SIMILAR PATTERNS OF AMINO ACIDS FOR 1NBH_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.
1bvy PROTEIN (CYTOCHROME
P450 BM-3)

(Bacillus
megaterium) 		PF00258
(Flavodoxin_1) 		5 ILE F 585
GLY F 568
VAL F 566
ALA F 605
GLY F 487
 None
None
None
FMN  F1002 ( 4.8A)
None
 0.93A 1nbhB-1bvyF:
undetectable		 1nbhB-1bvyF:
20.34
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.
1evj GLUCOSE-FRUCTOSE
OXIDOREDUCTASE

(Zymomonas
mobilis) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 ILE A 359
GLY A 215
SER A 187
GLY A 208
TYR A 360
 None
 1.10A 1nbhB-1evjA:
undetectable		 1nbhB-1evjA:
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.
1f2e GLUTATHIONE
S-TRANSFERASE

(Sphingomonas
paucimobilis) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 GLY A   8
ALA A  13
SER A  11
HIS A 106
LEU A 101
 None
None
None
GSH  A 210 (-4.4A)
None
 1.07A 1nbhB-1f2eA:
undetectable		 1nbhB-1f2eA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1nbhB-1g0nA:
6.6		 1nbhB-1g0nA:
24.21
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.
1g7u 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Escherichia
coli) 		PF00793
(DAHP_synth_1) 		5 ILE A 164
GLY A 235
VAL A  13
ALA A 225
LEU A 255
 None
 1.02A 1nbhB-1g7uA:
undetectable		 1nbhB-1g7uA:
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.
1gns SUBTILISIN BPN'

(Bacillus
amyloliquefaciens) 		PF00082
(Peptidase_S8) 		5 TYR A 171
ILE A 107
SER A 173
GLY A 128
TYR A 104
 None
 1.07A 1nbhB-1gnsA:
undetectable		 1nbhB-1gnsA:
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.
1jqi SHORT CHAIN ACYL-COA
DEHYDROGENASE

(Rattus
norvegicus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 TYR A  99
ILE A 239
GLY A 101
ALA A  57
GLY A 107
 None
 1.09A 1nbhB-1jqiA:
undetectable		 1nbhB-1jqiA:
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.
1kph CYCLOPROPANE-FATTY-A
CYL-PHOSPHOLIPID
SYNTHASE 1

(Mycobacterium
tuberculosis) 		PF02353
(CMAS) 		5 TYR A  16
GLY A  74
SER A  96
GLY A 137
HIS A 141
 SAH  A1900 ( 4.2A)
SAH  A1900 (-3.2A)
None
CO3  A1902 (-3.1A)
SAH  A1900 (-4.4A)
 0.82A 1nbhB-1kphA:
15.4		 1nbhB-1kphA:
23.77
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.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 ILE A 334
GLY A 257
GLY A 276
HIS A 269
LEU A 268
 None
None
None
ZN  A 401 ( 3.3A)
None
 0.97A 1nbhB-1kq3A:
2.3		 1nbhB-1kq3A:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.07A 1nbhB-1loxA:
undetectable		 1nbhB-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)
 0.96A 1nbhB-1mg5A:
6.6		 1nbhB-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.
1ocm MALONAMIDASE E2

(Bradyrhizobium
japonicum) 		PF01425
(Amidase) 		5 ILE A 168
GLY A 203
ALA A  99
MET A 207
GLY A 194
 None
 1.04A 1nbhB-1ocmA:
undetectable		 1nbhB-1ocmA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r2j PROTEIN FKBI

(Streptomyces
hygroscopicus) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 GLY A 225
VAL A 229
ALA A 220
MET A  80
GLY A 348
 None
 1.03A 1nbhB-1r2jA:
undetectable		 1nbhB-1r2jA:
24.69
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
ALA A  86
SER A  87
MET A  90
TRP A 117
GLY A 137
HIS A 142
LEU A 143
 None
 0.74A 1nbhB-1r8yA:
35.1		 1nbhB-1r8yA:
95.55
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.
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
 1.14A 1nbhB-1uznA:
5.8		 1nbhB-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.
1vme FLAVOPROTEIN

(Thermotoga
maritima) 		PF00258
(Flavodoxin_1) 		5 ALA A 247
SER A 245
GLY A 172
LEU A 150
TYR A 190
 None
 1.07A 1nbhB-1vmeA:
undetectable		 1nbhB-1vmeA:
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.
1wls L-ASPARAGINASE

(Pyrococcus
horikoshii) 		PF00710
(Asparaginase) 		5 TYR A 168
ILE A 138
GLY A 322
HIS A 183
TYR A 139
 None
 1.11A 1nbhB-1wlsA:
undetectable		 1nbhB-1wlsA:
21.57
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.
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
 0.94A 1nbhB-1xfgA:
undetectable		 1nbhB-1xfgA:
20.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zg4 BETA-LACTAMASE TEM

(Escherichia
coli) 		PF13354
(Beta-lactamase2) 		5 ILE A 282
VAL A  44
ALA A 185
GLY A 245
LEU A  75
 None
 1.05A 1nbhB-1zg4A:
undetectable		 1nbhB-1zg4A:
23.75
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.
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
 0.86A 1nbhB-2a0uA:
3.3		 1nbhB-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.
2b5u COLICIN E3

(Escherichia
coli) 		PF03515
(Cloacin)
PF09000
(Cytotoxic)
PF11570
(E2R135) 		5 ILE A 196
VAL A 185
ALA A 121
GLY A  91
TYR A 137
 None
 1.06A 1nbhB-2b5uA:
undetectable		 1nbhB-2b5uA:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.01A 1nbhB-2dknA:
undetectable		 1nbhB-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.
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
 1.11A 1nbhB-2nxfA:
undetectable		 1nbhB-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.
2ozg GCN5-RELATED
N-ACETYLTRANSFERASE

(Trichormus
variabilis) 		PF13527
(Acetyltransf_9)
PF13530
(SCP2_2) 		5 ILE A  19
VAL A  41
ALA A  79
GLY A  61
LEU A 104
 None
 1.03A 1nbhB-2ozgA:
2.7		 1nbhB-2ozgA:
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.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 TYR A 352
ILE A 265
ALA A 380
SER A 381
LEU A 373
 None
 1.06A 1nbhB-2r66A:
undetectable		 1nbhB-2r66A:
20.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vbi PYRUVATE
DECARBOXYLASE

(Acetobacter
pasteurianus) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 294
ALA A 548
SER A 549
GLY A 263
LEU A 540
 None
 1.11A 1nbhB-2vbiA:
3.4		 1nbhB-2vbiA:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 0.99A 1nbhB-2wsbA:
7.9		 1nbhB-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.
2xdq LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B

(Thermosynechococcus
elongatus) 		PF00148
(Oxidored_nitro) 		6 TYR B   8
GLY B 375
VAL B 304
ALA B 395
GLY B 331
LEU B 132
 None
 1.50A 1nbhB-2xdqB:
4.1		 1nbhB-2xdqB:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cdx SUCCINYLGLUTAMATEDES
UCCINYLASE/ASPARTOAC
YLASE

(Rhodobacter
sphaeroides) 		PF04952
(AstE_AspA) 		5 GLY A 224
VAL A 220
ALA A 183
GLY A  68
LEU A 210
 None
 1.04A 1nbhB-3cdxA:
undetectable		 1nbhB-3cdxA:
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.
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
 0.85A 1nbhB-3d2uA:
undetectable		 1nbhB-3d2uA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3do6 FORMATE--TETRAHYDROF
OLATE LIGASE

(Thermotoga
maritima) 		PF01268
(FTHFS) 		5 ILE A  25
ALA A 195
SER A 269
GLY A 116
TYR A  21
 None
None
None
None
EDO  A 549 (-4.5A)
 1.07A 1nbhB-3do6A:
undetectable		 1nbhB-3do6A:
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.
3dzu PEROXISOME
PROLIFERATOR-ACTIVAT
ED RECEPTOR GAMMA

(Homo sapiens) 		PF00104
(Hormone_recep)
PF00105
(zf-C4) 		5 TYR D 327
ILE D 472
VAL D 293
ALA D 331
TYR D 473
 None
 1.00A 1nbhB-3dzuD:
undetectable		 1nbhB-3dzuD:
20.48
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.
3e9a 2-DEHYDRO-3-DEOXYPHO
SPHOOCTONATE
ALDOLASE

(Vibrio cholerae) 		PF00793
(DAHP_synth_1) 		5 ILE A 164
GLY A 235
VAL A  13
ALA A 225
LEU A 255
 None
 1.07A 1nbhB-3e9aA:
undetectable		 1nbhB-3e9aA:
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.
3fnb ACYLAMINOACYL
PEPTIDASE SMU_737

(Streptococcus
mutans) 		PF12146
(Hydrolase_4) 		5 ILE A  15
GLY A  31
GLY A 373
LEU A 336
TYR A  13
 None
 1.08A 1nbhB-3fnbA:
2.0		 1nbhB-3fnbA:
22.63
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.
3fsx TETRAHYDRODIPICOLINA
TE
N-SUCCINYLTRANSFERAS
E

(Mycobacterium
tuberculosis) 		PF14602
(Hexapep_2)
PF14789
(THDPS_M) 		5 ILE A 202
GLY A 215
VAL A 198
ALA A 258
LEU A 288
 None
 1.02A 1nbhB-3fsxA:
undetectable		 1nbhB-3fsxA:
24.93
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.
3fw8 RETICULINE OXIDASE

(Eschscholzia
californica) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 ILE A 175
GLY A 164
ALA A 336
GLY A 170
LEU A 349
 None
FAD  A   1 (-3.4A)
None
FAD  A   1 (-3.4A)
None
 1.08A 1nbhB-3fw8A:
undetectable		 1nbhB-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.
3hmj FATTY ACID SYNTHASE
SUBUNIT ALPHA

(Saccharomyces
cerevisiae) 		PF00109
(ketoacyl-synt)
PF01648
(ACPS)
PF02801
(Ketoacyl-synt_C) 		5 ILE A1599
VAL A1538
SER A 415
GLY A1635
HIS A 422
 None
 0.94A 1nbhB-3hmjA:
undetectable		 1nbhB-3hmjA:
9.72
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.
3hnr PROBABLE
METHYLTRANSFERASE
BT9727_4108

(Bacillus
thuringiensis) 		PF08241
(Methyltransf_11) 		5 GLY A  55
SER A  76
MET A  79
HIS A 118
LEU A 119
 None
 0.94A 1nbhB-3hnrA:
14.7		 1nbhB-3hnrA:
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.
3l2e GLYCOCYAMINE KINASE
ALPHA CHAIN

(Namalycastis
sp. ST01) 		PF00217
(ATP-gua_Ptrans)
PF02807
(ATP-gua_PtransN) 		5 ILE A 246
VAL A 238
ALA A 304
GLY A 267
LEU A 127
 None
 1.10A 1nbhB-3l2eA:
undetectable		 1nbhB-3l2eA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lkv UNCHARACTERIZED
CONSERVED DOMAIN
PROTEIN

(Vibrio cholerae) 		PF04392
(ABC_sub_bind) 		5 GLY A  94
VAL A 117
ALA A  31
GLY A 138
LEU A 277
 None
PHE  A 601 (-3.7A)
None
None
None
 1.09A 1nbhB-3lkvA:
undetectable		 1nbhB-3lkvA:
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.
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
 1.11A 1nbhB-3lylA:
7.6		 1nbhB-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.
3m8u HEME-BINDING PROTEIN
A

(Glaesserella
parasuis) 		PF00496
(SBP_bac_5) 		5 ILE A 414
GLY A 428
ALA A 499
GLY A 425
TYR A 413
 MLI  A   3 ( 3.9A)
GDS  A   1 (-3.6A)
None
None
None
 1.04A 1nbhB-3m8uA:
undetectable		 1nbhB-3m8uA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3no4 CREATININE
AMIDOHYDROLASE

(Nostoc
punctiforme) 		PF02633
(Creatininase) 		5 ILE A 114
SER A 171
GLY A  26
HIS A  31
LEU A  36
 None
None
None
NI  A 300 (-3.4A)
None
 1.09A 1nbhB-3no4A:
undetectable		 1nbhB-3no4A:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 0.97A 1nbhB-3nzuA:
undetectable		 1nbhB-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.
3pf0 IMELYSIN-LIKE
PROTEIN

(Psychrobacter
arcticus) 		PF09375
(Peptidase_M75) 		5 ILE A 172
GLY A 167
GLY A 195
LEU A 152
TYR A 213
 None
 0.95A 1nbhB-3pf0A:
undetectable		 1nbhB-3pf0A:
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.
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
 1.05A 1nbhB-3pigA:
undetectable		 1nbhB-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.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		5 TYR A  14
GLY A  60
SER A  81
MET A  84
LEU A 124
 SAH  A 263 ( 3.9A)
SAH  A 263 (-3.3A)
SAH  A 263 (-4.7A)
SAH  A 263 (-4.5A)
None
 0.93A 1nbhB-3px2A:
22.4		 1nbhB-3px2A:
25.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.02A 1nbhB-3q3qA:
undetectable		 1nbhB-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.
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
 1.10A 1nbhB-3rdeA:
undetectable		 1nbhB-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.
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)
 1.08A 1nbhB-3rkuA:
6.9		 1nbhB-3rkuA:
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.
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
 1.09A 1nbhB-3s4lA:
undetectable		 1nbhB-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.
3u02 PUTATIVE
TRANSCRIPTION-ASSOCI
ATED PROTEIN TFIIS

(Pyrococcus
furiosus) 		PF08489
(DUF1743) 		6 ILE A  21
VAL A  80
ALA A  33
SER A  30
GLY A   6
LEU A   2
 TPO  A  18 ( 4.2A)
None
None
None
None
None
 1.39A 1nbhB-3u02A:
undetectable		 1nbhB-3u02A:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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 1nbhB-3v2gA:
7.1		 1nbhB-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.
3v2i PEPTIDYL-TRNA
HYDROLASE

(Burkholderia
thailandensis) 		PF01195
(Pept_tRNA_hydro) 		5 ILE A  88
GLY A   7
ALA A  22
LEU A  95
TYR A 128
 None
 1.09A 1nbhB-3v2iA:
undetectable		 1nbhB-3v2iA:
22.67
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.
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
 1.09A 1nbhB-3wtbA:
6.8		 1nbhB-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.
3zdj ENCA BETA-LACTAMASE

(synthetic
construct) 		PF13354
(Beta-lactamase2) 		5 ILE A 282
VAL A  44
ALA A 185
GLY A 245
LEU A  75
 None
 1.00A 1nbhB-3zdjA:
undetectable		 1nbhB-3zdjA:
23.66
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.
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
 1.04A 1nbhB-4a9aA:
undetectable		 1nbhB-4a9aA:
23.91
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.
4as3 PHOSPHORYLCHOLINE
PHOSPHATASE

(Pseudomonas
aeruginosa) 		no annotation 5 ILE A 165
VAL A  29
ALA A 314
TRP A 318
GLY A 261
 None
 1.07A 1nbhB-4as3A:
2.6		 1nbhB-4as3A:
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.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ILE A 105
ALA A  67
SER A  69
GLY A  91
TYR A 118
 None
 1.02A 1nbhB-4c22A:
undetectable		 1nbhB-4c22A:
20.49
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.
4c22 L-FUCOSE ISOMERASE

(Streptococcus
pneumoniae) 		PF02952
(Fucose_iso_C)
PF07881
(Fucose_iso_N1)
PF07882
(Fucose_iso_N2) 		5 ILE A 105
ALA A  68
SER A  69
GLY A  91
TYR A 118
 None
 1.06A 1nbhB-4c22A:
undetectable		 1nbhB-4c22A:
20.49
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.
4e4y SHORT CHAIN
DEHYDROGENASE FAMILY
PROTEIN

(Francisella
tularensis) 		PF13561
(adh_short_C2) 		5 TYR A 137
ILE A  13
GLY A 123
SER A 140
GLY A 168
 GOL  A 306 (-4.8A)
None
None
None
GOL  A 306 (-4.7A)
 1.10A 1nbhB-4e4yA:
6.6		 1nbhB-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.
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 1nbhB-4fgsA:
7.8		 1nbhB-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.
4gf0 GLUTATHIONE
S-TRANSFERASE

(Sulfitobacter
sp. NAS-14.1) 		PF02798
(GST_N)
PF13410
(GST_C_2) 		5 GLY A  10
ALA A  15
SER A  13
HIS A 106
LEU A 101
 None
None
None
GSH  A 302 (-4.3A)
None
 0.99A 1nbhB-4gf0A:
undetectable		 1nbhB-4gf0A:
23.18
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.
4gp1 POLYPRENYL
SYNTHETASE

(Pyrobaculum
calidifontis) 		PF00348
(polyprenyl_synt) 		5 ILE A 178
GLY A 186
VAL A 181
ALA A 192
LEU A 327
 None
 0.95A 1nbhB-4gp1A:
undetectable		 1nbhB-4gp1A:
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.
4hfn ALLYL ALCOHOL
DEHYDROGENASE

(Nicotiana
tabacum) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 ILE A 120
GLY A 101
VAL A  82
GLY A 135
LEU A 283
 None
None
None
None
NAP  A 400 ( 4.3A)
 0.83A 1nbhB-4hfnA:
7.3		 1nbhB-4hfnA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hsu LYSINE-SPECIFIC
HISTONE DEMETHYLASE
1B

(Homo sapiens) 		PF01593
(Amino_oxidase)
PF04433
(SWIRM)
PF07496
(zf-CW) 		5 TYR A 779
VAL A 554
ALA A 650
GLY A 657
LEU A 632
 None
 1.05A 1nbhB-4hsuA:
3.3		 1nbhB-4hsuA:
17.76
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.
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)
 1.01A 1nbhB-4imrA:
6.9		 1nbhB-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.
4ine PROTEIN PMT-2

(Caenorhabditis
elegans) 		PF08241
(Methyltransf_11) 		5 TYR A 187
GLY A 234
SER A 256
MET A 259
HIS A 303
 SAH  A 501 ( 4.1A)
SAH  A 501 (-3.6A)
SAH  A 501 (-4.5A)
SAH  A 501 (-3.9A)
SAH  A 501 (-4.0A)
 0.61A 1nbhB-4ineA:
18.1		 1nbhB-4ineA:
20.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kri PHOSPHOLETHANOLAMINE
N-METHYLTRANSFERASE
2

(Haemonchus
contortus) 		PF08241
(Methyltransf_11) 		5 TYR A 183
GLY A 230
SER A 252
MET A 255
HIS A 299
 SAH  A 701 ( 4.2A)
SAH  A 701 (-3.5A)
SAH  A 701 (-4.7A)
SAH  A 701 (-3.9A)
SAH  A 701 (-4.2A)
 0.67A 1nbhB-4kriA:
18.5		 1nbhB-4kriA:
20.77
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.
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
 1.03A 1nbhB-4lvuA:
7.9		 1nbhB-4lvuA:
22.05
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.
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
 1.08A 1nbhB-4o9hL:
undetectable		 1nbhB-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.
4qiq D-XYLOSE-PROTON
SYMPORTER

(Escherichia
coli) 		PF00083
(Sugar_tr) 		5 TYR A 445
ILE A 293
ALA A 362
MET A 356
LEU A 307
 None
 0.91A 1nbhB-4qiqA:
undetectable		 1nbhB-4qiqA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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)
 1.10A 1nbhB-4ukdA:
undetectable		 1nbhB-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.
4wgg DOUBLE BOND
REDUCTASE

(Zingiber
officinale) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 ILE A 127
GLY A 108
VAL A  89
GLY A 142
LEU A 290
 None
None
None
None
CIY  A 401 ( 4.0A)
 0.92A 1nbhB-4wggA:
6.8		 1nbhB-4wggA:
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.
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)
 1.06A 1nbhB-4y7dA:
2.6		 1nbhB-4y7dA:
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.
5cd2 ENDO-1,4-D-GLUCANASE

(Aliivibrio
fischeri) 		PF01270
(Glyco_hydro_8) 		5 ILE A 346
VAL A 320
ALA A 266
GLY A 302
TYR A 342
 None
 0.96A 1nbhB-5cd2A:
undetectable		 1nbhB-5cd2A:
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.
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
 1.07A 1nbhB-5cejA:
7.5		 1nbhB-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.
5ezt CARBONIC ANHYDRASE 2

(Bos taurus) 		PF00194
(Carb_anhydrase) 		5 TYR X  50
ILE X 214
ALA X  47
GLY X 143
HIS X 121
 None
None
ALY  X  79 ( 3.4A)
None
None
 1.00A 1nbhB-5eztX:
undetectable		 1nbhB-5eztX:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f8e METHYLTRANSFERASE

(Mycobacterium
tuberculosis) 		PF13847
(Methyltransf_31) 		5 ILE A  51
VAL A  62
ALA A  25
MET A  69
GLY A  35
 None
 1.07A 1nbhB-5f8eA:
17.6		 1nbhB-5f8eA:
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.
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
 1.07A 1nbhB-5fg3A:
2.1		 1nbhB-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.
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)
 0.71A 1nbhB-5fubA:
8.2		 1nbhB-5fubA:
23.31
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA
T-COMPLEX PROTEIN 1
SUBUNIT EPSILON

(Saccharomyces
cerevisiae;
Saccharomyces
cerevisiae) 		PF00118
(Cpn60_TCP1)
PF00118
(Cpn60_TCP1) 		5 ILE e  83
VAL b 511
ALA b 100
SER b  99
LEU b  32
 None
 1.08A 1nbhB-5gw5e:
undetectable		 1nbhB-5gw5e:
21.37
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) 		6 GLY A  69
SER A  90
MET A  93
TRP A 115
GLY A 133
LEU A 139
 SAH  A 301 (-3.3A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.9A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 3.3A)
None
 0.76A 1nbhB-5h02A:
26.2		 1nbhB-5h02A:
30.48
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.
5hsi PUTATIVE
DECARBOXYLASE

(Lactobacillus
brevis) 		PF00282
(Pyridoxal_deC) 		5 TYR A 334
ILE A 403
ALA A 337
GLY A 138
HIS A 453
 None
 0.84A 1nbhB-5hsiA:
undetectable		 1nbhB-5hsiA:
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.
5j5d 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00701
(DHDPS) 		5 ILE A 211
GLY A 109
VAL A  50
GLY A  13
TYR A 192
 None
 1.10A 1nbhB-5j5dA:
undetectable		 1nbhB-5j5dA:
24.70
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.
5m41 NIGRITOXINE

(Vibrio
nigripulchritudo) 		no annotation 5 GLY A 480
ALA A 471
MET A 481
GLY A 567
HIS A 587
 None
 1.03A 1nbhB-5m41A:
undetectable		 1nbhB-5m41A:
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 1nbhB-5odsA:
2.6		 1nbhB-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
 1.09A 1nbhB-5ovkA:
6.2		 1nbhB-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)
 1.04A 1nbhB-5ovlA:
6.4		 1nbhB-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
 0.89A 1nbhB-5symA:
2.7		 1nbhB-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.
5sym ACYL-PROTEIN
THIOESTERASE 1

(Homo sapiens) 		PF02230
(Abhydrolase_2) 		5 ILE A 222
GLY A 116
VAL A  24
GLY A 138
LEU A 192
 None
 0.99A 1nbhB-5symA:
2.7		 1nbhB-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.
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)
 1.04A 1nbhB-5twbA:
2.7		 1nbhB-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 1nbhB-5u2wA:
6.5		 1nbhB-5u2wA:
21.12
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.
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
 1.06A 1nbhB-5ubkA:
undetectable		 1nbhB-5ubkA:
18.20
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.
5uzh NAFOA.00085.B

(Naegleria
fowleri) 		PF16363
(GDP_Man_Dehyd) 		5 VAL A 199
ALA A 189
GLY A 213
LEU A 341
TYR A 160
 None
 1.07A 1nbhB-5uzhA:
6.6		 1nbhB-5uzhA:
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.
5v51 PR-1 PROTEIN

(Moniliophthora
perniciosa) 		PF00188
(CAP) 		5 TYR A 151
VAL A  70
TRP A  59
HIS A  45
LEU A  42
 None
 1.10A 1nbhB-5v51A:
undetectable		 1nbhB-5v51A:
19.45
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.
5wp4 PHOSPHOETHANOLAMINE
N-METHYLTRANSFERASE
1

(Arabidopsis
thaliana) 		no annotation 5 TYR A 246
GLY A 292
SER A 314
MET A 317
HIS A 360
 SAH  A 703 ( 4.0A)
SAH  A 703 ( 3.7A)
SAH  A 703 (-4.5A)
SAH  A 703 (-3.8A)
SAH  A 703 (-4.0A)
 0.82A 1nbhB-5wp4A:
17.3		 1nbhB-5wp4A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.01A 1nbhB-5wvaA:
7.3		 1nbhB-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.
6btm ALTERNATIVE COMPLEX
III SUBUNIT B

(Flavobacterium
johnsoniae) 		no annotation 6 ILE B 478
GLY B 142
ALA B 138
SER B 139
TRP B 574
GLY B 916
 None
 1.28A 1nbhB-6btmB:
undetectable		 1nbhB-6btmB:
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.
6fnu METHYLENETETRAHYDROF
OLATE REDUCTASE 1

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 269
GLY A 217
ALA A 151
GLY A 282
LEU A 212
 None
 0.99A 1nbhB-6fnuA:
undetectable		 1nbhB-6fnuA:
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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		4 TRP A 439
ARG A 433
ASN A 406
SER A 336
 None
 1.39A 1nbhB-1b41A:
2.0		 1nbhB-1b41A:
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.
1wst MULTIPLE SUBSTRATE
AMINOTRANSFERASE

(Thermococcus
profundus) 		PF00155
(Aminotran_1_2) 		4 TRP A 265
ASP A 222
ASN A 194
SER A 226
 None
PLP  A 418 (-2.9A)
PLP  A 418 (-3.7A)
None
 1.07A 1nbhB-1wstA:
0.5		 1nbhB-1wstA:
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.
2ojh UNCHARACTERIZED
PROTEIN
ATU1656/AGR_C_3050

(Agrobacterium
fabrum) 		PF07676
(PD40) 		4 ARG A 147
ASP A  87
ASN A  57
SER A 108
 None
 1.23A 1nbhB-2ojhA:
0.9		 1nbhB-2ojhA:
23.26
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.
3ldo 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Homo sapiens) 		PF00012
(HSP70) 		4 ARG A 261
ASP A 250
ASN A 248
SER A 337
 None
 1.14A 1nbhB-3ldoA:
1.2		 1nbhB-3ldoA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pmk NUCLEOCAPSID PROTEIN

(Recombinant
vesicular
stomatitis
Indiana virus
rVSV-G/GFP) 		PF00945
(Rhabdo_ncap) 		4 ARG A 309
ASP A 392
ASN A 367
SER A 340
 None
 1.32A 1nbhB-3pmkA:
0.0		 1nbhB-3pmkA:
23.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fe2 PHOSPHORIBOSYLAMINOI
MIDAZOLE-SUCCINOCARB
OXAMIDE SYNTHASE

(Streptococcus
pneumoniae) 		PF01259
(SAICAR_synt) 		4 ARG A 214
ASP A 191
ASN A  80
SER A 194
 AIR  A 301 (-3.1A)
ADP  A 302 ( 3.9A)
None
None
 1.48A 1nbhB-4fe2A:
0.0		 1nbhB-4fe2A:
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.
4pxb UREIDOGLYCOLATE
HYDROLASE

(Arabidopsis
thaliana) 		PF01546
(Peptidase_M20) 		4 ARG A 353
ASP A 425
ASN A 118
SER A 191
 UGC  A 503 (-2.8A)
None
None
None
 1.41A 1nbhB-4pxbA:
0.0		 1nbhB-4pxbA:
23.06
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.
5wti CRISPR-ASSOCIATED
PROTEIN

(Bacillus
thermoamylovorans) 		no annotation 4 TRP Z 850
ARG Z 791
ASP Z 574
ASN Z 954
 None
None
MG  Z1202 (-2.3A)
None
 1.47A 1nbhB-5wtiZ:
1.8		 1nbhB-5wtiZ:
13.74
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.
5xwy A TYPE VI-A
CRISPR-CAS
RNA-GUIDED RNA
RIBONUCLEASE, CAS13A

(Leptotrichia
buccalis) 		no annotation 4 ARG A 185
ASP A1044
ASN A1070
SER A1076
 None
 1.26A 1nbhB-5xwyA:
0.0		 1nbhB-5xwyA:
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 4 TRP A 163
ASP A 174
ASN A 491
SER A 320
 None
 1.42A 1nbhB-6c93A:
undetectable		 1nbhB-6c93A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6eoe 78 KDA
GLUCOSE-REGULATED
PROTEIN

(Cricetulus
griseus) 		no annotation 4 ARG A 261
ASP A 250
ASN A 248
SER A 337
 None
 1.29A 1nbhB-6eoeA:
0.9		 1nbhB-6eoeA:
21.69