SIMILAR PATTERNS OF AMINO ACIDS FOR 1NBI_B_SAMB1293

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.
1a4i METHYLENETETRAHYDROF
OLATE DEHYDROGENASE
/
METHENYLTETRAHYDROFO
LATE CYCLOHYDROLASE

(Homo sapiens) 		PF00763
(THF_DHG_CYH)
PF02882
(THF_DHG_CYH_C) 		5 ILE A 238
GLY A 274
VAL A 271
ASP A 235
SER A  13
 NDP  A 302 (-4.4A)
None
None
None
None
 1.10A 1nbiB-1a4iA:
4.4		 1nbiB-1a4iA:
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.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 GLY A 480
VAL A 482
ALA A 386
GLY A 475
SER A 291
 None
None
None
FAD  A 510 (-3.6A)
None
 1.11A 1nbiB-1coyA:
2.5		 1nbiB-1coyA:
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.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 TYR A  21
GLY A 114
VAL A  95
ALA A  24
SER A 227
 FAD  A 510 (-4.4A)
FAD  A 510 (-3.0A)
None
None
None
 1.08A 1nbiB-1coyA:
2.5		 1nbiB-1coyA:
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.
1g0n TRIHYDROXYNAPHTHALEN
E REDUCTASE

(Magnaporthe
grisea) 		PF13561
(adh_short_C2) 		5 TYR A 178
ILE A  41
GLY A 163
SER A 181
GLY A 209
 PHH  A 402 ( 4.0A)
NDP  A 400 (-4.1A)
None
None
PHH  A 402 (-4.3A)
 0.98A 1nbiB-1g0nA:
6.9		 1nbiB-1g0nA:
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.
1gt9 KUMAMOLYSIN

(Bacillus
subtilis) 		PF00082
(Peptidase_S8) 		5 TRP 1 208
GLY 1 192
VAL 1 207
ALA 1 281
GLY 1 166
 None
 1.12A 1nbiB-1gt91:
2.3		 1nbiB-1gt91:
22.97
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.
1h5q NADP-DEPENDENT
MANNITOL
DEHYDROGENASE

(Agaricus
bisporus) 		PF13561
(adh_short_C2) 		5 TYR A 169
ILE A  23
ALA A 174
SER A 172
GLY A 200
 NAP  A 263 (-4.4A)
NAP  A 263 (-4.3A)
None
None
None
 1.12A 1nbiB-1h5qA:
6.9		 1nbiB-1h5qA:
19.94
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.
1j6y PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Arabidopsis
thaliana) 		PF00639
(Rotamase) 		5 VAL A 113
ASP A 108
ALA A  10
SER A  11
SER A 104
 None
 0.98A 1nbiB-1j6yA:
undetectable		 1nbiB-1j6yA:
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.
1l2q MONOMETHYLAMINE
METHYLTRANSFERASE

(Methanosarcina
barkeri) 		PF05369
(MtmB) 		5 ILE A 135
GLY A 129
VAL A 143
SER A 365
SER A 369
 None
None
None
XPL  A 202 ( 2.7A)
None
 0.97A 1nbiB-1l2qA:
undetectable		 1nbiB-1l2qA:
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.
1lox 15-LIPOXYGENASE

(Oryctolagus
cuniculus) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		5 ILE A 290
GLY A 413
ALA A 404
TRP A 145
GLY A 423
 None
None
RS7  A 841 (-3.3A)
None
None
 1.12A 1nbiB-1loxA:
undetectable		 1nbiB-1loxA:
17.91
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.
1mg5 ALCOHOL
DEHYDROGENASE

(Drosophila
melanogaster) 		PF00106
(adh_short) 		5 TYR A 152
ILE A  18
GLY A 138
ALA A 157
GLY A 183
 ACT  A 900 ( 4.2A)
NAI  A 850 (-3.9A)
None
None
NAI  A 850 (-4.9A)
 0.98A 1nbiB-1mg5A:
7.0		 1nbiB-1mg5A:
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.
1nvt SHIKIMATE
5'-DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 ILE A 154
VAL A 189
ASP A 190
ALA A 242
GLY A 193
 None
 0.97A 1nbiB-1nvtA:
5.9		 1nbiB-1nvtA:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1r8y GLYCINE
N-METHYLTRANSFERASE

(Mus musculus) 		PF13847
(Methyltransf_31) 		9 GLY A  66
VAL A  69
ASP A  70
ALA A  86
SER A  87
TRP A 117
GLY A 137
SER A 139
HIS A 142
 None
 0.74A 1nbiB-1r8yA:
35.1		 1nbiB-1r8yA:
95.21
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.
1t1e KUMAMOLISIN

(Bacillus sp.
MN-32) 		PF00082
(Peptidase_S8)
PF09286
(Pro-kuma_activ) 		5 TRP A 397
GLY A 381
VAL A 396
ALA A 470
GLY A 355
 None
 1.11A 1nbiB-1t1eA:
undetectable		 1nbiB-1t1eA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1to6 GLYCERATE KINASE

(Neisseria
meningitidis) 		PF02595
(Gly_kinase) 		5 ILE A 188
GLY A 244
ALA A 135
SER A 136
GLY A  44
 None
SO4  A 373 (-3.5A)
None
None
None
 1.14A 1nbiB-1to6A:
undetectable		 1nbiB-1to6A:
22.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uzn 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Mycobacterium
tuberculosis) 		PF13561
(adh_short_C2) 		6 TYR A 153
ILE A  27
GLY A 139
ALA A 158
SER A 156
GLY A 184
 None
NAP  A1249 (-4.1A)
None
None
None
None
 1.12A 1nbiB-1uznA:
6.7		 1nbiB-1uznA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xfg GLUCOSAMINE--FRUCTOS
E-6-PHOSPHATE
AMINOTRANSFERASE
[ISOMERIZING]

(Escherichia
coli) 		PF13522
(GATase_6) 		5 ILE A 189
GLY A 157
VAL A 159
ALA A 155
GLY A   2
 None
 0.99A 1nbiB-1xfgA:
undetectable		 1nbiB-1xfgA:
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.
1z48 PROBABLE
NADH-DEPENDENT
FLAVIN
OXIDOREDUCTASE YQJM

(Bacillus
subtilis) 		PF00724
(Oxidored_FMN) 		5 GLY A 251
VAL A 254
SER A 249
GLY A 225
HIS A 231
 None
None
FMN  A1500 ( 4.4A)
None
None
 1.10A 1nbiB-1z48A:
undetectable		 1nbiB-1z48A:
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.
2a0u INITIATION FACTOR 2B

(Leishmania
major) 		PF01008
(IF-2B) 		5 ILE A 359
GLY A 196
VAL A 201
SER A 193
GLY A 263
 None
 0.88A 1nbiB-2a0uA:
5.2		 1nbiB-2a0uA:
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.
2b4q RHAMNOLIPIDS
BIOSYNTHESIS
3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Pseudomonas
aeruginosa) 		PF13561
(adh_short_C2) 		6 TYR A 162
ILE A  21
GLY A 147
ALA A 167
SER A 165
GLY A 193
 NAP  A1901 (-4.5A)
NAP  A1901 (-3.9A)
None
None
None
NAP  A1901 (-4.7A)
 1.27A 1nbiB-2b4qA:
7.3		 1nbiB-2b4qA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cun PHOSPHOGLYCERATE
KINASE

(Pyrococcus
horikoshii) 		PF00162
(PGK) 		5 ILE A 304
VAL A 343
ALA A 363
SER A 364
GLY A 197
 None
None
MPD  A 508 ( 4.8A)
None
None
 0.82A 1nbiB-2cunA:
3.1		 1nbiB-2cunA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Pseudomonas sp.
B-0831) 		PF13561
(adh_short_C2) 		5 TYR A 153
ILE A  13
GLY A 113
SER A 156
GLY A 184
 NAI  A4000 (-4.8A)
NAI  A4000 (-4.0A)
None
None
NAI  A4000 (-4.8A)
 1.06A 1nbiB-2dknA:
5.2		 1nbiB-2dknA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2him L-ASPARAGINASE 1

(Escherichia
coli) 		PF00710
(Asparaginase) 		5 ILE A  75
GLY A  84
VAL A 112
SER A   5
GLY A 109
 None
 1.09A 1nbiB-2himA:
undetectable		 1nbiB-2himA:
20.89
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.
2ji9 OXALYL-COA
DECARBOXYLASE

(Oxalobacter
formigenes) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ILE A 476
VAL A 474
SER A 422
GLY A 459
SER A 458
 None
 0.94A 1nbiB-2ji9A:
5.0		 1nbiB-2ji9A:
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.
2nxf PUTATIVE DIMETAL
PHOSPHATASE

(Danio rerio) 		PF00149
(Metallophos) 		5 ILE A 155
GLY A  64
ALA A  75
SER A  72
GLY A  95
 None
 1.13A 1nbiB-2nxfA:
undetectable		 1nbiB-2nxfA:
23.01
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.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		5 TRP A  71
ILE A  50
VAL A  64
ALA A  17
GLY A 339
 None
None
None
None
FAD  A1373 (-3.2A)
 1.08A 1nbiB-2uzzA:
2.8		 1nbiB-2uzzA:
24.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wek ZINC-BINDING ALCOHOL
DEHYDROGENASE
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 270
ALA A  76
SER A  77
GLY A 250
SER A 273
 NAP  A1372 (-3.3A)
NAP  A1372 (-3.6A)
DIF  A1373 (-3.0A)
None
NAP  A1372 (-4.8A)
 1.16A 1nbiB-2wekA:
7.9		 1nbiB-2wekA:
22.31
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.
2wsb GALACTITOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		PF13561
(adh_short_C2) 		5 TYR A 159
ILE A  23
GLY A 143
SER A 162
GLY A 190
 POL  A1255 (-3.8A)
NAD  A 500 (-3.9A)
None
None
POL  A1256 (-4.7A)
 1.00A 1nbiB-2wsbA:
7.9		 1nbiB-2wsbA:
22.15
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.
2x0f WSAF

(Geobacillus
stearothermophilus) 		no annotation 5 ILE A 280
GLY A 248
VAL A 282
ALA A 256
GLY A 318
 None
None
TRH  A 416 ( 4.4A)
None
None
 1.09A 1nbiB-2x0fA:
undetectable		 1nbiB-2x0fA:
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.
2z22 PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Yersinia pestis) 		no annotation 5 GLY X 246
ALA X 227
SER X 226
GLY X 214
SER X 211
 None
 0.89A 1nbiB-2z22X:
undetectable		 1nbiB-2z22X:
24.29
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.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 5 GLY E  78
VAL E  80
ALA E 102
GLY E 182
SER E 352
 None
 1.14A 1nbiB-3aoeE:
4.3		 1nbiB-3aoeE:
22.04
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.
3aoe GLUTAMATE
DEHYDROGENASE

(Thermus
thermophilus) 		no annotation 5 ILE E 164
GLY E  78
VAL E  80
GLY E 182
SER E 352
 None
 1.06A 1nbiB-3aoeE:
4.3		 1nbiB-3aoeE:
22.04
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.
3awd PUTATIVE POLYOL
DEHYDROGENASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 TYR A 162
ILE A  22
GLY A 146
ALA A 167
SER A 165
 None
 1.15A 1nbiB-3awdA:
8.2		 1nbiB-3awdA:
24.15
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.
3d2u UL18 PROTEIN

(Human
betaherpesvirus
5) 		PF00129
(MHC_I)
PF07654
(C1-set) 		5 TYR A  62
GLY A  47
SER A  56
TRP A  51
GLY A  23
 None
 0.88A 1nbiB-3d2uA:
undetectable		 1nbiB-3d2uA:
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.
3fw8 RETICULINE OXIDASE

(Eschscholzia
californica) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ILE A 460
GLY A 226
ALA A 230
GLY A 177
SER A 176
 None
FAD  A   1 (-3.9A)
FAD  A   1 ( 4.5A)
None
FAD  A   1 ( 4.3A)
 1.09A 1nbiB-3fw8A:
undetectable		 1nbiB-3fw8A:
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.
3fy3 HEMOLYSIN

(Proteus
mirabilis) 		PF05860
(Haemagg_act) 		5 ILE A 252
GLY A 217
SER A 230
GLY A 260
SER A 259
 None
 1.08A 1nbiB-3fy3A:
undetectable		 1nbiB-3fy3A:
20.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j9q SHEATH

(Pseudomonas
aeruginosa) 		PF04984
(Phage_sheath_1)
PF17482
(Phage_sheath_1C) 		5 VAL A  32
ASP A  31
ALA A 142
GLY A 132
SER A 134
 None
 1.14A 1nbiB-3j9qA:
2.9		 1nbiB-3j9qA:
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.
3lyl 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		5 TYR A 154
ILE A  17
GLY A 140
ALA A 159
GLY A 185
 None
 1.16A 1nbiB-3lylA:
7.7		 1nbiB-3lylA:
22.94
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.
3mvd REGULATOR OF
CHROMOSOME
CONDENSATION

(Drosophila
melanogaster) 		PF00415
(RCC1) 		5 TYR K 251
GLY K 301
VAL K 355
ALA K 248
GLY K 408
 None
 1.07A 1nbiB-3mvdK:
undetectable		 1nbiB-3mvdK:
24.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nzu PHOSPHATIDYLINOSITOL
-4,5-BISPHOSPHATE
3-KINASE CATALYTIC
SUBUNIT GAMMA
ISOFORM

(Homo sapiens) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		5 ILE A 828
GLY A 790
VAL A 785
TRP A 201
HIS A 295
 None
 0.98A 1nbiB-3nzuA:
undetectable		 1nbiB-3nzuA:
15.14
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.
3o26 SALUTARIDINE
REDUCTASE

(Papaver
somniferum) 		PF00106
(adh_short)
PF13561
(adh_short_C2) 		5 TYR A 236
ILE A  24
ALA A 241
SER A 239
GLY A 265
 NDP  A 312 (-4.7A)
NDP  A 312 (-3.9A)
None
None
None
 1.09A 1nbiB-3o26A:
7.2		 1nbiB-3o26A:
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.
3pig BETA-FRUCTOFURANOSID
ASE

(Bifidobacterium
longum) 		PF00251
(Glyco_hydro_32N)
PF08244
(Glyco_hydro_32C) 		5 ILE A 343
GLY A 254
VAL A 252
ALA A 257
SER A 256
 None
 1.01A 1nbiB-3pigA:
undetectable		 1nbiB-3pigA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q3q ALKALINE PHOSPHATASE

(Sphingomonas
sp. BSAR-1) 		PF01663
(Phosphodiest) 		5 VAL A 501
ALA A 298
SER A 297
GLY A 348
HIS A 304
 None
None
None
None
ZN  A1561 ( 3.2A)
 1.07A 1nbiB-3q3qA:
undetectable		 1nbiB-3q3qA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qyq DEOXYRIBOSE-PHOSPHAT
E ALDOLASE, PUTATIVE

(Toxoplasma
gondii) 		no annotation 5 ILE A  59
GLY A  48
VAL A  75
ASP A 104
GLY A  72
 None
 1.09A 1nbiB-3qyqA:
undetectable		 1nbiB-3qyqA:
22.69
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.
3rde ARACHIDONATE
12-LIPOXYGENASE,
12S-TYPE

(Sus scrofa) 		PF00305
(Lipoxygenase) 		5 ILE A 290
GLY A 413
ALA A 404
TRP A 145
GLY A 423
 None
None
OYP  A 664 (-3.3A)
None
None
 1.16A 1nbiB-3rdeA:
undetectable		 1nbiB-3rdeA:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rj9 ALCOHOL
DEHYDROGENASE

(Scaptodrosophila
lebanonensis) 		PF00106
(adh_short) 		5 TYR A 151
ILE A  17
ALA A 156
SER A 154
GLY A 182
 NAD  A 850 (-4.8A)
NAD  A 850 (-4.0A)
None
None
NAD  A 850 (-4.9A)
 1.13A 1nbiB-3rj9A:
6.8		 1nbiB-3rj9A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rku OXIDOREDUCTASE
YMR226C

(Saccharomyces
cerevisiae) 		PF00106
(adh_short) 		5 TYR A 168
ILE A  25
GLY A 154
SER A 171
GLY A 199
 NAP  A 268 (-4.8A)
NAP  A 268 (-3.9A)
None
None
NAP  A 268 (-4.7A)
 1.14A 1nbiB-3rkuA:
7.0		 1nbiB-3rkuA:
20.45
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.
3s4l CAS3 METAL DEPENDENT
PHOSPHOHYDROLASE

(Methanocaldococcus
jannaschii) 		no annotation 5 TYR A  98
ILE A 156
GLY A  69
ALA A  96
GLY A 154
 None
 1.14A 1nbiB-3s4lA:
undetectable		 1nbiB-3s4lA:
21.89
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.
3trf SHIKIMATE KINASE

(Coxiella
burnetii) 		PF01202
(SKI) 		5 ILE A  11
VAL A  86
ALA A  70
GLY A  82
SER A  36
 None
 1.11A 1nbiB-3trfA:
undetectable		 1nbiB-3trfA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v2g 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		6 TYR A 180
ILE A  43
GLY A 165
ALA A 185
SER A 183
GLY A 211
 None
 1.23A 1nbiB-3v2gA:
7.4		 1nbiB-3v2gA:
24.62
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.
3vup BETA-1,4-MANNANASE

(Aplysia kurodai) 		PF00150
(Cellulase) 		5 ILE A 211
GLY A 156
VAL A 220
ASP A 257
GLY A 217
 None
 0.99A 1nbiB-3vupA:
undetectable		 1nbiB-3vupA:
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.
3wst PROTEIN ARGININE
N-METHYLTRANSFERASE
7

(Caenorhabditis
elegans) 		PF13649
(Methyltransf_25) 		5 ILE A 192
GLY A 209
ALA A 212
GLY A 348
SER A 351
 None
 1.02A 1nbiB-3wstA:
4.7		 1nbiB-3wstA:
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.
3wtb PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF13561
(adh_short_C2) 		5 TYR A 152
ILE A  15
GLY A 137
ALA A 157
GLY A 183
 None
 1.15A 1nbiB-3wtbA:
6.8		 1nbiB-3wtbA:
22.08
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.
3zt9 SERINE PHOSPHATASE

(Moorella
thermoacetica) 		PF07228
(SpoIIE) 		5 ILE A 123
VAL A  83
ASP A  38
ALA A  55
SER A  56
 None
None
MN  A1195 ( 2.6A)
None
None
 0.99A 1nbiB-3zt9A:
undetectable		 1nbiB-3zt9A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a9a RIBOSOME-INTERACTING
GTPASE 1

(Saccharomyces
cerevisiae) 		PF01926
(MMR_HSR1)
PF02824
(TGS)
PF16897
(MMR_HSR1_Xtn) 		5 ILE A 122
GLY A  69
VAL A  71
ALA A  66
SER A  67
 None
 1.11A 1nbiB-4a9aA:
undetectable		 1nbiB-4a9aA:
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.
4as3 PHOSPHORYLCHOLINE
PHOSPHATASE

(Pseudomonas
aeruginosa) 		no annotation 5 ILE A 165
VAL A  29
ALA A 314
TRP A 318
GLY A 261
 None
 1.13A 1nbiB-4as3A:
5.0		 1nbiB-4as3A:
20.96
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.
4bpc RECEPTOR-TYPE
TYROSINE-PROTEIN
PHOSPHATASE S

(Homo sapiens) 		PF00102
(Y_phosphatase) 		5 ILE A1727
GLY A1732
VAL A1730
ALA A1700
SER A1699
 None
 1.13A 1nbiB-4bpcA:
undetectable		 1nbiB-4bpcA:
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.
4cqm CARBONYL REDUCTASE
FAMILY MEMBER 4

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 TYR B 148
ILE B  14
GLY B 134
SER B 151
GLY B 179
 None
NAP  B 301 (-3.7A)
None
None
None
 1.13A 1nbiB-4cqmB:
7.7		 1nbiB-4cqmB:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e4y SHORT CHAIN
DEHYDROGENASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		6 TYR A 137
ILE A  13
GLY A 123
VAL A 165
SER A 140
GLY A 168
 GOL  A 306 (-4.8A)
None
None
None
None
GOL  A 306 (-4.7A)
 1.38A 1nbiB-4e4yA:
6.5		 1nbiB-4e4yA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4epa PESTICIN RECEPTOR

(Yersinia pestis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ILE A 528
GLY A 577
VAL A 547
ALA A 593
GLY A  54
 None
 1.11A 1nbiB-4epaA:
undetectable		 1nbiB-4epaA:
18.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fgs PROBABLE
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF13561
(adh_short_C2) 		6 TYR A 151
ILE A  19
GLY A 137
ALA A 156
SER A 154
GLY A 182
 None
 1.19A 1nbiB-4fgsA:
8.0		 1nbiB-4fgsA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g4s PROTEASOME CHAPERONE
1
PROTEASOME ASSEMBLY
CHAPERONE 2

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF10450
(POC1)
PF09754
(PAC2) 		5 ILE O  52
GLY O 198
ALA P  69
SER P  68
GLY O 147
 None
 1.12A 1nbiB-4g4sO:
undetectable		 1nbiB-4g4sO:
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.
4iil MEMBRANE LIPOPROTEIN
TPN38(B)

(Treponema
pallidum) 		PF02608
(Bmp) 		5 ILE A 303
GLY A 129
ALA A 167
GLY A 249
SER A 251
 None
 1.13A 1nbiB-4iilA:
undetectable		 1nbiB-4iilA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iil MEMBRANE LIPOPROTEIN
TPN38(B)

(Treponema
pallidum) 		PF02608
(Bmp) 		5 ILE A 303
VAL A 135
ALA A 167
GLY A 249
SER A 251
 None
 1.06A 1nbiB-4iilA:
undetectable		 1nbiB-4iilA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4imr 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
REDUCTASE

(Agrobacterium
fabrum) 		PF13561
(adh_short_C2) 		5 TYR A 159
ILE A  23
GLY A 145
ALA A 164
GLY A 190
 NAP  A 300 (-4.4A)
NAP  A 300 (-4.0A)
None
None
NAP  A 300 (-4.9A)
 1.06A 1nbiB-4imrA:
6.9		 1nbiB-4imrA:
23.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j0k TANNASE

(Lactobacillus
plantarum) 		no annotation 5 GLY A 416
ASP A 456
GLY A 453
SER A 452
HIS A 451
 None
None
None
None
EGR  A 501 (-3.8A)
 1.14A 1nbiB-4j0kA:
2.0		 1nbiB-4j0kA:
20.38
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.
4jro FABG PROTEIN

(Listeria
monocytogenes) 		PF13561
(adh_short_C2) 		5 TYR A 155
ILE A  17
ALA A 160
SER A 158
GLY A 186
 None
 1.10A 1nbiB-4jroA:
7.8		 1nbiB-4jroA:
24.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k3g IMMUNOGLOBULIN
LAMBDA VARIABLE
DOMAIN L5(L89S)

(Homo sapiens) 		PF07686
(V-set) 		5 GLY A  24
VAL A   3
ALA A  72
TRP A  35
GLY A 100
 None
 1.02A 1nbiB-4k3gA:
undetectable		 1nbiB-4k3gA:
17.01
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.
4l1m E3 UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 ILE A 670
VAL A 714
ALA A 499
GLY A 717
HIS A 501
 None
 0.95A 1nbiB-4l1mA:
undetectable		 1nbiB-4l1mA:
22.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lvu OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Burkholderia
thailandensis) 		PF13561
(adh_short_C2) 		5 TYR A 178
ILE A  41
GLY A 164
ALA A 183
GLY A 209
 None
 1.01A 1nbiB-4lvuA:
8.1		 1nbiB-4lvuA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mae METHANOL
DEHYDROGENASE

(Methylacidiphilum
fumariolicum) 		PF13360
(PQQ_2) 		5 ILE A 507
GLY A  57
VAL A 525
ALA A 156
GLY A 469
 None
 1.15A 1nbiB-4maeA:
undetectable		 1nbiB-4maeA:
20.25
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.
4mf9 HEMIN DEGRADING
FACTOR

(Pseudomonas
aeruginosa) 		PF05171
(HemS) 		5 GLY A  42
VAL A 144
ASP A 140
ALA A 174
SER A  47
 None
 1.11A 1nbiB-4mf9A:
undetectable		 1nbiB-4mf9A:
24.40
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.
4o9h LIGHT CHAIN OF THE
CAMELID FAB FRAGMENT
61H7

(Lama glama) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY L  23
VAL L   3
ALA L  74
TRP L  37
GLY L 102
 None
 1.03A 1nbiB-4o9hL:
undetectable		 1nbiB-4o9hL:
22.76
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.
4ukd URIDYLMONOPHOSPHATE/
CYTIDYLMONOPHOSPHATE
KINASE

(Dictyostelium
discoideum) 		PF00406
(ADK) 		5 ILE A  55
GLY A  62
VAL A  65
SER A 144
GLY A  38
 None
UDP  A 196 ( 4.1A)
UDP  A 196 (-3.7A)
None
UDP  A 196 (-3.6A)
 1.07A 1nbiB-4ukdA:
undetectable		 1nbiB-4ukdA:
23.33
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.
4w7h CARBONYL REDUCTASE

(Sphingomonas
sp. A1) 		PF13561
(adh_short_C2) 		5 TYR A 164
ILE A  19
GLY A 149
ALA A 169
GLY A 195
 None
 1.14A 1nbiB-4w7hA:
7.2		 1nbiB-4w7hA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wzb NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 GLY A  73
VAL A 110
ALA A 198
GLY A 255
SER A 254
 None
 1.14A 1nbiB-4wzbA:
undetectable		 1nbiB-4wzbA:
20.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y7d ALPHA/BETA HYDROLASE
FOLD PROTEIN

(Nakamurella
multipartita) 		PF00561
(Abhydrolase_1) 		5 ILE A 172
VAL A 280
ALA A 129
SER A 104
GLY A 273
 None
None
None
None
CL  A 501 ( 3.7A)
 1.13A 1nbiB-4y7dA:
undetectable		 1nbiB-4y7dA:
23.21
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.
4ysh GLYCINE OXIDASE

(Geobacillus
kaustophilus) 		PF01266
(DAO) 		5 ILE A 206
GLY A  16
VAL A  10
GLY A 209
HIS A 334
 None
None
None
FAD  A 401 (-3.6A)
None
 1.09A 1nbiB-4yshA:
2.8		 1nbiB-4yshA:
24.23
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.
4yu4 HEMOGLOBIN
HEMOGLOBIN

(Helogale
parvula;
Helogale
parvula) 		PF00042
(Globin)
PF00042
(Globin) 		5 VAL B 126
ALA A  28
GLY B 119
SER A 111
HIS A 112
 None
 1.07A 1nbiB-4yu4B:
undetectable		 1nbiB-4yu4B:
21.23
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.
4ztc AMINOTRANSFERASE
HOMOLOG

(Campylobacter
jejuni) 		PF01041
(DegT_DnrJ_EryC1) 		5 ILE A 237
GLY A 182
SER A   6
GLY A 191
SER A 179
 None
4RA  A 401 (-3.1A)
None
None
4RA  A 401 (-2.6A)
 1.16A 1nbiB-4ztcA:
undetectable		 1nbiB-4ztcA:
21.39
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.
5cej 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Yersinia pestis) 		PF13561
(adh_short_C2) 		5 TYR A 151
ILE A  17
GLY A 137
ALA A 156
GLY A 182
 None
 1.14A 1nbiB-5cejA:
7.6		 1nbiB-5cejA:
23.20
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.
5fg3 PROBABLE TRANSLATION
INITIATION FACTOR
IF-2

(Aeropyrum
pernix) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2)
PF14578
(GTP_EFTU_D4) 		5 ILE A 550
GLY A 496
VAL A 486
ALA A 538
GLY A 557
 None
 1.15A 1nbiB-5fg3A:
undetectable		 1nbiB-5fg3A:
19.32
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.
5fpw PRO CATHEPSIN B S9

(Trypanosoma
congolense) 		PF00112
(Peptidase_C1) 		5 ILE A 302
VAL A 263
ALA A 101
SER A  99
GLY A 306
 None
 1.10A 1nbiB-5fpwA:
undetectable		 1nbiB-5fpwA:
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.
5fub PROTEIN ARGININE
METHYLTRANSFERASE 2

(Danio rerio) 		PF13649
(Methyltransf_25) 		5 TYR A  84
GLY A 125
VAL A 128
ALA A 147
SER A 148
 SAH  A 409 ( 3.6A)
SAH  A 409 ( 3.7A)
None
SAH  A 409 (-3.5A)
SAH  A 409 ( 4.2A)
 0.82A 1nbiB-5fubA:
8.1		 1nbiB-5fubA:
23.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE

(Methanohalophilus
portucalensis) 		PF13649
(Methyltransf_25) 		5 GLY A  69
SER A  90
TRP A 115
GLY A 133
SER A 135
 SAH  A 301 (-3.3A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 3.3A)
SAH  A 301 (-3.1A)
 0.65A 1nbiB-5h02A:
25.7		 1nbiB-5h02A:
30.16
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.
5hax NUCLEOPORIN NUP170

(Chaetomium
thermophilum) 		PF08801
(Nucleoporin_N) 		5 ILE A 646
GLY A 733
ALA A 756
GLY A 650
SER A 670
 None
 1.03A 1nbiB-5haxA:
undetectable		 1nbiB-5haxA:
16.55
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.
5ks8 PYRUVATE CARBOXYLASE
SUBUNIT BETA

(Methylobacillus
flagellatus) 		PF00364
(Biotin_lipoyl)
PF00682
(HMGL-like)
PF02436
(PYC_OADA) 		5 GLY C 228
ALA C 211
GLY C  14
SER C 238
HIS C 205
 None
None
None
None
MN  C2002 (-3.6A)
 1.07A 1nbiB-5ks8C:
undetectable		 1nbiB-5ks8C:
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.
5l6f FAD LINKED
OXIDASE-LIKE PROTEIN

(Thermothelomyces
thermophila) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ILE A 219
GLY A 100
ALA A  97
GLY A 161
HIS A 166
 FAD  A 501 (-4.8A)
FAD  A 501 ( 3.8A)
None
FAD  A 501 (-3.5A)
FAD  A 501 (-4.6A)
 0.87A 1nbiB-5l6fA:
undetectable		 1nbiB-5l6fA:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5no5 ABYA5

(Verrucosispora) 		no annotation 5 TYR A 187
ALA A 192
SER A 191
GLY A 149
SER A 219
 None
 1.10A 1nbiB-5no5A:
undetectable		 1nbiB-5no5A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ods CLATHRIN HEAVY CHAIN
1

(Mus musculus) 		no annotation 5 ILE A 282
GLY A 314
ALA A 311
GLY A 317
HIS A  12
 None
 0.87A 1nbiB-5odsA:
undetectable		 1nbiB-5odsA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ovk 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 5 TYR A 161
ILE A  35
GLY A 147
ALA A 166
GLY A 192
 None
NDP  A 301 ( 4.5A)
None
None
None
 1.07A 1nbiB-5ovkA:
6.5		 1nbiB-5ovkA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ovl 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE FABG

(Mycolicibacterium
smegmatis) 		no annotation 5 TYR A 161
ILE A  35
GLY A 147
ALA A 166
GLY A 192
 NAP  A1001 (-4.6A)
NAP  A1001 (-4.0A)
None
None
NAP  A1001 (-4.9A)
 1.07A 1nbiB-5ovlA:
6.4		 1nbiB-5ovlA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5sym ACYL-PROTEIN
THIOESTERASE 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		5 ILE A 222
GLY A 116
VAL A  24
ALA A 123
GLY A 138
 None
 1.03A 1nbiB-5symA:
2.6		 1nbiB-5symA:
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.
5td3 CATECHOL
1,2-DIOXYGENASE

(Burkholderia
vietnamiensis) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 TYR A 211
GLY A 230
ASP A 224
ALA A 265
GLY A 217
 None
 1.04A 1nbiB-5td3A:
undetectable		 1nbiB-5td3A:
24.31
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.
5tt0 OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Burkholderia
thailandensis) 		PF13561
(adh_short_C2) 		5 TYR A 145
ILE A  16
GLY A 132
ALA A 150
GLY A 176
 EDO  A 310 (-4.2A)
None
None
None
EDO  A 309 ( 4.1A)
 1.01A 1nbiB-5tt0A:
8.4		 1nbiB-5tt0A:
23.00
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.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		5 ILE A 117
GLY A   8
VAL A  32
ALA A  16
GLY A  38
 FAD  A 401 (-4.8A)
FAD  A 401 (-3.2A)
FAD  A 401 (-4.1A)
None
FAD  A 401 (-3.2A)
 1.15A 1nbiB-5twbA:
2.9		 1nbiB-5twbA:
22.31
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.
5u2w SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		6 TYR A 155
ILE A  18
GLY A 140
ALA A 160
SER A 158
GLY A 186
 IMD  A 304 ( 4.3A)
NAP  A 301 (-4.0A)
None
None
None
NAP  A 301 (-4.7A)
 1.22A 1nbiB-5u2wA:
7.1		 1nbiB-5u2wA:
20.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ubk ACYL-HOMOSERINE
LACTONE ACYLASE PVDQ

(Pseudomonas
aeruginosa) 		PF01804
(Penicil_amidase) 		5 ILE A 451
GLY A 478
VAL A 475
ALA A   1
GLY A 454
 None
None
None
83M  A 801 (-3.0A)
None
 1.10A 1nbiB-5ubkA:
undetectable		 1nbiB-5ubkA:
16.74
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.
5wva SHORT-CHAIN
DEHYDROGENASE

(Serratia
marcescens) 		no annotation 5 TYR A 158
ILE A  21
GLY A 143
SER A 161
GLY A 189
 None
 1.08A 1nbiB-5wvaA:
7.6		 1nbiB-5wvaA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 ILE A 197
GLY A 140
VAL A 136
ALA A  78
GLY A  94
 None
 1.15A 1nbiB-5z9sA:
undetectable		 1nbiB-5z9sA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c8z ADP-DEPENDENT
PHOSPHOFRUCTOKINASE

(Methanosarcinales) 		no annotation 5 TYR A  10
ILE A 454
ALA A 392
GLY A 418
SER A 415
 None
 1.05A 1nbiB-6c8zA:
5.8		 1nbiB-6c8zA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pgw BEAN POD MOTTLE
VIRUS LARGE (L)
SUBUNIT

(Bean pod mottle
virus) 		PF02247
(Como_LCP) 		4 ARG 2 240
ASP 2 321
ASN 2 270
TYR 2 241
 None
 1.14A 1nbiB-1pgw2:
0.0		 1nbiB-1pgw2:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xsz GUANINE NUCLEOTIDE
EXCHANGE PROTEIN

(Legionella
pneumophila) 		PF01369
(Sec7) 		4 ARG A 293
ASP A  60
ASN A  69
TYR A 278
 None
 1.48A 1nbiB-1xszA:
0.0		 1nbiB-1xszA:
21.07
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.
3nhi D7 PROTEIN

(Anopheles
stephensi) 		PF01395
(PBP_GOBP) 		4 ARG A 177
ASP A 214
ASN A 216
TYR A 179
 None
None
None
SO4  A 299 (-4.9A)
 1.48A 1nbiB-3nhiA:
0.0		 1nbiB-3nhiA:
22.74
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.
3ouh EGL NINE HOMOLOG 1

(Homo sapiens) 		PF13640
(2OG-FeII_Oxy_3) 		4 ARG A 383
MET A 299
ASN A 316
TYR A 303
 014  A 417 (-3.1A)
014  A 417 (-3.4A)
None
None
 1.41A 1nbiB-3ouhA:
0.0		 1nbiB-3ouhA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oui EGL NINE HOMOLOG 1

(Homo sapiens) 		PF13640
(2OG-FeII_Oxy_3) 		4 ARG A 383
MET A 299
ASN A 316
TYR A 303
 42Z  A 393 (-2.9A)
42Z  A 393 (-3.3A)
None
None
 1.31A 1nbiB-3ouiA:
0.0		 1nbiB-3ouiA:
23.03
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.
3p2c PUTATIVE GLYCOSYL
HYDROLASE

(Bacteroides
ovatus) 		PF06824
(Glyco_hydro_125) 		4 ARG A 194
MET A 411
ASN A 386
TYR A 191
 None
 1.48A 1nbiB-3p2cA:
0.0		 1nbiB-3p2cA:
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.
4kws D-MANNONATE
DEHYDRATASE

(Chromohalobacter
salexigens) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 149
ASP A 319
ASN A  18
TYR A 161
 None
GOL  A 502 (-2.8A)
None
None
 1.21A 1nbiB-4kwsA:
0.8		 1nbiB-4kwsA:
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 ASP B 340
MET B 200
ASN B 196
TYR B 359
 None
 1.43A 1nbiB-5fq6B:
0.3		 1nbiB-5fq6B:
14.30
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.
5isx GRAMICIDIN S
SYNTHASE 1

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		4 ASP A 868
MET A 935
ASN A 859
TYR A 916
 None
 1.49A 1nbiB-5isxA:
0.0		 1nbiB-5isxA:
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.
5lx8 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		4 ARG A 424
ASP A  75
ASN A 325
TYR A 271
 None
 1.48A 1nbiB-5lx8A:
undetectable		 1nbiB-5lx8A:
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.
5mvo FOXE

(Rhodobacter sp.
SW2) 		no annotation 4 ARG A  93
ASP A 228
MET A 230
ASN A 123
 HEC  A 301 (-3.8A)
None
HEC  A 301 (-2.2A)
None
 1.43A 1nbiB-5mvoA:
undetectable		 1nbiB-5mvoA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x9r CITRATE-SODIUM
SYMPORTER

(Klebsiella
pneumoniae) 		PF03390
(2HCT) 		4 ARG A 428
ASP A 112
ASN A 109
TYR A 300
 FLC  A 501 (-2.8A)
None
None
None
 1.21A 1nbiB-5x9rA:
undetectable		 1nbiB-5x9rA:
20.45
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 4 ARG A  41
ASP A 421
ASN A 437
TYR A  49
 None
 1.49A 1nbiB-6eojA:
undetectable		 1nbiB-6eojA:
12.70
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.
6f9n CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
SUBUNIT 1

(Homo sapiens) 		no annotation 4 ARG A1382
ASP A1342
ASN A 471
TYR A   5
 None
 1.37A 1nbiB-6f9nA:
1.5		 1nbiB-6f9nA:
undetectable