
2ig8 HYPOTHETICAL PROTEIN
PA3499

(Pseudomonas
aeruginosa) 		PF01042
(Ribonuc_L-PSP) 		5 LEU A  61
GLY A  95
ALA A  93
VAL A 126
VAL A  85
 None
 0.94A 4nkxB-2ig8A:
undetectable		 4nkxB-2ig8A:
14.20
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.
2ijz PROBABLE M18-FAMILY
AMINOPEPTIDASE 2

(Pseudomonas
aeruginosa) 		PF02127
(Peptidase_M18) 		6 LEU A 355
GLY A 420
ALA A 306
ILE A 393
VAL A 304
VAL A  79
 None
 1.18A 4nkxB-2ijzA:
undetectable		 4nkxB-2ijzA:
22.29
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.
2k1s INNER MEMBRANE
LIPOPROTEIN YIAD

(Escherichia
coli) 		PF00691
(OmpA) 		5 ALA A  43
PHE A  38
ILE A 136
THR A 110
VAL A 134
 None
 0.93A 4nkxB-2k1sA:
undetectable		 4nkxB-2k1sA:
15.40
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.
2mdt PUTATIVE
UNCHARACTERIZED
PROTEIN

(Sulfolobus
solfataricus) 		no annotation 6 ALA A   9
GLY A  31
ALA A   3
ILE A  16
VAL A  50
VAL A  26
 None
 1.32A 4nkxB-2mdtA:
undetectable		 4nkxB-2mdtA:
14.37
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.
2mp8 NKR-5-3B

(Enterococcus
faecalis) 		PF09221
(Bacteriocin_IId) 		6 LEU A   5
ILE A  19
GLY A  44
ALA A  43
ALA A  30
VAL A  32
 None
 1.22A 4nkxB-2mp8A:
undetectable		 4nkxB-2mp8A:
9.17
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.
2ob1 LEUCINE CARBOXYL
METHYLTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF04072
(LCM) 		5 PHE A 223
ILE A 127
ALA A 123
VAL A 102
VAL A 125
 None
 0.92A 4nkxB-2ob1A:
undetectable		 4nkxB-2ob1A:
22.29
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.
2po2 PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Pyrococcus
abyssi) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU B 106
ASN B 148
ALA B  50
VAL B  59
VAL B  52
 None
 0.91A 4nkxB-2po2B:
undetectable		 4nkxB-2po2B:
21.41
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.
2q7n LEUKEMIA INHIBITORY
FACTOR RECEPTOR

(Mus musculus) 		PF00041
(fn3) 		5 ALA A  98
ILE A 126
ILE A 196
VAL A 170
VAL A 128
 None
 0.86A 4nkxB-2q7nA:
undetectable		 4nkxB-2q7nA:
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.
2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Novosphingobium
aromaticivorans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 263
GLY A 288
ALA A 289
ALA A 270
ILE A 282
 None
 0.92A 4nkxB-2qjjA:
undetectable		 4nkxB-2qjjA:
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.
2v84 SPERMIDINE/PUTRESCIN
E ABC TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN

(Treponema
pallidum) 		PF13416
(SBP_bac_8) 		5 ALA A 114
GLY A 153
ALA A 154
ILE A 229
VAL A 233
 None
 0.91A 4nkxB-2v84A:
undetectable		 4nkxB-2v84A:
20.40
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.
2vca ALPHA-N-ACETYLGLUCOS
AMINIDASE

(Clostridium
perfringens) 		PF00754
(F5_F8_type_C)
PF05089
(NAGLU)
PF12971
(NAGLU_N)
PF12972
(NAGLU_C) 		6 LEU A 718
PHE A 717
GLY A 892
ALA A 705
ALA A 647
ILE A 644
 None
 1.41A 4nkxB-2vcaA:
undetectable		 4nkxB-2vcaA:
19.30
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 ALA A 571
ILE A 754
ALA A 620
ALA A 626
ILE A 589
 None
 0.92A 4nkxB-2vdcA:
undetectable		 4nkxB-2vdcA:
16.07
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.
2w5z HISTONE-LYSINE
N-METHYLTRANSFERASE
HRX

(Homo sapiens) 		PF00856
(SET) 		5 ALA A3902
ILE A3887
GLY A3860
ALA A3859
ILE A3928
 None
 0.86A 4nkxB-2w5zA:
undetectable		 4nkxB-2w5zA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w8q SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		6 ILE A 211
GLY A 216
ALA A 218
ALA A 199
VAL A 227
VAL A 200
 None
 1.27A 4nkxB-2w8qA:
undetectable		 4nkxB-2w8qA:
20.43
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.
2wge 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A  94
ALA A  21
ILE A 248
GLY A 196
ALA A 352
 None
 0.96A 4nkxB-2wgeA:
undetectable		 4nkxB-2wgeA:
20.82
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.
2wrt GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME 51

(Fasciola
hepatica) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		6 LEU A 137
PHE A 179
ILE A  95
GLY A 145
ILE A 183
VAL A 151
 None
 1.47A 4nkxB-2wrtA:
undetectable		 4nkxB-2wrtA:
18.62
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.
2ww9 PROTEIN TRANSPORT
PROTEIN SSS1
SEC SIXTY-ONE
PROTEIN HOMOLOG

(Saccharomyces
cerevisiae) 		PF00344
(SecY)
PF00584
(SecE)
PF10559
(Plug_translocon) 		5 ALA A  46
ASN A 185
GLY A  73
ALA A 195
ILE B  68
 None
 0.90A 4nkxB-2ww9A:
undetectable		 4nkxB-2ww9A:
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.
2z6g B-CATENIN

(Danio rerio) 		PF00514
(Arm) 		6 LEU A 217
ILE A 187
ALA A 196
THR A 156
ALA A 170
VAL A 174
 None
 1.40A 4nkxB-2z6gA:
undetectable		 4nkxB-2z6gA:
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.
2zle PROTEASE DO

(Escherichia
coli) 		PF00595
(PDZ)
PF13365
(Trypsin_2) 		5 ILE A 197
GLY A 167
ALA A 168
ILE A  56
VAL A 202
 None
 0.95A 4nkxB-2zleA:
undetectable		 4nkxB-2zleA:
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.
2zoa PHOSPHOHYDROLASE

(Klebsiella
aerogenes) 		PF00149
(Metallophos) 		6 LEU A  74
ALA A  63
THR A 215
ILE A  66
VAL A  32
VAL A  31
 None
 1.33A 4nkxB-2zoaA:
undetectable		 4nkxB-2zoaA:
18.43
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.
3amj ZINC PEPTIDASE
ACTIVE SUBUNIT

(Sphingomonas
sp. A1) 		no annotation 6 LEU C 126
ALA C 233
GLY C 131
ALA C 134
ALA C 216
VAL C  59
 None
 1.32A 4nkxB-3amjC:
undetectable		 4nkxB-3amjC:
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.
3bkh LYTIC
TRANSGLYCOSYLASE

(Pseudomonas
virus phiKZ) 		PF01464
(SLT)
PF01471
(PG_binding_1) 		5 ALA A 112
PHE A 133
ILE A  78
ALA A  90
VAL A  97
 None
 0.82A 4nkxB-3bkhA:
undetectable		 4nkxB-3bkhA:
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.
3c4n UNCHARACTERIZED
PROTEIN DR_0571

(Deinococcus
radiodurans) 		PF01266
(DAO) 		5 LEU A 189
ALA A 179
ASN A 192
GLY A  71
ALA A 231
 None
 0.96A 4nkxB-3c4nA:
undetectable		 4nkxB-3c4nA:
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.
3cj8 2,3,4,5-TETRAHYDROPY
RIDINE-2,6-DICARBOXY
LATE
N-ACETYLTRANSFERASE

(Enterococcus
faecalis) 		PF00132
(Hexapep)
PF08503
(DapH_N)
PF14602
(Hexapep_2) 		6 ALA A 175
GLY A 207
ALA A 210
ALA A 187
ILE A 171
VAL A 204
 None
FMT  A 311 ( 4.4A)
None
None
None
None
 1.33A 4nkxB-3cj8A:
undetectable		 4nkxB-3cj8A:
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.
3e3a POSSIBLE PEROXIDASE
BPOC

(Mycobacterium
tuberculosis) 		PF12697
(Abhydrolase_6) 		6 ALA A 100
ILE A  18
ALA A  70
ALA A  81
VAL A  83
VAL A  16
 None
 1.22A 4nkxB-3e3aA:
undetectable		 4nkxB-3e3aA:
21.29
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.
3f11 IRON TRANSPORT
PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		6 ALA A 110
ILE A 296
GLY A 279
ALA A  96
ILE A 115
VAL A  98
 None
 1.13A 4nkxB-3f11A:
undetectable		 4nkxB-3f11A:
20.87
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.
3f11 IRON TRANSPORT
PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		6 ALA A 110
PHE A 116
ILE A 296
GLY A 279
ALA A  96
ILE A 115
 None
 1.47A 4nkxB-3f11A:
undetectable		 4nkxB-3f11A:
20.87
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.
3fsc QDTC

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00132
(Hexapep) 		6 ALA A 180
ILE A 221
GLY A 215
ALA A 201
ALA A 195
VAL A 212
 COA  A 300 (-3.3A)
None
COA  A 300 ( 4.2A)
None
None
None
 1.46A 4nkxB-3fscA:
undetectable		 4nkxB-3fscA:
20.52
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.
3g74 PROTEIN OF UNKNOWN
FUNCTION

(Eubacterium
ventriosum) 		PF12164
(SporV_AA) 		5 ILE A  15
GLY A  23
ALA A  26
VAL A  85
VAL A  13
 None
 0.95A 4nkxB-3g74A:
undetectable		 4nkxB-3g74A:
13.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gcw PROPROTEIN
CONVERTASE
SUBTILISIN/KEXIN
TYPE 9

(Homo sapiens) 		PF00082
(Peptidase_S8) 		5 ALA A 442
GLY A 365
ALA A 388
ILE A 395
VAL A 233
 None
 0.94A 4nkxB-3gcwA:
undetectable		 4nkxB-3gcwA:
21.33
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.
3gwb PEPTIDASE M16
INACTIVE DOMAIN
FAMILY PROTEIN

(Pseudomonas
protegens) 		PF05193
(Peptidase_M16_C) 		5 PHE A 377
ILE A 230
GLY A  45
ALA A  44
ALA A 226
 None
 0.92A 4nkxB-3gwbA:
undetectable		 4nkxB-3gwbA:
22.37
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.
3h2s PUTATIVE NADH-FLAVIN
REDUCTASE

(Lactobacillus
paracasei) 		PF13460
(NAD_binding_10) 		5 ILE A   3
ALA A  15
ILE A 103
VAL A  67
VAL A   5
 None
None
NDP  A 301 (-3.7A)
None
None
 0.87A 4nkxB-3h2sA:
undetectable		 4nkxB-3h2sA:
20.32
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.
3h7a SHORT CHAIN
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00106
(adh_short) 		5 ILE A  86
GLY A  18
ALA A  19
ALA A  26
ILE A  56
 ILE  A  86 ( 0.6A)
GLY  A  18 ( 0.0A)
ALA  A  19 ( 0.0A)
ALA  A  26 ( 0.0A)
ILE  A  56 ( 0.7A)
 0.95A 4nkxB-3h7aA:
undetectable		 4nkxB-3h7aA:
20.63
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.
3hjw 50S RIBOSOMAL
PROTEIN L7AE

(Pyrococcus
furiosus) 		PF01248
(Ribosomal_L7Ae) 		5 LEU C  67
ILE C  63
GLY C  36
ALA C  97
VAL C  58
 None
U  D  30 ( 4.1A)
G  D  31 ( 3.3A)
A  D  29 ( 3.4A)
U  D  30 ( 3.6A)
 0.95A 4nkxB-3hjwC:
undetectable		 4nkxB-3hjwC:
12.58
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.
3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT

(Eubacterium
barkeri) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		5 LEU C 163
GLY C 113
ALA C 133
VAL C 135
VAL C 172
 FAD  C 900 ( 4.7A)
FAD  C 900 (-3.3A)
None
None
None
 0.89A 4nkxB-3hrdC:
undetectable		 4nkxB-3hrdC:
20.04
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.
3iv6 PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		no annotation 5 LEU A 202
ALA A 189
GLY A 183
ALA A 182
ILE A 152
 None
 0.89A 4nkxB-3iv6A:
undetectable		 4nkxB-3iv6A:
21.43
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.
3l4e UNCHARACTERIZED
PEPTIDASE LMO0363

(Listeria
monocytogenes) 		PF03575
(Peptidase_S51) 		6 LEU A  24
PHE A  17
ALA A  51
ILE A 116
VAL A  29
VAL A  59
 None
 1.40A 4nkxB-3l4eA:
undetectable		 4nkxB-3l4eA:
17.21
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.
3l7z PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Sulfolobus
solfataricus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU A 110
ASN A 152
ALA A  54
VAL A  63
VAL A  56
 None
 0.86A 4nkxB-3l7zA:
undetectable		 4nkxB-3l7zA:
22.29
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.
3lg0 ORNITHINE
AMINOTRANSFERASE

(Plasmodium
falciparum) 		PF00202
(Aminotran_3) 		6 LEU A 307
PHE A 101
ASN A  59
GLY A 240
THR A 237
ALA A 232
 None
 1.48A 4nkxB-3lg0A:
undetectable		 4nkxB-3lg0A:
22.16
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.
3m4u TYROSINE SPECIFIC
PROTEIN PHOSPHATASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00102
(Y_phosphatase) 		6 LEU A 239
ALA A  94
ILE A 283
GLY A 234
ILE A  84
VAL A 263
 None
None
None
PO4  A 307 (-3.7A)
None
None
 1.24A 4nkxB-3m4uA:
undetectable		 4nkxB-3m4uA:
22.52
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.
3m4u TYROSINE SPECIFIC
PROTEIN PHOSPHATASE,
PUTATIVE

(Trypanosoma
brucei) 		PF00102
(Y_phosphatase) 		6 LEU A 239
ILE A 283
GLY A 234
ALA A 265
ILE A  84
VAL A 263
 None
None
PO4  A 307 (-3.7A)
None
None
None
 1.47A 4nkxB-3m4uA:
undetectable		 4nkxB-3m4uA:
22.52
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.
3m85 PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Archaeoglobus
fulgidus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 LEU G 105
ASN G 147
ALA G  49
VAL G  58
VAL G  51
 None
 0.90A 4nkxB-3m85G:
undetectable		 4nkxB-3m85G:
19.14
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.
1b5d PROTEIN
(DEOXYCYTIDYLATE
HYDROXYMETHYLASE)

(Escherichia
virus T4) 		PF00303
(Thymidylat_synt) 		4 ILE A  34
LEU A  15
ASP A 171
GLU A  35
 None
 1.05A 4nkxB-1b5dA:
0.0		 4nkxB-1b5dA:
18.76
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.
1e43 ALPHA-AMYLASE

(Bacillus
amyloliquefaciens) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		4 ILE A 387
LEU A 352
ASP A 365
GLU A 385
 None
 1.07A 4nkxB-1e43A:
undetectable		 4nkxB-1e43A:
19.89
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.
1es6 MATRIX PROTEIN VP40

(Ebola virus sp.) 		PF07447
(VP40) 		4 ILE A  82
LEU A  88
ASP A  45
VAL A 162
 None
 1.01A 4nkxB-1es6A:
undetectable		 4nkxB-1es6A:
19.22
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.
1jct GLUCARATE
DEHYDRATASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		4 ILE A 248
LEU A 252
GLU A 216
VAL A 188
 None
 1.02A 4nkxB-1jctA:
0.0		 4nkxB-1jctA:
21.32
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.
1lrt INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH) 		4 ILE A 378
LEU A  54
ASP A 364
VAL A  31
 None
 0.79A 4nkxB-1lrtA:
undetectable		 4nkxB-1lrtA:
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.
1mew INOSINE-5'-MONOPHOSP
HATE DEHYDROGENASE

(Tritrichomonas
suis) 		PF00478
(IMPDH)
PF00571
(CBS) 		4 ILE A 378
LEU A  54
ASP A 364
VAL A  31
 None
 0.80A 4nkxB-1mewA:
0.0		 4nkxB-1mewA:
22.68
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.
1mhs PLASMA MEMBRANE
ATPASE

(Neurospora
crassa) 		PF00122
(E1-E2_ATPase)
PF00690
(Cation_ATPase_N)
PF00702
(Hydrolase) 		4 ILE A  16
LEU A 176
ASP A 185
GLU A 190
 None
 1.06A 4nkxB-1mhsA:
0.0		 4nkxB-1mhsA:
20.67
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.
1paq TRANSLATION
INITIATION FACTOR
EIF-2B EPSILON
SUBUNIT

(Saccharomyces
cerevisiae) 		PF02020
(W2) 		4 ILE A 673
LEU A 700
ASP A 664
GLU A 669
 None
 0.92A 4nkxB-1paqA:
undetectable		 4nkxB-1paqA:
16.83
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.
1vko INOSITOL-3-PHOSPHATE
SYNTHASE

(Caenorhabditis
elegans) 		PF01658
(Inos-1-P_synth)
PF07994
(NAD_binding_5) 		4 ILE A 392
LEU A 352
ASP A 312
GLU A 362
 None
None
NAD  A 601 (-3.7A)
None
 0.89A 4nkxB-1vkoA:
0.0		 4nkxB-1vkoA:
20.43
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.
1x55 ASPARAGINYL-TRNA
SYNTHETASE

(Pyrococcus
horikoshii) 		PF00152
(tRNA-synt_2)
PF01336
(tRNA_anti-codon) 		4 ILE A 288
LEU A 291
ASP A 303
GLU A 299
 None
None
MG  A2002 ( 4.3A)
None
 0.97A 4nkxB-1x55A:
0.0		 4nkxB-1x55A:
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.
1xt8 PUTATIVE AMINO-ACID
TRANSPORTER
PERIPLASMIC
SOLUTE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF00497
(SBP_bac_3) 		4 ILE A  53
LEU A  49
ASP A 220
GLU A  56
 None
 0.95A 4nkxB-1xt8A:
undetectable		 4nkxB-1xt8A:
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.
2bod ENDOGLUCANASE E-2

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		4 ILE X 208
LEU X 213
ASP X 176
VAL X 114
 None
 1.03A 4nkxB-2bodX:
undetectable		 4nkxB-2bodX:
18.66
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.
2hg4 6-DEOXYERYTHRONOLIDE
B SYNTHASE

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08990
(Docking)
PF16197
(KAsynt_C_assoc) 		4 ILE A  41
LEU A 288
GLU A 211
VAL A 293
 None
 0.83A 4nkxB-2hg4A:
undetectable		 4nkxB-2hg4A:
18.70
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.
2iu1 EUKARYOTIC
TRANSLATION
INITIATION FACTOR 5

(Homo sapiens) 		PF02020
(W2) 		4 ILE A 351
LEU A 382
ASP A 342
GLU A 347
 None
 0.93A 4nkxB-2iu1A:
undetectable		 4nkxB-2iu1A:
18.78
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.
2mzw ELONGATION FACTOR G

(Staphylococcus
aureus) 		PF00679
(EFG_C)
PF03764
(EFG_IV)
PF14492
(EFG_II) 		4 ILE A 687
LEU A 601
ASP A 597
VAL A 562
 None
 1.06A 4nkxB-2mzwA:
undetectable		 4nkxB-2mzwA:
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.
2pm9 PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 ILE A  56
LEU A  44
ASP A  18
VAL A 327
 None
 1.04A 4nkxB-2pm9A:
undetectable		 4nkxB-2pm9A:
20.51
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.
2pmu RESPONSE REGULATOR
PHOP

(Mycobacterium
tuberculosis) 		PF00486
(Trans_reg_C) 		4 ILE A 225
LEU A 233
GLU A 178
VAL A 213
 None
 0.96A 4nkxB-2pmuA:
undetectable		 4nkxB-2pmuA:
12.73
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.
2pww UNCHARACTERIZED
PROTEIN

(Bacillus
clausii) 		PF08868
(YugN) 		4 ILE A  99
LEU A   1
ASP A   5
VAL A  55
 None
 0.87A 4nkxB-2pwwA:
undetectable		 4nkxB-2pwwA:
12.53
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.
2qkd ZINC FINGER PROTEIN
ZPR1

(Mus musculus) 		PF03367
(zf-ZPR1) 		4 ILE A 154
LEU A 182
GLU A 147
VAL A 107
 None
 1.05A 4nkxB-2qkdA:
undetectable		 4nkxB-2qkdA:
21.40
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.
2qvg TWO COMPONENT
RESPONSE REGULATOR

(Legionella
pneumophila) 		PF00072
(Response_reg) 		4 ILE A  10
LEU A  64
GLU A  24
VAL A  18
 None
 1.07A 4nkxB-2qvgA:
undetectable		 4nkxB-2qvgA:
15.79
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.
2r9z GLUTATHIONE AMIDE
REDUCTASE

(Marichromatium
gracile) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ILE A 257
LEU A 181
ASP A 157
VAL A  84
 None
 0.92A 4nkxB-2r9zA:
undetectable		 4nkxB-2r9zA:
22.73
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.
2vdu TRNA
(GUANINE-N(7)-)-METH
YLTRANSFERASE-ASSOCI
ATED WD REPEAT
PROTEIN TRM82

(Saccharomyces
cerevisiae) 		no annotation 5 ILE B 306
LEU B 288
ASP B 262
GLU B 307
VAL B 433
 None
 1.30A 4nkxB-2vduB:
undetectable		 4nkxB-2vduB:
21.85
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.
2vsa MOSQUITOCIDAL TOXIN

(Lysinibacillus
sphaericus) 		PF05588
(Botulinum_HA-17)
PF14200
(RicinB_lectin_2) 		4 ILE A 572
LEU A 456
ASP A 551
VAL A 452
 None
 1.06A 4nkxB-2vsaA:
undetectable		 4nkxB-2vsaA:
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.
2w2s MATRIX PROTEIN

(Lagos bat
lyssavirus) 		PF04785
(Rhabdo_M2) 		4 ILE A 155
LEU A 153
GLU A  58
VAL A 106
 None
 1.05A 4nkxB-2w2sA:
undetectable		 4nkxB-2w2sA:
15.90
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.
2wk1 NOVP

(Actinoalloteichus
cyanogriseus) 		PF05711
(TylF) 		4 ILE A 127
LEU A 150
ASP A 196
VAL A 157
 SAH  A 301 ( 4.6A)
None
SAH  A 301 ( 3.5A)
None
 0.84A 4nkxB-2wk1A:
undetectable		 4nkxB-2wk1A:
19.88
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.
2wyh ALPHA-MANNOSIDASE

(Streptococcus
pyogenes) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		4 ILE A 652
LEU A 661
GLU A 605
VAL A 417
 None
 0.88A 4nkxB-2wyhA:
undetectable		 4nkxB-2wyhA:
19.14
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.
2z00 DIHYDROOROTASE

(Thermus
thermophilus) 		PF01979
(Amidohydro_1) 		4 ILE A 303
LEU A 354
GLU A 256
VAL A 253
 None
 0.87A 4nkxB-2z00A:
undetectable		 4nkxB-2z00A:
22.06
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.
3akz GLUTAMYL-TRNA
SYNTHETASE 2

(Thermotoga
maritima) 		no annotation 4 ILE B  63
LEU B  61
GLU B  64
VAL B 214
 None
None
GSU  B1001 (-3.8A)
None
 1.00A 4nkxB-3akzB:
undetectable		 4nkxB-3akzB:
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.
3c8t FUMARATE LYASE

(Chelativorans
sp. BNC1) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		4 ILE A 302
LEU A 303
ASP A 264
GLU A 278
 None
 0.89A 4nkxB-3c8tA:
undetectable		 4nkxB-3c8tA:
22.85
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.
3dfh MANDELATE RACEMASE

(Vibrionales
bacterium
SWAT-3) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A 276
LEU A 244
ASP A 234
VAL A 224
 None
 1.06A 4nkxB-3dfhA:
undetectable		 4nkxB-3dfhA:
22.50
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.
3eb2 PUTATIVE
DIHYDRODIPICOLINATE
SYNTHETASE

(Rhodopseudomonas
palustris) 		PF00701
(DHDPS) 		4 ILE A 255
LEU A 259
GLU A  50
VAL A  22
 None
 0.96A 4nkxB-3eb2A:
undetectable		 4nkxB-3eb2A:
22.16
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.
3gb0 PEPTIDASE T

(Bacillus cereus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ILE A  27
LEU A  31
ASP A 108
GLU A  24
 None
 1.03A 4nkxB-3gb0A:
undetectable		 4nkxB-3gb0A:
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.
3gde DNA LIGASE

(Archaeoglobus
fulgidus) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 ILE A  63
LEU A  66
GLU A  82
VAL A  76
 None
 0.97A 4nkxB-3gdeA:
undetectable		 4nkxB-3gdeA:
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.
3gon PHOSPHOMEVALONATE
KINASE

(Streptococcus
pneumoniae) 		PF00288
(GHMP_kinases_N) 		4 ILE A  18
LEU A  19
ASP A 150
GLU A  15
 PMV  A 400 (-4.6A)
PMV  A 400 ( 4.8A)
None
None
 0.90A 4nkxB-3gonA:
undetectable		 4nkxB-3gonA:
23.71
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.
3ig4 XAA-PRO
AMINOPEPTIDASE

(Bacillus
anthracis) 		PF00557
(Peptidase_M24)
PF05195
(AMP_N) 		4 ILE A 180
LEU A 397
ASP A 174
GLU A 182
 None
 0.99A 4nkxB-3ig4A:
undetectable		 4nkxB-3ig4A:
21.41
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.
3ism CG8862

(Drosophila
melanogaster) 		PF01223
(Endonuclease_NS) 		4 ILE A 305
LEU A 302
GLU A 260
VAL A 208
 None
 0.95A 4nkxB-3ismA:
undetectable		 4nkxB-3ismA:
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.
3iug RHO/CDC42/RAC
GTPASE-ACTIVATING
PROTEIN RICS

(Homo sapiens) 		PF00620
(RhoGAP) 		4 ILE A 486
LEU A 489
GLU A 498
VAL A 385
 None
 0.69A 4nkxB-3iugA:
undetectable		 4nkxB-3iugA:
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.
3k85 D-GLYCERO-D-MANNO-HE
PTOSE 1-PHOSPHATE
KINASE

(Bacteroides
thetaiotaomicron) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		4 ILE A  36
LEU A  11
GLU A 195
VAL A 250
 None
 1.00A 4nkxB-3k85A:
undetectable		 4nkxB-3k85A:
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.
3kpa PROBABLE UBIQUITIN
FOLD MODIFIER
CONJUGATING ENZYME

(Leishmania
major) 		PF08694
(UFC1) 		4 ILE A 114
LEU A  98
GLU A 148
VAL A 153
 None
 0.88A 4nkxB-3kpaA:
undetectable		 4nkxB-3kpaA:
15.52
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.
3kv6 JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION
PROTEIN 1D

(Homo sapiens) 		PF00628
(PHD)
PF02373
(JmjC) 		4 LEU A 271
ASP A 284
GLU A 229
VAL A 241
 AKG  A 702 ( 4.7A)
FE2  A 491 ( 2.6A)
None
None
 0.81A 4nkxB-3kv6A:
undetectable		 4nkxB-3kv6A:
23.34
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.
3l22 SUSD SUPERFAMILY
PROTEIN

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ILE A 194
LEU A 173
ASP A 201
GLU A 196
 None
ACT  A  10 (-4.7A)
None
None
 1.02A 4nkxB-3l22A:
undetectable		 4nkxB-3l22A:
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.
3l4d STEROL 14-ALPHA
DEMETHYLASE

(Leishmania
infantum) 		PF00067
(p450) 		4 ILE A 423
LEU A 133
GLU A 425
VAL A 432
 HEM  A 481 (-4.7A)
HEM  A 481 (-4.8A)
None
None
 1.00A 4nkxB-3l4dA:
31.4		 4nkxB-3l4dA:
24.76
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.
3lv4 GLYCOSIDE HYDROLASE
YXIA

(Bacillus
licheniformis) 		PF04616
(Glyco_hydro_43)
PF16369
(GH43_C) 		4 ILE A 403
LEU A 405
GLU A 385
VAL A 452
 None
None
CA  A 504 (-3.0A)
None
 1.00A 4nkxB-3lv4A:
undetectable		 4nkxB-3lv4A:
20.39
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.
3meq ALCOHOL
DEHYDROGENASE,
ZINC-CONTAINING

(Brucella suis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ILE A 147
LEU A 302
GLU A  66
VAL A 292
 None
None
None
NAI  A 601 (-3.4A)
 1.01A 4nkxB-3meqA:
undetectable		 4nkxB-3meqA:
21.06
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.
3rhg PUTATIVE
PHOPHOTRIESTERASE

(Proteus
mirabilis) 		PF02126
(PTE) 		4 ILE A 101
LEU A  30
ASP A 294
VAL A  77
 UNL  A 374 ( 3.7A)
UNL  A 374 ( 3.6A)
CAC  A 370 (-2.4A)
None
 0.99A 4nkxB-3rhgA:
undetectable		 4nkxB-3rhgA:
22.39
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.
3tth SPERMIDINE
N1-ACETYLTRANSFERASE

(Coxiella
burnetii) 		PF13302
(Acetyltransf_3) 		4 ILE A 115
LEU A 116
GLU A 110
VAL A 165
 None
 1.05A 4nkxB-3tthA:
undetectable		 4nkxB-3tthA:
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.
3u9r METHYLCROTONYL-COA
CARBOXYLASE,
BETA-SUBUNIT

(Pseudomonas
aeruginosa) 		PF01039
(Carboxyl_trans) 		4 ILE B  87
LEU B  91
GLU B  99
VAL B 540
 None
 0.95A 4nkxB-3u9rB:
undetectable		 4nkxB-3u9rB:
20.17
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.
3upu ATP-DEPENDENT DNA
HELICASE DDA

(Escherichia
virus T4) 		PF13604
(AAA_30) 		4 ILE A  45
LEU A  41
ASP A   4
GLU A  47
 None
 1.01A 4nkxB-3upuA:
undetectable		 4nkxB-3upuA:
23.74
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.
3v42 FOLLICULIN

(Homo sapiens) 		PF16692
(Folliculin_C) 		4 ILE A 482
LEU A 549
GLU A 510
VAL A 517
 None
 1.00A 4nkxB-3v42A:
undetectable		 4nkxB-3v42A:
20.04
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.
3va7 KLLA0E08119P

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF00364
(Biotin_lipoyl)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ILE A1709
LEU A1706
ASP A1451
VAL A1516
 None
 0.77A 4nkxB-3va7A:
undetectable		 4nkxB-3va7A:
18.08
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.
4amc GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF01473
(CW_binding_1)
PF02324
(Glyco_hydro_70) 		4 ILE A1123
LEU A1110
ASP A1062
GLU A1069
 None
 1.03A 4nkxB-4amcA:
undetectable		 4nkxB-4amcA:
19.18
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.
4bzk PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12931
(Sec16_C) 		4 ILE A  56
LEU A  44
ASP A  18
VAL A 327
 None
 1.03A 4nkxB-4bzkA:
undetectable		 4nkxB-4bzkA:
18.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 ILE A 130
LEU A 125
ASP A 137
GLU A 132
 None
 0.98A 4nkxB-4c3hA:
undetectable		 4nkxB-4c3hA:
14.44
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.
4co6 NUCLEOPROTEIN

(Nipah
henipavirus) 		PF00973
(Paramyxo_ncap) 		4 ILE A 155
LEU A 161
GLU A  50
VAL A 104
 None
 1.02A 4nkxB-4co6A:
undetectable		 4nkxB-4co6A:
21.78
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.
4cr4 26S PROTEASE
REGULATORY SUBUNIT
6B HOMOLOG

(Saccharomyces
cerevisiae) 		PF00004
(AAA) 		4 ILE K 297
LEU K 296
ASP K 304
GLU K 298
 None
 1.05A 4nkxB-4cr4K:
undetectable		 4nkxB-4cr4K:
24.03
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.
4d2i HERA

(Sulfolobus
solfataricus) 		PF01935
(DUF87)
PF05872
(DUF853)
PF09378
(HAS-barrel) 		4 ILE A 389
LEU A 387
GLU A 355
VAL A 309
 None
None
MG  A1478 ( 3.9A)
None
 1.03A 4nkxB-4d2iA:
undetectable		 4nkxB-4d2iA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8t GLUCARATE
DEHYDRATASE

(Actinobacillus
succinogenes) 		PF13378
(MR_MLE_C) 		4 ILE A 244
LEU A 248
GLU A 212
VAL A 184
 None
 1.05A 4nkxB-4g8tA:
undetectable		 4nkxB-4g8tA:
21.42
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.
4hvt POST-PROLINE
CLEAVING ENZYME

(Rickettsia
typhi) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 ILE A 562
LEU A 560
GLU A 483
VAL A 467
 None
 0.94A 4nkxB-4hvtA:
undetectable		 4nkxB-4hvtA:
21.83
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.
4l8o BILE ACID
7A-DEHYDRATASE, BAIE

([Clostridium]
hylemonae) 		PF13577
(SnoaL_4) 		4 ILE A  50
LEU A  46
ASP A 129
GLU A 132
 None
 0.88A 4nkxB-4l8oA:
undetectable		 4nkxB-4l8oA:
17.17
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.
4lan URACIL-5-CARBOXYLATE
DECARBOXYLASE

(Cordyceps
militaris) 		PF04909
(Amidohydro_2) 		4 ILE A  30
LEU A  32
ASP A  55
GLU A  50
 None
 0.84A 4nkxB-4lanA:
undetectable		 4nkxB-4lanA:
22.85
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.
4leh BILE ACID 7-ALPHA
DEHYDRATASE, BAIE

([Clostridium]
scindens) 		PF13577
(SnoaL_4) 		4 ILE A  53
LEU A  49
ASP A 131
GLU A 134
 None
 0.81A 4nkxB-4lehA:
undetectable		 4nkxB-4lehA:
17.00
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.
4mx8 PERIPLASMIC BINDING
PROTEIN

(Xylanimonas
cellulosilytica) 		PF01497
(Peripla_BP_2) 		4 ILE A  58
LEU A 146
ASP A  51
VAL A  38
 None
 1.01A 4nkxB-4mx8A:
undetectable		 4nkxB-4mx8A:
21.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4nky STEROID
17-ALPHA-HYDROXYLASE
/17,20 LYASE

(Homo sapiens) 		PF00067
(p450) 		5 ILE A 205
LEU A 209
ASP A 298
GLU A 305
VAL A 366
 3QZ  A 601 ( 3.4A)
3QZ  A 601 ( 4.8A)
3QZ  A 601 (-3.5A)
3QZ  A 601 ( 4.9A)
HEM  A 600 ( 3.4A)
 0.22A 4nkxB-4nkyA:
63.5		 4nkxB-4nkyA:
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.
4plb CHIMERA PROTEIN OF
DNA GYRASE SUBUNITS
B AND A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV)
PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		4 ILE B1452
LEU B1371
GLU B1454
VAL B1464
 None
 0.99A 4nkxB-4plbB:
undetectable		 4nkxB-4plbB:
21.41
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.
4pne METHYLTRANSFERASE-LI
KE PROTEIN

(Saccharopolyspora
spinosa) 		PF08241
(Methyltransf_11) 		4 ILE A 160
LEU A 150
GLU A 162
VAL A 129
 None
 1.04A 4nkxB-4pneA:
undetectable		 4nkxB-4pneA:
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.
4q9t NUCLEOPORIN NUP133

(Vanderwaltozyma
polyspora) 		PF08801
(Nucleoporin_N) 		4 ILE A 250
LEU A 248
ASP A 218
GLU A 262
 None
 0.89A 4nkxB-4q9tA:
undetectable		 4nkxB-4q9tA:
24.16
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.
4qor CATALASE

(Bacillus
pumilus) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		4 ILE A  40
LEU A  39
ASP A  47
GLU A  41
 None
 0.97A 4nkxB-4qorA:
undetectable		 4nkxB-4qorA:
21.38
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.
4qvr UNCHARACTERIZED
HYPOTHETICAL PROTEIN
FTT_1539C

(Francisella
tularensis) 		no annotation 4 ILE A 381
LEU A 385
GLU A 128
VAL A 245
 None
 1.03A 4nkxB-4qvrA:
undetectable		 4nkxB-4qvrA:
21.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4r1z CYP17A1 PROTEIN

(Danio rerio) 		PF00067
(p450) 		4 ILE A 218
ASP A 309
GLU A 316
VAL A 377
 AER  A 601 ( 4.3A)
AER  A 601 ( 4.1A)
None
HEM  A 600 (-4.6A)
 0.74A 4nkxB-4r1zA:
50.9		 4nkxB-4r1zA:
46.37
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.
4r6h SOLUTE BINDING
PROTEIN MSME

(Bacillus
subtilis) 		PF01547
(SBP_bac_1) 		4 ILE A 104
LEU A 101
GLU A 350
VAL A 347
 None
 0.98A 4nkxB-4r6hA:
undetectable		 4nkxB-4r6hA:
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.
4rld ASPARTIC PROTEASE
BLA G 2

(Blattella
germanica) 		PF00026
(Asp) 		4 ILE A 114
LEU A 115
ASP A  76
VAL A  39
 None
 0.85A 4nkxB-4rldA:
undetectable		 4nkxB-4rldA:
22.49
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.
4rpa PROBABLE
MANGANESE-DEPENDENT
INORGANIC
PYROPHOSPHATASE

(Staphylococcus
aureus) 		PF01368
(DHH)
PF02833
(DHHA2) 		4 ILE A 147
LEU A 152
ASP A 183
GLU A  46
 None
 0.95A 4nkxB-4rpaA:
undetectable		 4nkxB-4rpaA:
21.98
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.
4sli INTRAMOLECULAR
TRANS-SIALIDASE

(Macrobdella
decora) 		PF02973
(Sialidase)
PF13088
(BNR_2) 		4 ILE A 663
LEU A 716
GLU A 718
VAL A 305
 None
 1.02A 4nkxB-4sliA:
undetectable		 4nkxB-4sliA:
22.41
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.
4tr6 DNA POLYMERASE III
SUBUNIT BETA

(Bacillus
subtilis) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 ILE A 216
LEU A 217
GLU A 212
VAL A 152
 None
 0.82A 4nkxB-4tr6A:
undetectable		 4nkxB-4tr6A:
24.80
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.
4trq NUCLEAR MRNA EXPORT
PROTEIN SAC3

(Saccharomyces
cerevisiae) 		PF03399
(SAC3_GANP) 		4 ILE A 314
LEU A 317
GLU A 280
VAL A 327
 None
 1.03A 4nkxB-4trqA:
undetectable		 4nkxB-4trqA:
20.76
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.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 ILE A 443
LEU A 446
ASP A  60
VAL A 488
 None
 1.04A 4nkxB-4wz9A:
undetectable		 4nkxB-4wz9A:
19.16
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.
4yds FLAGELLA-RELATED
PROTEIN H

(Sulfolobus
acidocaldarius) 		PF06745
(ATPase) 		4 ILE A 126
LEU A 127
GLU A  57
VAL A  53
 None
None
MG  A 902 ( 2.3A)
None
 1.02A 4nkxB-4ydsA:
undetectable		 4nkxB-4ydsA:
19.55
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.
4yg7 SERINE/THREONINE-PRO
TEIN KINASE HIPA

(Escherichia
coli) 		PF07804
(HipA_C)
PF13657
(Couple_hipA) 		4 ILE D 399
LEU D 427
ASP D 404
VAL D 418
 None
 1.06A 4nkxB-4yg7D:
undetectable		 4nkxB-4yg7D:
23.02
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.
4zda ISOCITRATE
DEHYDROGENASE (NADP)
ICD2

(Mycolicibacterium
smegmatis) 		PF03971
(IDH) 		4 ILE A 210
LEU A 212
GLU A 209
VAL A 447
 None
 1.00A 4nkxB-4zdaA:
undetectable		 4nkxB-4zdaA:
20.94
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.
5cad SM80.1 VICILIN

(Solanum
melongena) 		PF00190
(Cupin_1) 		4 ILE A  72
LEU A 125
ASP A 243
GLU A  70
 None
 1.04A 4nkxB-5cadA:
undetectable		 4nkxB-5cadA:
21.40
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.
5cdn DNA GYRASE SUBUNIT A

(Staphylococcus
aureus) 		PF00521
(DNA_topoisoIV) 		4 ILE A 452
LEU A 371
GLU A 454
VAL A 464
 ILE  A 452 ( 0.6A)
LEU  A 371 ( 0.6A)
GLU  A 454 ( 0.6A)
VAL  A 464 ( 0.6A)
 1.00A 4nkxB-5cdnA:
undetectable		 4nkxB-5cdnA:
22.78
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.
5ed4 RESPONSE REGULATOR

(Mycobacterium
tuberculosis) 		PF00072
(Response_reg)
PF00486
(Trans_reg_C) 		4 ILE A 225
LEU A 233
GLU A 178
VAL A 213
 None
 1.07A 4nkxB-5ed4A:
undetectable		 4nkxB-5ed4A:
19.79
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.
5gr8 LEUCINE-RICH REPEAT
RECEPTOR-LIKE
PROTEIN KINASE PEPR1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		4 ILE A 642
LEU A 663
ASP A 657
VAL A 594
 None
 0.98A 4nkxB-5gr8A:
undetectable		 4nkxB-5gr8A:
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.
5i8i UREA AMIDOLYASE

(Kluyveromyces
lactis) 		PF00289
(Biotin_carb_N)
PF01425
(Amidase)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 ILE A1709
LEU A1706
ASP A1451
VAL A1516
 None
 0.78A 4nkxB-5i8iA:
undetectable		 4nkxB-5i8iA:
14.36
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.
5izd D-GLYCERALDEHYDE
DEHYDROGENASE
(NADP(+))

(Thermoplasma
acidophilum) 		PF00171
(Aldedh) 		4 ILE A  85
LEU A  82
GLU A 182
VAL A 189
 None
 1.01A 4nkxB-5izdA:
undetectable		 4nkxB-5izdA:
22.49
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.
5jqk PEPTIDASE, PUTATIVE

(Plasmodium
falciparum) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
PF16188
(Peptidase_M24_C)
PF16189
(Creatinase_N_2) 		4 ILE A 448
LEU A 444
GLU A 346
VAL A 468
 None
 1.05A 4nkxB-5jqkA:
undetectable		 4nkxB-5jqkA:
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.
5k5a PARB DOMAIN PROTEIN
NUCLEASE

(Sulfolobus
solfataricus) 		PF02195
(ParBc) 		4 ILE B 120
LEU B 116
ASP B  62
GLU B  25
 None
 0.96A 4nkxB-5k5aB:
undetectable		 4nkxB-5k5aB:
20.99
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.
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis) 		PF00701
(DHDPS) 		4 ILE A 255
LEU A 259
GLU A  49
VAL A  21
 None
 1.00A 4nkxB-5ktlA:
undetectable		 4nkxB-5ktlA:
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.
5m7o NITROGEN
ASSIMILATION
REGULATORY PROTEIN

(Brucella
abortus) 		PF00072
(Response_reg)
PF00158
(Sigma54_activat)
PF02954
(HTH_8) 		4 ILE A 338
LEU A 346
GLU A 321
VAL A 143
 None
 0.98A 4nkxB-5m7oA:
undetectable		 4nkxB-5m7oA:
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.
5n11 HEMAGGLUTININ-ESTERA
SE

(Betacoronavirus
1) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		4 ILE A 175
LEU A 267
ASP A 190
VAL A 201
 None
None
NAG  A 508 (-3.3A)
None
 0.91A 4nkxB-5n11A:
undetectable		 4nkxB-5n11A:
22.61
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.
5ume 5,10-METHYLENETETRAH
YDROFOLATE REDUCTASE

(Haemophilus
influenzae) 		PF02219
(MTHFR) 		4 ILE A 261
LEU A 262
ASP A 185
VAL A 212
 None
 1.03A 4nkxB-5umeA:
undetectable		 4nkxB-5umeA:
19.38
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.
5vf5 SM80.1 VICILIN

(Solanum
melongena) 		no annotation 4 ILE A  72
LEU A 125
ASP A 242
GLU A  70
 None
 1.04A 4nkxB-5vf5A:
undetectable		 4nkxB-5vf5A:
10.44
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.
5w21 KLOTHO

(Homo sapiens) 		no annotation 4 ILE A 412
LEU A 369
GLU A 414
VAL A 242
 None
 1.05A 4nkxB-5w21A:
undetectable		 4nkxB-5w21A:
9.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w3l VIRAL PROTEIN 3

(Rhinovirus B) 		PF00073
(Rhv) 		4 ILE B  47
LEU B  97
ASP B 216
VAL B 162
 None
 1.07A 4nkxB-5w3lB:
undetectable		 4nkxB-5w3lB:
19.79
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.
5wk0 DAMAGE-INDUCIBLE
PROTEIN DINB

(Staphylococcus
sp. HMSC055H04) 		no annotation 4 ILE A 149
LEU A 150
GLU A 145
VAL A  20
 None
 0.99A 4nkxB-5wk0A:
undetectable		 4nkxB-5wk0A:
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.
6b23 MAJOR HEAD PROTEIN

(Staphylococcus
virus 80alpha) 		no annotation 4 ILE A  47
LEU A  39
GLU A 128
VAL A  29
 None
 1.01A 4nkxB-6b23A:
undetectable		 4nkxB-6b23A:
21.81
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.
6em0 2-HYDROXYBIPHENYL-3-
MONOOXYGENASE

(Pseudomonas
nitroreducens) 		no annotation 4 ILE A  61
LEU A  24
GLU A 130
VAL A 138
 None
 1.03A 4nkxB-6em0A:
undetectable		 4nkxB-6em0A:
10.37
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.
6f91 PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		no annotation 4 LEU A 556
ASP A 493
GLU A 551
VAL A 541
 None
 1.01A 4nkxB-6f91A:
undetectable		 4nkxB-6f91A:
10.53
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.
6g3d ARGININOSUCCINATE
LYASE

(Chelativorans
sp. BNC1) 		no annotation 4 ILE A 175
LEU A 172
GLU A 258
VAL A 269
 None
 1.01A 4nkxB-6g3dA:
undetectable		 4nkxB-6g3dA:
11.39
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.
6g9o VOLUME-REGULATED
ANION CHANNEL
SUBUNIT LRRC8A

(Mus musculus) 		no annotation 4 ILE A 619
LEU A 616
GLU A 597
VAL A 548
 None
 0.98A 4nkxB-6g9oA:
undetectable		 4nkxB-6g9oA:
9.11