SIMILAR PATTERNS OF AMINO ACIDS FOR 2NYR_B_SVRB401

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.
1c8x ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE H

(Streptomyces
plicatus) 		PF00704
(Glyco_hydro_18) 		5 ALA A  45
ALA A 173
TYR A 136
ILE A  48
LEU A 156
 ALA  A  45 ( 0.0A)
ALA  A 173 ( 0.0A)
TYR  A 136 ( 1.3A)
ILE  A  48 ( 0.6A)
LEU  A 156 ( 0.6A)
 1.05A 2nyrA-1c8xA:
undetectable		 2nyrA-1c8xA:
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.
1cpc C-PHYCOCYANIN (ALPHA
SUBUNIT)

(Microchaete
diplosiphon) 		PF00502
(Phycobilisome) 		5 THR A  96
ALA A  52
ALA A  55
ILE A 166
LEU A 173
 None
 1.15A 2nyrA-1cpcA:
undetectable		 2nyrA-1cpcA:
19.78
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.
1d4e FLAVOCYTOCHROME C
FUMARATE REDUCTASE

(Shewanella
oneidensis) 		PF00890
(FAD_binding_2)
PF14537
(Cytochrom_c3_2) 		5 ALA A 532
THR A 536
ALA A 353
ALA A 351
ILE A 131
 None
None
None
None
FAD  A 600 ( 4.7A)
 0.99A 2nyrA-1d4eA:
2.6		 2nyrA-1d4eA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dbi AK.1 SERINE PROTEASE

(Bacillus sp.
Ak1) 		PF00082
(Peptidase_S8) 		5 ALA A 205
THR A  18
ALA A  94
ALA A 237
ILE A 253
 None
 1.21A 2nyrA-1dbiA:
undetectable		 2nyrA-1dbiA:
21.84
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.
1evl THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon) 		5 ALA A 565
ALA A 538
ILE A 632
LEU A 640
MET A 619
 None
 1.02A 2nyrA-1evlA:
undetectable		 2nyrA-1evlA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1khw RNA-DIRECTED RNA
POLYMERASE

(Rabbit
hemorrhagic
disease virus) 		PF00680
(RdRP_1) 		5 ALA A 492
ALA A 461
ARG A 499
PHE A 468
LEU A 426
 None
 1.04A 2nyrA-1khwA:
undetectable		 2nyrA-1khwA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mpt M-PROTEASE

(Bacillus
clausii) 		PF00082
(Peptidase_S8) 		5 ALA A 223
ALA A 270
ALA A 273
ILE A 198
LEU A 148
 None
 1.15A 2nyrA-1mptA:
undetectable		 2nyrA-1mptA:
22.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nl3 PREPROTEIN
TRANSLOCASE SECA 1
SUBUNIT

(Mycobacterium
tuberculosis) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 ALA A 135
THR A 129
ALA A 205
PHE A 362
TYR A 361
 None
 1.01A 2nyrA-1nl3A:
undetectable		 2nyrA-1nl3A:
13.58
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.
1qf6 THREONYL-TRNA
SYNTHETASE

(Escherichia
coli) 		PF00587
(tRNA-synt_2b)
PF02824
(TGS)
PF03129
(HGTP_anticodon)
PF07973
(tRNA_SAD) 		5 ALA A 565
ALA A 538
ILE A 632
LEU A 640
MET A 619
 None
 1.11A 2nyrA-1qf6A:
undetectable		 2nyrA-1qf6A:
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.
1qup SUPEROXIDE DISMUTASE
1 COPPER CHAPERONE

(Saccharomyces
cerevisiae) 		PF00080
(Sod_Cu)
PF00403
(HMA) 		5 ALA A  80
THR A 182
ALA A 178
ILE A  70
PHE A 153
 None
 1.15A 2nyrA-1qupA:
undetectable		 2nyrA-1qupA:
23.79
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s5p NAD-DEPENDENT
DEACETYLASE

(Escherichia
coli) 		PF02146
(SIR2) 		6 ALA A  49
THR A  59
ALA A  76
PHE A  91
TYR A  92
ILE A 131
 None
 0.90A 2nyrA-1s5pA:
18.8		 2nyrA-1s5pA:
36.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1s5p NAD-DEPENDENT
DEACETYLASE

(Escherichia
coli) 		PF02146
(SIR2) 		6 THR A  59
ALA A  76
PHE A  91
TYR A  92
ILE A 131
PHE A 190
 None
 0.93A 2nyrA-1s5pA:
18.8		 2nyrA-1s5pA:
36.50
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.
1ve1 O-ACETYLSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 ALA A 127
THR A  91
ALA A 109
ALA A  78
LEU A  57
 None
 1.16A 2nyrA-1ve1A:
2.8		 2nyrA-1ve1A:
23.38
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.
1xfk FORMIMIDOYLGLUTAMASE

(Vibrio cholerae) 		PF00491
(Arginase) 		5 ALA A 323
ALA A  75
ALA A 312
ILE A 298
LEU A 276
 None
 1.04A 2nyrA-1xfkA:
3.8		 2nyrA-1xfkA:
23.46
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		5 ALA A 223
ALA A 302
PHE A 298
LEU A  87
TYR A 161
 None
 1.10A 2nyrA-1ygpA:
undetectable		 2nyrA-1ygpA:
15.80
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.
1yrz XYLAN
BETA-1,4-XYLOSIDASE

(Bacillus
halodurans) 		PF04616
(Glyco_hydro_43) 		5 ALA A1264
THR A1282
ILE A1005
LEU A1313
TYR A1026
 None
 1.19A 2nyrA-1yrzA:
undetectable		 2nyrA-1yrzA:
18.01
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.
1zfj INOSINE
MONOPHOSPHATE
DEHYDROGENASE

(Streptococcus
pyogenes) 		PF00478
(IMPDH)
PF00571
(CBS) 		5 THR A 339
ALA A 342
ALA A 355
ILE A 456
LEU A 441
 None
 1.08A 2nyrA-1zfjA:
undetectable		 2nyrA-1zfjA:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ayn UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 14

(Homo sapiens) 		PF00443
(UCH) 		5 ALA A 131
ALA A 321
ALA A 406
ILE A 217
PHE A 405
 None
 1.07A 2nyrA-2aynA:
undetectable		 2nyrA-2aynA:
18.73
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.
2gou OXIDOREDUCTASE,
FMN-BINDING

(Shewanella
oneidensis) 		PF00724
(Oxidored_FMN) 		5 ALA A 182
ALA A 167
ALA A 170
LEU A  53
TYR A 266
 None
 1.18A 2nyrA-2gouA:
undetectable		 2nyrA-2gouA:
22.75
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.
2ipc PREPROTEIN
TRANSLOCASE SECA
SUBUNIT

(Thermus
thermophilus) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 THR A 119
ALA A 112
TYR A 144
LEU A 179
TYR A 378
 None
 0.91A 2nyrA-2ipcA:
2.2		 2nyrA-2ipcA:
14.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ixm SERINE/THREONINE-PRO
TEIN PHOSPHATASE 2A
REGULATORY SUBUNIT
B'

(Homo sapiens) 		PF03095
(PTPA) 		5 THR A 153
ALA A 160
PHE A 185
ILE A 221
TYR A  45
 None
 1.20A 2nyrA-2ixmA:
undetectable		 2nyrA-2ixmA:
22.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o2a HYPOTHETICAL PROTEIN
GBS1413

(Streptococcus
agalactiae) 		PF06619
(DUF1149) 		5 ALA A   0
ALA A  96
ALA A  53
ARG A   5
ILE A  76
 None
 1.16A 2nyrA-2o2aA:
undetectable		 2nyrA-2o2aA:
19.23
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.
2o7r CXE CARBOXYLESTERASE

(Actinidia
eriantha) 		PF07859
(Abhydrolase_3) 		5 ALA A 139
ALA A 178
ILE A 194
PHE A  89
MET A 111
 None
 1.20A 2nyrA-2o7rA:
2.2		 2nyrA-2o7rA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oew PROGRAMMED CELL
DEATH 6-INTERACTING
PROTEIN

(Homo sapiens) 		PF03097
(BRO1) 		5 ALA A 170
THR A 166
ALA A 159
ALA A 128
ILE A 179
 None
 1.15A 2nyrA-2oewA:
undetectable		 2nyrA-2oewA:
21.16
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.
2q1y CELL DIVISION
PROTEIN FTSZ

(Mycobacterium
tuberculosis) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 ALA A 309
ALA A 238
ALA A 275
ILE A 289
LEU A 197
 None
 1.18A 2nyrA-2q1yA:
6.1		 2nyrA-2q1yA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r62 CELL DIVISION
PROTEASE FTSH
HOMOLOG

(Helicobacter
pylori) 		PF00004
(AAA) 		5 ALA A 316
ALA A 315
ILE A 274
PHE A 267
LEU A 254
 None
 1.08A 2nyrA-2r62A:
undetectable		 2nyrA-2r62A:
22.88
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.
2vda TRANSLOCASE SUBUNIT
SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 ALA A 136
THR A 130
ALA A 206
PHE A 381
TYR A 380
 None
 1.16A 2nyrA-2vdaA:
2.3		 2nyrA-2vdaA:
16.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w3z PUTATIVE DEACETYLASE

(Streptococcus
mutans) 		PF01522
(Polysacc_deac_1) 		5 THR A 207
ALA A  87
ALA A  83
ILE A 157
LEU A 126
 None
 1.14A 2nyrA-2w3zA:
undetectable		 2nyrA-2w3zA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xcm CYTOSOLIC HEAT SHOCK
PROTEIN 90

(Hordeum vulgare) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 THR A 139
ALA A 129
PHE A 126
ILE A  79
LEU A 187
 None
 1.06A 2nyrA-2xcmA:
undetectable		 2nyrA-2xcmA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yjn DTDP-4-KETO-6-DEOXY-
HEXOSE 3,4-ISOMERASE

(Saccharopolyspora
erythraea) 		PF00067
(p450) 		5 THR B  88
ALA B 299
ALA B 298
LEU B 196
TYR B  50
 None
 1.15A 2nyrA-2yjnB:
undetectable		 2nyrA-2yjnB:
20.65
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.
2z04 PHOSPHORIBOSYLAMINOI
MIDAZOLE CARBOXYLASE
ATPASE SUBUNIT

(Aquifex
aeolicus) 		PF02222
(ATP-grasp) 		5 ALA A 252
THR A 235
ALA A 277
ILE A 230
LEU A  80
 None
 0.98A 2nyrA-2z04A:
4.9		 2nyrA-2z04A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b96 VERY LONG-CHAIN
SPECIFIC ACYL-COA
DEHYDROGENASE

(Homo sapiens) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		5 ALA A 376
ALA A 293
PHE A 174
PHE A 290
MET A 438
 None
None
MYA  A   1 (-4.8A)
None
None
 1.22A 2nyrA-3b96A:
undetectable		 2nyrA-3b96A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bjd PUTATIVE
3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE

(Pseudomonas
aeruginosa) 		PF14515
(HOASN)
PF14518
(Haem_oxygenas_2) 		5 ALA A 173
ALA A 238
PHE A 298
ARG A 292
LEU A 154
 None
 1.20A 2nyrA-3bjdA:
undetectable		 2nyrA-3bjdA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bn1 PEROSAMINE
SYNTHETASE

(Caulobacter
vibrioides) 		PF01041
(DegT_DnrJ_EryC1) 		5 ALA A 178
ALA A 158
PHE A 180
LEU A 251
TYR A  48
 None
 0.96A 2nyrA-3bn1A:
undetectable		 2nyrA-3bn1A:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bwm CATECHOL
O-METHYLTRANSFERASE

(Homo sapiens) 		PF01596
(Methyltransf_3) 		5 ALA A  67
THR A  99
ALA A 106
ALA A  22
MET A 137
 None
 1.07A 2nyrA-3bwmA:
4.7		 2nyrA-3bwmA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3c2u XYLOSIDASE/ARABINOSI
DASE

(Selenomonas
ruminantium) 		PF04616
(Glyco_hydro_43)
PF07081
(DUF1349) 		5 ALA A 262
THR A 292
ILE A   3
LEU A 321
TYR A  24
 None
 1.19A 2nyrA-3c2uA:
undetectable		 2nyrA-3c2uA:
18.57
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.
3fbs OXIDOREDUCTASE

(Agrobacterium
fabrum) 		PF07992
(Pyr_redox_2) 		5 ALA A 267
THR A 249
ALA A 286
ALA A 287
LEU A  30
 None
 1.15A 2nyrA-3fbsA:
3.3		 2nyrA-3fbsA:
24.47
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.
3h4p PROTEASOME SUBUNIT
BETA

(Methanocaldococcus
jannaschii) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 ALA a  52
THR a   7
ALA a 143
ALA a 167
LEU a 118
 None
 1.14A 2nyrA-3h4pa:
undetectable		 2nyrA-3h4pa:
19.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ib3 COCE/NOND FAMILY
HYDROLASE

(Staphylococcus
aureus) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 ALA A  73
THR A 174
ALA A 188
ILE A 150
PHE A 316
 None
 1.03A 2nyrA-3ib3A:
undetectable		 2nyrA-3ib3A:
18.00
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.
3jux PROTEIN TRANSLOCASE
SUBUNIT SECA

(Thermotoga
maritima) 		PF00271
(Helicase_C)
PF01043
(SecA_PP_bind)
PF07516
(SecA_SW)
PF07517
(SecA_DEAD) 		5 ALA A 129
THR A 123
ALA A 249
PHE A 406
TYR A 405
 None
 1.15A 2nyrA-3juxA:
undetectable		 2nyrA-3juxA:
14.53
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.
3lca PROTEIN TOM71

(Saccharomyces
cerevisiae) 		PF00515
(TPR_1)
PF13181
(TPR_8)
PF14559
(TPR_19) 		5 ALA A 364
THR A 387
PHE A 401
PHE A 276
LEU A 346
 None
 1.17A 2nyrA-3lcaA:
undetectable		 2nyrA-3lcaA:
19.73
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.
3llx PREDICTED AMINO ACID
ALDOLASE OR RACEMASE

(Idiomarina
loihiensis) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		5 ALA A 194
ALA A 158
ILE A 147
PHE A 165
LEU A 111
 None
 1.16A 2nyrA-3llxA:
undetectable		 2nyrA-3llxA:
20.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mgz 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00926
(DHBP_synthase) 		5 ALA A  92
THR A 107
ALA A  38
ALA A 160
LEU A  71
 None
 1.09A 2nyrA-3mgzA:
undetectable		 2nyrA-3mgzA:
23.47
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.
3n0t DIPEPTIDYL PEPTIDASE
2

(Homo sapiens) 		PF05577
(Peptidase_S28) 		5 ALA A 310
ALA A 262
ILE A 303
PHE A 261
LEU A 249
 None
 1.10A 2nyrA-3n0tA:
undetectable		 2nyrA-3n0tA:
19.04
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.
3n0t DIPEPTIDYL PEPTIDASE
2

(Homo sapiens) 		PF05577
(Peptidase_S28) 		5 THR A 304
ALA A 310
ALA A 262
ILE A 227
PHE A 261
 None
 1.08A 2nyrA-3n0tA:
undetectable		 2nyrA-3n0tA:
19.04
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.
3n2t PUTATIVE
OXIDOREDUCTASE

(Gluconobacter
oxydans) 		PF00248
(Aldo_ket_red) 		5 THR A  13
ALA A 156
ALA A 177
ILE A   6
LEU A 281
 None
 1.21A 2nyrA-3n2tA:
undetectable		 2nyrA-3n2tA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oit OS07G0271500 PROTEIN

(Oryza sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ALA A 180
THR A 140
ALA A 116
ALA A 119
ILE A 356
 None
 1.04A 2nyrA-3oitA:
undetectable		 2nyrA-3oitA:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		5 ALA A 134
THR A 210
ALA A 236
ILE A 128
PHE A 116
 None
 1.07A 2nyrA-3omnA:
undetectable		 2nyrA-3omnA:
19.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oqp PUTATIVE
ISOCHORISMATASE

(Paraburkholderia
xenovorans) 		PF00857
(Isochorismatase) 		5 ALA A  39
THR A 178
ALA A 174
ALA A 173
LEU A 103
 None
 1.18A 2nyrA-3oqpA:
6.0		 2nyrA-3oqpA:
23.40
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.
3qki GLUCOSE-6-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF00342
(PGI) 		5 THR A 507
ALA A 169
PHE A 165
ILE A 428
LEU A 450
 None
 1.20A 2nyrA-3qkiA:
3.6		 2nyrA-3qkiA:
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.
3qp9 TYPE I POLYKETIDE
SYNTHASE PIKAII

(Streptomyces
venezuelae) 		PF08659
(KR) 		5 ALA A  94
ALA A 179
ALA A 183
ILE A 173
LEU A  50
 None
 1.21A 2nyrA-3qp9A:
3.0		 2nyrA-3qp9A:
21.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qtp ENOLASE 1

(Entamoeba
histolytica) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ALA A 228
THR A 186
ALA A 401
ILE A 194
LEU A 161
 None
 1.19A 2nyrA-3qtpA:
undetectable		 2nyrA-3qtpA:
20.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tdu DCN1-LIKE PROTEIN 1

(Homo sapiens) 		PF03556
(Cullin_binding) 		5 ALA A 106
ALA A 111
PHE A 117
PHE A 160
LEU A 173
 None
 1.20A 2nyrA-3tduA:
undetectable		 2nyrA-3tduA:
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.
3tqk PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Francisella
tularensis) 		PF00793
(DAHP_synth_1) 		5 ALA A  49
ALA A 181
ALA A 208
PHE A 190
LEU A 259
 None
 1.19A 2nyrA-3tqkA:
undetectable		 2nyrA-3tqkA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wqu CELL DIVISION
PROTEIN FTSA

(Staphylococcus
aureus) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 ALA A 362
THR A 365
ALA A 215
TYR A 217
ILE A 192
 None
 1.15A 2nyrA-3wquA:
undetectable		 2nyrA-3wquA:
17.58
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.
3zgj 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE

(Streptomyces
coelicolor) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		5 ALA A 109
ALA A 201
ILE A 231
PHE A 197
LEU A 235
 None
 1.22A 2nyrA-3zgjA:
undetectable		 2nyrA-3zgjA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zgj 4-HYDROXYPHENYLPYRUV
IC ACID DIOXYGENASE

(Streptomyces
coelicolor) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		5 THR A 134
ALA A 114
PHE A 202
TYR A 198
ILE A 141
 None
 1.20A 2nyrA-3zgjA:
undetectable		 2nyrA-3zgjA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4em6 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Brucella
melitensis) 		no annotation 5 ALA D 236
ALA D 221
ALA D 218
ILE D 253
LEU D 277
 None
 1.14A 2nyrA-4em6D:
3.8		 2nyrA-4em6D:
18.94
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.
4evz HISF-LUCA

(synthetic
construct) 		PF00977
(His_biosynth) 		5 ALA A 221
ALA A 222
PHE A 214
ILE A 235
LEU A  10
 None
 1.02A 2nyrA-4evzA:
undetectable		 2nyrA-4evzA:
25.09
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.
4fdd TRANSPORTIN-1

(Homo sapiens) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 ALA A 505
THR A 547
ILE A 522
PHE A 530
LEU A 490
 None
 1.10A 2nyrA-4fddA:
undetectable		 2nyrA-4fddA:
15.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g1c NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		7 ALA A  59
THR A  69
ALA A  86
PHE A 101
TYR A 102
ILE A 142
LEU A 227
 CNA  A 402 (-3.0A)
CNA  A 402 (-3.8A)
None
None
None
CNA  A 402 (-4.7A)
None
 0.88A 2nyrA-4g1cA:
37.7		 2nyrA-4g1cA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g1c NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		6 THR A  69
ALA A  82
ALA A  86
TYR A 102
ILE A 142
LEU A 227
 CNA  A 402 (-3.8A)
None
None
None
CNA  A 402 (-4.7A)
None
 1.07A 2nyrA-4g1cA:
37.7		 2nyrA-4g1cA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g1c NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		7 THR A  69
ALA A  86
PHE A 101
TYR A 102
ILE A 142
PHE A 223
LEU A 227
 CNA  A 402 (-3.8A)
None
None
None
CNA  A 402 (-4.7A)
None
None
 0.95A 2nyrA-4g1cA:
37.7		 2nyrA-4g1cA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gao DCN1-LIKE PROTEIN 2

(Homo sapiens) 		PF03556
(Cullin_binding) 		5 ALA A 106
ALA A 111
PHE A 117
PHE A 160
LEU A 173
 None
 1.21A 2nyrA-4gaoA:
undetectable		 2nyrA-4gaoA:
21.67
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.
4gqt HEAT SHOCK PROTEIN
90

(Caenorhabditis
elegans) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 THR A 139
ALA A 129
PHE A 126
ILE A  79
LEU A 186
 None
 1.05A 2nyrA-4gqtA:
undetectable		 2nyrA-4gqtA:
19.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k1p NHEA

(Bacillus cereus) 		PF05791
(Bacillus_HBL) 		5 ALA A 189
THR A 192
ALA A  37
ILE A 252
LEU A 259
 None
 1.04A 2nyrA-4k1pA:
undetectable		 2nyrA-4k1pA:
23.62
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.
4qdi UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D-ALANINE LIGASE

(Acinetobacter
baumannii) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 ALA A 407
ALA A 354
ALA A 353
ARG A 351
ILE A 371
 None
 0.98A 2nyrA-4qdiA:
3.5		 2nyrA-4qdiA:
20.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 ALA A  21
THR A  31
ALA A  48
TYR A  64
LEU A 163
 None
 1.03A 2nyrA-4twiA:
27.5		 2nyrA-4twiA:
39.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 THR A  31
ALA A  48
TYR A  64
PHE A 159
LEU A 163
 None
 1.12A 2nyrA-4twiA:
27.5		 2nyrA-4twiA:
39.57
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.
4x3m RNA 2'-O RIBOSE
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF00588
(SpoU_methylase) 		5 ALA A 186
THR A 242
ALA A 130
ALA A 135
LEU A 176
 ADN  A 301 ( 4.1A)
ADN  A 301 (-3.5A)
None
None
None
 1.05A 2nyrA-4x3mA:
3.1		 2nyrA-4x3mA:
22.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x9l HEAT SHOCK PROTEIN

(Oryza sativa) 		PF00183
(HSP90)
PF02518
(HATPase_c) 		5 THR A 139
ALA A 129
PHE A 126
ILE A  79
LEU A 187
 PG4  A 302 ( 4.2A)
None
None
None
None
 1.12A 2nyrA-4x9lA:
undetectable		 2nyrA-4x9lA:
21.58
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.
4xq7 2'-5'-OLIGOADENYLATE
SYNTHASE-LIKE
PROTEIN

(Homo sapiens) 		PF10421
(OAS1_C) 		5 ALA A 243
THR A 262
ALA A 326
ALA A 323
ILE A 273
 None
 1.13A 2nyrA-4xq7A:
undetectable		 2nyrA-4xq7A:
20.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xr9 CALS8

(Micromonospora
echinospora) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 ALA A  20
THR A  25
ALA A  32
ALA A  36
ILE A  92
 None
 0.95A 2nyrA-4xr9A:
4.1		 2nyrA-4xr9A:
22.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		5 ALA A 168
THR A 197
ALA A  13
LEU A 127
TYR A 116
 None
 1.21A 2nyrA-4yjiA:
undetectable		 2nyrA-4yjiA:
21.00
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.
4zze SUGAR BINDING
PROTEIN OF ABC
TRANSPORTER SYSTEM

(Bifidobacterium
animalis) 		PF01547
(SBP_bac_1) 		5 ALA A 312
THR A 228
ALA A 166
PHE A 307
MET A 196
 None
 1.21A 2nyrA-4zzeA:
undetectable		 2nyrA-4zzeA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bn4 V-TYPE ATP SYNTHASE
ALPHA CHAIN

(Nanoarchaeum
equitans) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N)
PF16886
(ATP-synt_ab_Xtn) 		5 ALA A 237
PHE A 356
TYR A 357
ILE A 376
LEU A 404
 None
 1.07A 2nyrA-5bn4A:
undetectable		 2nyrA-5bn4A:
17.07
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.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 ALA A 290
ALA A 201
ALA A 110
ILE A  95
PHE A 109
 None
 1.19A 2nyrA-5fp1A:
undetectable		 2nyrA-5fp1A:
15.69
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.
5fv4 CARBOXYLIC ESTER
HYDROLASE

(Sus scrofa) 		PF00135
(COesterase) 		5 ALA A 421
ALA A 219
ILE A 317
PHE A 223
TYR A 328
 None
 1.17A 2nyrA-5fv4A:
undetectable		 2nyrA-5fv4A:
20.19
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.
5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ALA A 215
ALA A 405
ALA A 408
ILE A 191
LEU A 151
 None
None
None
KCX  A 192 ( 3.8A)
None
 1.11A 2nyrA-5hqlA:
undetectable		 2nyrA-5hqlA:
20.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i4k MANGANESE-BINDING
LIPOPROTEIN MNTA

(Listeria
monocytogenes) 		PF01297
(ZnuA) 		5 ALA A 284
ALA A 208
ILE A  41
PHE A 209
LEU A 145
 None
MN  A 501 ( 4.6A)
None
None
None
 1.00A 2nyrA-5i4kA:
undetectable		 2nyrA-5i4kA:
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.
5ito NOPALINE-BINDING
PERIPLASMIC PROTEIN

(Agrobacterium
fabrum) 		PF00497
(SBP_bac_3) 		5 THR A 168
PHE A 108
ARG A 102
ILE A  80
LEU A  51
 6DB  A 304 ( 4.1A)
None
6DB  A 304 (-2.8A)
None
None
 1.21A 2nyrA-5itoA:
undetectable		 2nyrA-5itoA:
18.47
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.
5k9t PROTEIN TRANSLOCASE
SUBUNIT SECA

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF07517
(SecA_DEAD) 		5 ALA A 136
THR A 130
ALA A 206
PHE A 381
TYR A 380
 None
 1.18A 2nyrA-5k9tA:
2.4		 2nyrA-5k9tA:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kyu PROTEIN TRANSPORT
PROTEIN SEC24D

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 THR B 298
ALA B 880
ILE B 302
LEU B 766
TYR B 318
 None
 1.19A 2nyrA-5kyuB:
3.2		 2nyrA-5kyuB:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lp7 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
subtilis) 		no annotation 5 ALA H 376
ALA H 353
PHE H  14
ARG H 357
LEU H 259
 None
 1.18A 2nyrA-5lp7H:
undetectable		 2nyrA-5lp7H:
22.89
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 5 ALA A 779
ALA A 761
ALA A 763
ILE A 787
LEU A 846
 None
 1.18A 2nyrA-5nd1A:
undetectable		 2nyrA-5nd1A:
13.97
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.
5v2m MEVALONATE
DIPHOSPHATE
DECARBOXYLASE

(Enterococcus
faecalis) 		no annotation 5 ALA A 104
THR A  10
ALA A 150
ALA A 163
MET A 195
 None
None
None
None
SO4  A 401 ( 4.4A)
 1.12A 2nyrA-5v2mA:
undetectable		 2nyrA-5v2mA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wkh T-CELL RECEPTOR
ALPHA VARIABLE
30,T-CELL RECEPTOR,
SP3.4 ALPHA CHAIN

(Homo sapiens) 		PF07686
(V-set)
PF09291
(DUF1968) 		5 ALA D 130
THR D 148
ALA D 186
ILE D 204
PHE D 193
 None
 1.13A 2nyrA-5wkhD:
undetectable		 2nyrA-5wkhD:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wy3 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 5 ALA A 129
ALA A 121
TYR A 168
PHE A 239
LEU A 260
 None
 1.14A 2nyrA-5wy3A:
undetectable		 2nyrA-5wy3A:
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.
5xde THERMOPHILIC
DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME C

(Paenibacillus
sp. A11-2) 		PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		5 ALA A  81
ALA A 313
ALA A 317
ILE A 254
LEU A  57
 None
 1.20A 2nyrA-5xdeA:
undetectable		 2nyrA-5xdeA:
22.35
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.
5xk2 DIACYLGLYCEROL
LIPASE

(Aspergillus
oryzae) 		no annotation 5 ALA A 116
ALA A 180
ALA A 177
ILE A 192
LEU A 166
 None
 1.14A 2nyrA-5xk2A:
undetectable		 2nyrA-5xk2A:
15.10
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 5 THR A 738
ALA A 745
ALA A 811
PHE A 751
ILE A 797
 None
 1.13A 2nyrA-5xqoA:
undetectable		 2nyrA-5xqoA:
13.26
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.
5ysm CYTOCHROME P450

(Amycolatopsis
mediterranei) 		no annotation 5 THR A 242
ALA A 237
ALA A 235
ILE A 228
LEU A 367
 None
None
None
None
HEM  A 501 ( 4.2A)
 1.12A 2nyrA-5ysmA:
undetectable		 2nyrA-5ysmA:
17.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bwy DU-EDITING ENZYME
APOBEC-3G FUSION
PROTECTION OF
TELOMERES PROTEIN 1,
DNA DC->

(Homo sapiens;
Schizosaccharomyces
pombe) 		no annotation 5 ALA A 296
THR A 327
ALA A 321
ILE A 335
LEU A 220
 None
 1.20A 2nyrA-6bwyA:
undetectable		 2nyrA-6bwyA:
15.89
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.
6cv0 SPIKE GLYCOPROTEIN

(Avian
coronavirus) 		no annotation 5 THR A 682
ALA A 756
ALA A 759
ILE A 677
PHE A 760
 None
 1.04A 2nyrA-6cv0A:
undetectable		 2nyrA-6cv0A:
16.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Danio rerio) 		no annotation 6 ALA A  55
ALA A  78
ALA A  82
TYR A  98
PHE A 219
LEU A 223
 BJW  A 303 (-3.5A)
None
BJW  A 303 ( 4.7A)
BJW  A 303 (-4.4A)
BJW  A 303 (-4.1A)
None
 1.04A 2nyrA-6enxA:
34.5		 2nyrA-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Danio rerio) 		no annotation 6 ALA A  55
ALA A  82
TYR A  98
ILE A 138
PHE A 219
LEU A 223
 BJW  A 303 (-3.5A)
BJW  A 303 ( 4.7A)
BJW  A 303 (-4.4A)
BJW  A 303 (-3.9A)
BJW  A 303 (-4.1A)
None
 0.82A 2nyrA-6enxA:
34.5		 2nyrA-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Danio rerio) 		no annotation 5 ALA A  55
THR A  65
ALA A  82
TYR A  98
PHE A 219
 BJW  A 303 (-3.5A)
BJW  A 303 (-4.0A)
BJW  A 303 ( 4.7A)
BJW  A 303 (-4.4A)
BJW  A 303 (-4.1A)
 0.94A 2nyrA-6enxA:
34.5		 2nyrA-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Danio rerio) 		no annotation 6 ALA A  82
PHE A  97
TYR A  98
ILE A 138
PHE A 219
LEU A 223
 BJW  A 303 ( 4.7A)
None
BJW  A 303 (-4.4A)
BJW  A 303 (-3.9A)
BJW  A 303 (-4.1A)
None
 0.43A 2nyrA-6enxA:
34.5		 2nyrA-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Danio rerio) 		no annotation 5 THR A  65
ALA A  82
PHE A  97
TYR A  98
PHE A 219
 BJW  A 303 (-4.0A)
BJW  A 303 ( 4.7A)
None
BJW  A 303 (-4.4A)
BJW  A 303 (-4.1A)
 0.62A 2nyrA-6enxA:
34.5		 2nyrA-6enxA:
74.91
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.
6eom MUTT/NUDIX FAMILY
PROTEIN

(Caldithrix
abyssi) 		no annotation 5 THR A 231
ALA A 196
ALA A 192
ILE A 257
LEU A 554
 CL  A 602 (-4.6A)
None
None
None
None
 1.11A 2nyrA-6eomA:
undetectable		 2nyrA-6eomA:
13.96
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.
1dnp DNA PHOTOLYASE

(Escherichia
coli) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		4 ARG A  75
ASN A  94
ASN A 102
LEU A  19
 None
 1.28A 2nyrA-1dnpA:
1.5		 2nyrA-1dnpA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		4 PHE A 474
GLN A 456
ASN A 468
LEU A 439
 None
 1.18A 2nyrA-1gz7A:
0.4		 2nyrA-1gz7A:
18.57
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.
1mox EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		4 GLN A  81
ASN A 115
ASN A  86
LEU A 120
 None
 1.14A 2nyrA-1moxA:
undetectable		 2nyrA-1moxA:
19.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		4 ARG A 498
ASN A 504
ASN A 268
LEU A 217
 None
 1.29A 2nyrA-1ofeA:
undetectable		 2nyrA-1ofeA:
11.03
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.
1p9m INTERLEUKIN-6
RECEPTOR ALPHA CHAIN
INTERLEUKIN-6
RECEPTOR BETA CHAIN

(Homo sapiens) 		PF00041
(fn3)
PF06328
(Lep_receptor_Ig)
PF09240
(IL6Ra-bind) 		4 PHE A 275
GLN A 249
ASN A 236
ASN C 211
 None
 1.29A 2nyrA-1p9mA:
undetectable		 2nyrA-1p9mA:
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.
1r20 ECDYSONE RECEPTOR

(Heliothis
virescens) 		PF00104
(Hormone_recep) 		4 ARG D 387
ASN D 400
ASN D 504
LEU D 522
 None
None
HWG  D2000 (-3.0A)
None
 1.26A 2nyrA-1r20D:
undetectable		 2nyrA-1r20D:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rxw FLAP
STRUCTURE-SPECIFIC
ENDONUCLEASE

(Archaeoglobus
fulgidus) 		PF00752
(XPG_N)
PF00867
(XPG_I) 		4 ARG A 185
GLN A 171
ASN A  30
ASN A  67
 None
 1.25A 2nyrA-1rxwA:
2.5		 2nyrA-1rxwA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ryt RUBRERYTHRIN

(Desulfovibrio
vulgaris) 		PF02915
(Rubrerythrin) 		4 PHE A  46
ARG A 134
GLN A  52
LEU A  60
 None
 1.26A 2nyrA-1rytA:
undetectable		 2nyrA-1rytA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x5e THIOREDOXIN DOMAIN
CONTAINING PROTEIN 1

(Homo sapiens) 		PF00085
(Thioredoxin) 		4 PHE A  73
ARG A  91
ASN A  76
ASN A  39
 None
 1.30A 2nyrA-1x5eA:
undetectable		 2nyrA-1x5eA:
17.10
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.
1ywk 4-DEOXY-L-THREO-5-HE
XOSULOSE-URONATE
KETOL-ISOMERASE 1

(Enterococcus
faecalis) 		PF04962
(KduI) 		4 PHE A1024
ARG A1021
GLN A1233
ASN A1000
 None
 1.25A 2nyrA-1ywkA:
undetectable		 2nyrA-1ywkA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zgh METHIONYL-TRNA
FORMYLTRANSFERASE

(Ruminiclostridium
thermocellum) 		PF00551
(Formyl_trans_N) 		4 PHE A  80
ARG A  82
GLN A 155
LEU A 145
 None
 1.19A 2nyrA-1zghA:
4.4		 2nyrA-1zghA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a7u ATP SYNTHASE DELTA
CHAIN

(Escherichia
coli) 		PF00213
(OSCP) 		4 PHE B   3
ASN B  86
ASN B  71
LEU B  68
 None
 1.25A 2nyrA-2a7uB:
undetectable		 2nyrA-2a7uB:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e11 HYDROLASE

(Xanthomonas
campestris) 		PF00795
(CN_hydrolase) 		4 PHE A  49
ARG A 203
ASN A  21
LEU A  32
 CAC  A1266 (-3.3A)
None
None
None
 1.10A 2nyrA-2e11A:
undetectable		 2nyrA-2e11A:
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.
2eja UROPORPHYRINOGEN
DECARBOXYLASE

(Aquifex
aeolicus) 		PF01208
(URO-D) 		4 PHE A 238
ARG A 239
ASN A 205
LEU A  97
 None
 1.15A 2nyrA-2ejaA:
undetectable		 2nyrA-2ejaA:
20.26
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.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 PHE A 402
ASN A 369
ASN A 290
LEU A 303
 None
1BM  A 499 (-4.1A)
None
None
 1.24A 2nyrA-2hk5A:
undetectable		 2nyrA-2hk5A:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ism PUTATIVE
OXIDOREDUCTASE

(Thermus
thermophilus) 		PF07995
(GSDH) 		4 ARG A 318
GLN A 205
ASN A 203
LEU A 216
 CL  A1003 (-3.1A)
CL  A1003 (-3.1A)
None
None
 1.20A 2nyrA-2ismA:
undetectable		 2nyrA-2ismA:
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.
2ivf ETHYLBENZENE
DEHYDROGENASE
ALPHA-SUBUNIT
ETHYLBENZENE
DEHYDROGENASE
BETA-SUBUNIT

(Aromatoleum
aromaticum) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF13247
(Fer4_11) 		4 PHE B 237
ARG B 217
GLN B 229
LEU A 867
 None
 1.08A 2nyrA-2ivfB:
undetectable		 2nyrA-2ivfB:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pd0 HYPOTHETICAL PROTEIN

(Cryptosporidium
parvum) 		PF11539
(DUF3228) 		4 ARG A 142
ASN A  33
ASN A   6
LEU A  10
 None
None
MES  A 502 (-3.2A)
None
 1.25A 2nyrA-2pd0A:
undetectable		 2nyrA-2pd0A:
18.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pk0 SERINE/THREONINE
PROTEIN PHOSPHATASE
STP1

(Streptococcus
agalactiae) 		PF13672
(PP2C_2) 		4 GLN A  17
ASN A  15
ASN A 190
LEU A  34
 None
 1.17A 2nyrA-2pk0A:
undetectable		 2nyrA-2pk0A:
23.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x27 OUTER MEMBRANE
PROTEIN OPRG

(Pseudomonas
aeruginosa) 		PF03922
(OmpW) 		4 PHE X 155
ARG X  13
GLN X 100
LEU X 149
 C8E  X1224 ( 4.7A)
None
None
C8E  X1223 (-4.1A)
 1.19A 2nyrA-2x27X:
undetectable		 2nyrA-2x27X:
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.
2xnq NUCLEAR
POLYADENYLATED
RNA-BINDING PROTEIN
3

(Saccharomyces
cerevisiae) 		PF00076
(RRM_1) 		4 PHE A 371
ARG A 331
GLN A 359
ASN A 341
 None
 1.14A 2nyrA-2xnqA:
undetectable		 2nyrA-2xnqA:
17.30
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.
2xz8 PEPTIDOGLYCAN-RECOGN
ITION PROTEIN LF

(Drosophila
melanogaster) 		no annotation 4 PHE A 272
GLN A 274
ASN A 308
ASN A 286
 None
 1.27A 2nyrA-2xz8A:
undetectable		 2nyrA-2xz8A:
17.36
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.
2yhg CELLULOSE-BINDING
PROTEIN

(Saccharophagus
degradans) 		PF07632
(DUF1593) 		4 ARG A 814
ASN A 749
ASN A 917
LEU A 868
 BTB  A1945 (-3.9A)
BTB  A1945 (-3.7A)
None
None
 1.25A 2nyrA-2yhgA:
4.1		 2nyrA-2yhgA:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zgk ANTI-TUMOR LECTIN

(Agrocybe
aegerita) 		PF00337
(Gal-bind_lectin) 		4 ARG A  85
ASN A  43
ASN A 116
LEU A  33
 None
 1.08A 2nyrA-2zgkA:
undetectable		 2nyrA-2zgkA:
20.29
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.
3b59 GLYOXALASE/BLEOMYCIN
RESISTANCE
PROTEIN/DIOXYGENASE

(Novosphingobium
aromaticivorans) 		PF00903
(Glyoxalase) 		4 PHE A  19
ARG A  58
ASN A  63
LEU A 147
 None
 1.30A 2nyrA-3b59A:
undetectable		 2nyrA-3b59A:
20.18
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.
3bww PROTEIN OF UNKNOWN
FUNCTION
DUF692/COG3220

(Histophilus
somni) 		PF05114
(DUF692) 		4 PHE A  91
ASN A 200
ASN A 173
LEU A 254
 None
 1.31A 2nyrA-3bwwA:
undetectable		 2nyrA-3bwwA:
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.
3c2g SYS-1 PROTEIN

(Caenorhabditis
elegans) 		no annotation 4 GLN A 609
ASN A 605
ASN A 585
LEU A 650
 None
 1.05A 2nyrA-3c2gA:
undetectable		 2nyrA-3c2gA:
16.88
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.
3c5i CHOLINE KINASE

(Plasmodium
knowlesi) 		PF01633
(Choline_kinase) 		4 PHE A 267
GLN A 220
ASN A 222
LEU A 132
 None
CHT  A1001 (-3.2A)
MG  A 370 ( 4.4A)
None
 1.24A 2nyrA-3c5iA:
undetectable		 2nyrA-3c5iA:
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.
3cv2 MALATE SYNTHASE A

(Escherichia
coli) 		PF01274
(Malate_synthase) 		4 PHE A 281
ARG A 298
ASN A 309
LEU A 355
 None
 1.30A 2nyrA-3cv2A:
undetectable		 2nyrA-3cv2A:
18.98
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.
3das PUTATIVE
OXIDOREDUCTASE

(Streptomyces
coelicolor) 		PF07995
(GSDH) 		4 ARG A 311
GLN A 205
ASN A 203
LEU A 215
 PQQ  A4331 (-2.9A)
PQQ  A4331 (-3.0A)
PQQ  A4331 (-3.9A)
None
 1.26A 2nyrA-3dasA:
undetectable		 2nyrA-3dasA:
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.
3ed3 PROTEIN
DISULFIDE-ISOMERASE
MPD1

(Saccharomyces
cerevisiae) 		PF00085
(Thioredoxin) 		4 PHE A 273
ARG A 275
ASN A 268
ASN A  47
 None
None
None
ACT  A1108 (-4.0A)
 0.93A 2nyrA-3ed3A:
undetectable		 2nyrA-3ed3A:
20.56
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.
3fvq FE(3+) IONS IMPORT
ATP-BINDING PROTEIN
FBPC

(Neisseria
gonorrhoeae) 		PF00005
(ABC_tran) 		4 PHE A  53
GLN A  55
ASN A  74
ASN A  21
 None
 1.17A 2nyrA-3fvqA:
undetectable		 2nyrA-3fvqA:
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.
3fw0 PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE

(Rattus
norvegicus) 		PF01436
(NHL) 		4 PHE A 531
GLN A 516
ASN A 804
ASN A 733
 None
HH3  A   1 ( 4.7A)
None
None
 1.26A 2nyrA-3fw0A:
undetectable		 2nyrA-3fw0A:
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.
3gv0 TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Agrobacterium
fabrum) 		PF13377
(Peripla_BP_3) 		4 PHE A  82
GLN A 282
ASN A 298
LEU A 180
 None
 1.26A 2nyrA-3gv0A:
3.7		 2nyrA-3gv0A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i36 VASCULAR PROTEIN
TYROSINE PHOSPHATASE
1

(Rattus
norvegicus) 		PF00102
(Y_phosphatase) 		4 PHE A1169
GLN A 913
ASN A 917
ASN A 904
 None
 0.89A 2nyrA-3i36A:
undetectable		 2nyrA-3i36A:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3igo CALMODULIN-DOMAIN
PROTEIN KINASE 1

(Cryptosporidium
parvum) 		PF00069
(Pkinase)
PF13499
(EF-hand_7) 		4 ARG A 390
GLN A 181
ASN A 134
LEU A 308
 None
 1.27A 2nyrA-3igoA:
undetectable		 2nyrA-3igoA:
17.73
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.
3njp EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		4 GLN A  81
ASN A 115
ASN A  86
LEU A 120
 None
 1.07A 2nyrA-3njpA:
undetectable		 2nyrA-3njpA:
16.53
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.
3p13 D-RIBOSE PYRANASE

(Staphylococcus
aureus) 		PF05025
(RbsD_FucU) 		4 ARG A  52
GLN A  82
ASN A  79
ASN A 116
 None
 1.25A 2nyrA-3p13A:
undetectable		 2nyrA-3p13A:
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.
3p13 D-RIBOSE PYRANASE

(Staphylococcus
aureus) 		PF05025
(RbsD_FucU) 		4 ARG A  52
GLN A  82
ASN A  79
LEU A 130
 None
 0.97A 2nyrA-3p13A:
undetectable		 2nyrA-3p13A:
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.
3sb4 HYPOTHETICAL LEUCINE
RICH REPEAT PROTEIN

(Bacteroides
thetaiotaomicron) 		PF13306
(LRR_5) 		4 PHE A 140
GLN A 121
ASN A 145
ASN A  45
 None
 1.31A 2nyrA-3sb4A:
undetectable		 2nyrA-3sb4A:
20.35
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.
3tqe MALONYL-COA-[ACYL-CA
RRIER-PROTEIN]
TRANSACYLASE

(Coxiella
burnetii) 		PF00698
(Acyl_transf_1) 		4 ARG A 118
GLN A 251
ASN A 232
ASN A 242
 GLY  A 314 (-3.2A)
None
None
GLY  A 315 ( 4.8A)
 1.19A 2nyrA-3tqeA:
2.1		 2nyrA-3tqeA:
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.
3tqe MALONYL-COA-[ACYL-CA
RRIER-PROTEIN]
TRANSACYLASE

(Coxiella
burnetii) 		PF00698
(Acyl_transf_1) 		4 PHE A   9
GLN A 251
ASN A 232
ASN A 242
 None
None
None
GLY  A 315 ( 4.8A)
 1.12A 2nyrA-3tqeA:
2.1		 2nyrA-3tqeA:
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.
3vcn MANNONATE
DEHYDRATASE

(Caulobacter
vibrioides) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ARG A 223
ASN A 189
ASN A 402
LEU A 395
 None
 1.04A 2nyrA-3vcnA:
undetectable		 2nyrA-3vcnA:
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.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 PHE A 437
GLN A 431
ASN A 400
LEU A 423
 None
 1.10A 2nyrA-4c3hA:
undetectable		 2nyrA-4c3hA:
9.61
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.
4cu8 GLYCOSIDE HYDROLASE
2

(Streptococcus
pneumoniae) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF16355
(DUF4982) 		4 PHE A 695
ARG A 697
ASN A 829
LEU A 765
 None
 1.26A 2nyrA-4cu8A:
undetectable		 2nyrA-4cu8A:
15.57
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.
4dnv AT5G63860/MGI19_6

(Arabidopsis
thaliana) 		PF00415
(RCC1) 		4 PHE A 370
GLN A 316
ASN A 303
LEU A 270
 None
 1.19A 2nyrA-4dnvA:
undetectable		 2nyrA-4dnvA:
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.
4ffb PROTEIN STU2

(Saccharomyces
cerevisiae) 		no annotation 4 GLN C 122
ASN C  80
ASN C  68
LEU C  27
 None
 1.18A 2nyrA-4ffbC:
undetectable		 2nyrA-4ffbC:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		4 PHE A 240
GLN A 246
ASN A 307
LEU A 254
 None
 1.20A 2nyrA-4fgvA:
undetectable		 2nyrA-4fgvA:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fhn NUCLEOPORIN NUP120

(Schizosaccharomyces
pombe) 		PF11715
(Nup160) 		4 PHE B 551
ARG B 581
GLN B 689
LEU B 599
 None
 1.07A 2nyrA-4fhnB:
undetectable		 2nyrA-4fhnB:
12.67
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.
4fln PROTEASE DO-LIKE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		4 GLN A 483
ASN A 517
ASN A 504
LEU A 468
 None
 1.24A 2nyrA-4flnA:
undetectable		 2nyrA-4flnA:
19.74
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.
4frz KINESIN-LIKE
CALMODULIN-BINDING
PROTEIN

(Arabidopsis
thaliana) 		PF00225
(Kinesin) 		4 ARG A 895
GLN A 944
ASN A 986
LEU A1068
 ADP  A1302 (-4.0A)
None
None
None
 1.26A 2nyrA-4frzA:
undetectable		 2nyrA-4frzA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gxw ADENOSINE DEAMINASE

(Burkholderia
ambifaria) 		PF00962
(A_deaminase) 		4 PHE A 261
ARG A 237
ASN A 298
LEU A  79
 None
 1.15A 2nyrA-4gxwA:
undetectable		 2nyrA-4gxwA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENB
YENC2

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN)
no annotation 		4 PHE A1097
GLN B  82
ASN B  88
LEU B 671
 None
 1.26A 2nyrA-4iglA:
undetectable		 2nyrA-4iglA:
10.42
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.
4k5a DESIGNED ANKYRIN
REPEAT PROTEIN
013_D12

(Escherichia
coli) 		PF12796
(Ank_2)
PF13857
(Ank_5) 		4 GLN B 122
ASN B 156
ASN B 107
LEU B 132
 None
 1.23A 2nyrA-4k5aB:
undetectable		 2nyrA-4k5aB:
21.53
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.
4lk3 UDP-GLUCURONIC ACID
DECARBOXYLASE 1

(Homo sapiens) 		PF16363
(GDP_Man_Dehyd) 		4 PHE A  99
ARG A 125
ASN A 269
ASN A 171
 None
SO4  A 504 ( 4.4A)
SO4  A 504 (-3.8A)
None
 1.27A 2nyrA-4lk3A:
4.6		 2nyrA-4lk3A:
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.
4mh1 SORBOSE
DEHYDROGENASE

(Ketogulonicigenium
vulgare) 		PF13360
(PQQ_2) 		4 ARG A  49
GLN A  77
ASN A  71
LEU A 112
 None
 1.21A 2nyrA-4mh1A:
undetectable		 2nyrA-4mh1A:
17.55
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.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		4 PHE A 205
GLN A 208
ASN A 359
LEU A 409
 None
 0.99A 2nyrA-4opuA:
3.9		 2nyrA-4opuA:
20.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pa1 INTEGRASE

(Feline
immunodeficiency
virus) 		PF00665
(rve) 		4 PHE A 141
GLN A  64
ASN A 111
LEU A 202
 None
 1.10A 2nyrA-4pa1A:
undetectable		 2nyrA-4pa1A:
20.29
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.
4pu5 TOXIN-ANTITOXIN
SYSTEM TOXIN HIPA
FAMILY

(Shewanella
oneidensis) 		PF07804
(HipA_C)
PF13657
(Couple_hipA) 		4 GLN A 294
ASN A 377
ASN A 311
LEU A 329
 None
None
MG  A 502 ( 2.5A)
None
 1.15A 2nyrA-4pu5A:
undetectable		 2nyrA-4pu5A:
22.55
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.
4qbj GLYCYLPEPTIDE
N-TETRADECANOYLTRANS
FERASE

(Aspergillus
fumigatus) 		PF01233
(NMT)
PF02799
(NMT_C) 		4 ARG A 236
ASN A 241
ASN A 213
LEU A 168
 None
None
2XQ  A 505 ( 3.5A)
None
 1.30A 2nyrA-4qbjA:
undetectable		 2nyrA-4qbjA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r04 TOXIN A

(Clostridioides
difficile) 		PF11713
(Peptidase_C80)
PF12918
(TcdB_N)
PF12919
(TcdA_TcdB)
PF12920
(TcdA_TcdB_pore) 		4 PHE A 550
GLN A 585
ASN A 613
LEU A 697
 None
 1.28A 2nyrA-4r04A:
undetectable		 2nyrA-4r04A:
8.62
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.
4rm4 CYTOCHROME P450

(Bacillus
subtilis) 		PF00067
(p450) 		4 ARG A 184
ASN A  79
ASN A  45
LEU A 311
 None
 1.17A 2nyrA-4rm4A:
undetectable		 2nyrA-4rm4A:
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.
4uya MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE MLK4

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 GLN A 243
ASN A 239
ASN A 268
LEU A 264
 None
None
MG  A1439 ( 3.0A)
None
 1.19A 2nyrA-4uyaA:
undetectable		 2nyrA-4uyaA:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wkr LA-RELATED PROTEIN 7

(Homo sapiens) 		PF00076
(RRM_1)
PF05383
(La) 		4 PHE A 145
ARG A 143
ASN A 137
LEU A  83
 None
 1.30A 2nyrA-4wkrA:
undetectable		 2nyrA-4wkrA:
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.
4zzq CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Dictyostelium
discoideum) 		PF00840
(Glyco_hydro_7) 		4 PHE A 181
GLN A 234
ASN A 115
LEU A 118
 PCA  A   1 ( 3.5A)
None
None
None
 1.06A 2nyrA-4zzqA:
undetectable		 2nyrA-4zzqA:
18.45
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.
5c65 SOLUTE CARRIER
FAMILY 2,
FACILITATED GLUCOSE
TRANSPORTER MEMBER 3

(Homo sapiens) 		PF00083
(Sugar_tr) 		4 PHE A 414
GLN A 281
ASN A 409
LEU A 439
 None
 1.26A 2nyrA-5c65A:
undetectable		 2nyrA-5c65A:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dzw PROTOCADHERIN
ALPHA-4

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 PHE A 112
ARG A 117
ASN A 209
LEU A 301
 None
None
CA  A 509 ( 3.7A)
None
 1.27A 2nyrA-5dzwA:
undetectable		 2nyrA-5dzwA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6s INTEGRIN BETA-2

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		4 ARG B 371
GLN B 390
ASN B  94
LEU B  85
 None
NAG  B3094 ( 4.5A)
NAG  B3094 (-1.9A)
None
 1.00A 2nyrA-5e6sB:
2.2		 2nyrA-5e6sB:
19.34
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.
5e6v INTEGRIN BETA-2

(Homo sapiens) 		PF17205
(PSI_integrin) 		4 ARG A 371
GLN A 390
ASN A  94
LEU A  85
 NAG  A 501 (-3.5A)
NAG  A 502 (-3.8A)
NAG  A 502 (-1.8A)
None
 0.76A 2nyrA-5e6vA:
undetectable		 2nyrA-5e6vA:
19.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e7g IPT/TIG
DOMAIN-CONTAINING
PROTEIN BACOVA_02650

(Bacteroides
ovatus) 		no annotation 4 GLN A 453
ASN A 457
ASN A 317
LEU A 389
 None
 1.12A 2nyrA-5e7gA:
undetectable		 2nyrA-5e7gA:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e7h IPT/TIG
DOMAIN-CONTAINING
PROTEIN BACOVA_02650

(Bacteroides
ovatus) 		PF01833
(TIG) 		4 GLN A 453
ASN A 457
ASN A 317
LEU A 389
 None
 1.10A 2nyrA-5e7hA:
undetectable		 2nyrA-5e7hA:
19.66
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.
5fx8 LINOLEATE
11-LIPOXYGENASE

(Gaeumannomyces
avenae) 		PF00305
(Lipoxygenase) 		4 ARG A 541
GLN A 483
ASN A 482
LEU A 404
 None
None
MN  A1000 (-3.3A)
None
 1.28A 2nyrA-5fx8A:
undetectable		 2nyrA-5fx8A:
17.99
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.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		4 GLN A 334
ASN A 342
ASN A 253
LEU A 298
 None
None
FAD  A 602 (-4.6A)
FAD  A 602 ( 3.8A)
 1.28A 2nyrA-5glgA:
2.7		 2nyrA-5glgA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h0i ASPARAGINYL
ENDOPEPTIDASE

(Oldenlandia
affinis) 		PF01650
(Peptidase_C13) 		4 PHE A 359
ARG A 360
ASN A 262
ASN A 346
 None
 1.21A 2nyrA-5h0iA:
4.3		 2nyrA-5h0iA:
19.96
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1
DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF00623
(RNA_pol_Rpb1_2)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		4 PHE A  19
ARG B1215
ASN B1211
LEU A  58
 None
 1.21A 2nyrA-5ip9A:
undetectable		 2nyrA-5ip9A:
10.97
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.
5jxr CHROMATIN-REMODELING
COMPLEX ATPASE-LIKE
PROTEIN

(Thermothelomyces
thermophila) 		PF00176
(SNF2_N)
PF00271
(Helicase_C) 		4 ARG A 400
GLN A 220
ASN A 337
LEU A 228
 None
 1.18A 2nyrA-5jxrA:
undetectable		 2nyrA-5jxrA:
16.12
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.
5kj4 PROTOCADHERIN-15

(Mus musculus) 		PF00028
(Cadherin) 		4 ARG A1085
GLN A1087
ASN A1105
ASN A1062
 None
 1.31A 2nyrA-5kj4A:
undetectable		 2nyrA-5kj4A:
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.
5knh DARPIN 6G9

(synthetic
construct) 		PF12796
(Ank_2) 		4 GLN D 122
ASN D 156
ASN D 107
LEU D 132
 ACT  D1001 (-2.9A)
None
None
None
 1.21A 2nyrA-5knhD:
undetectable		 2nyrA-5knhD:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l9w ACETOPHENONE
CARBOXYLASE DELTA
SUBUNIT

(Aromatoleum
aromaticum) 		PF02538
(Hydantoinase_B) 		4 PHE A 238
ARG A 239
ASN A 333
LEU A 252
 None
 1.04A 2nyrA-5l9wA:
undetectable		 2nyrA-5l9wA:
17.93
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.
5lew DNA POLYMERASE III
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 4 PHE A 426
ARG A 382
ASN A 593
LEU A 619
 None
None
SO4  A1005 ( 4.0A)
None
 1.13A 2nyrA-5lewA:
undetectable		 2nyrA-5lewA:
14.74
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.
5m6q UNCHARACTERIZED
PROTEIN

(Kutzneria
albida) 		PF09017
(Transglut_prok) 		4 GLN A  78
ASN A  82
ASN A 109
LEU A 107
 None
None
MES  A 301 ( 3.8A)
None
 1.26A 2nyrA-5m6qA:
undetectable		 2nyrA-5m6qA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n5z RNA POLYMERASE
I-SPECIFIC
TRANSCRIPTION
INITIATION FACTOR
RRN3

(Saccharomyces
cerevisiae) 		PF05327
(RRN3) 		4 PHE O 528
ARG O 530
ASN O 523
ASN O 549
 None
 1.22A 2nyrA-5n5zO:
undetectable		 2nyrA-5n5zO:
16.32
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.
5o9g CHROMO
DOMAIN-CONTAINING
PROTEIN 1

(Saccharomyces
cerevisiae) 		no annotation 4 ARG W 597
GLN W 410
ASN W 536
LEU W 418
 None
 1.26A 2nyrA-5o9gW:
undetectable		 2nyrA-5o9gW:
10.50
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.
5oat SERINE/THREONINE-PRO
TEIN KINASE PINK1,
MITOCHONDRIAL-LIKE
PROTEIN

(Tribolium
castaneum) 		no annotation 4 PHE A 546
GLN A 320
ASN A 249
LEU A 305
 None
 1.29A 2nyrA-5oatA:
undetectable		 2nyrA-5oatA:
19.48
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.
5oyd CELLULASE, PUTATIVE,
CEL5D

(Cellvibrio
japonicus) 		no annotation 4 PHE A 440
ARG A 395
ASN A 434
LEU A 388
 None
None
XYS  A 505 ( 4.1A)
None
 1.13A 2nyrA-5oydA:
undetectable		 2nyrA-5oydA:
14.81
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.
5t2n I-ONUI_E-AG007820

(synthetic
construct) 		PF00961
(LAGLIDADG_1) 		4 PHE A 181
GLN A 197
ASN A 184
LEU A 282
 None
 1.24A 2nyrA-5t2nA:
undetectable		 2nyrA-5t2nA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t2n I-ONUI_E-AG007820

(synthetic
construct) 		PF00961
(LAGLIDADG_1) 		4 PHE A 200
GLN A 197
ASN A 184
LEU A 282
 None
 0.98A 2nyrA-5t2nA:
undetectable		 2nyrA-5t2nA:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tw1 DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycolicibacterium
smegmatis) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF10385
(RNA_pol_Rpb2_45) 		4 ARG C 301
GLN C 377
ASN C 378
LEU C 124
 None
 1.12A 2nyrA-5tw1C:
undetectable		 2nyrA-5tw1C:
12.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xjy ATP-BINDING CASSETTE
SUB-FAMILY A MEMBER
1

(Homo sapiens) 		PF00005
(ABC_tran)
PF12698
(ABC2_membrane_3) 		4 PHE A1580
ARG A1579
ASN A1552
ASN A1588
 None
 1.27A 2nyrA-5xjyA:
undetectable		 2nyrA-5xjyA:
7.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y09 PROTEASE DO-LIKE 9

(Arabidopsis
thaliana) 		no annotation 4 GLN A 498
ASN A 532
ASN A 519
LEU A 483
 None
 1.28A 2nyrA-5y09A:
undetectable		 2nyrA-5y09A:
18.90
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.
5y6q ALDEHYDE OXIDASE
LARGE SUBUNIT
ALDEHYDE OXIDASE
MEDIUM SUBUNIT

(Methylobacillus
sp. KY4400) 		no annotation 4 PHE C 296
ARG C 204
ASN C 130
ASN B 146
 None
 1.29A 2nyrA-5y6qC:
undetectable		 2nyrA-5y6qC:
15.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ykn PROBABLE
LYSINE-SPECIFIC
DEMETHYLASE JMJ14

(Arabidopsis
thaliana) 		no annotation 4 ARG A 369
GLN A 122
ASN A 123
LEU A 359
 None
 1.20A 2nyrA-5yknA:
undetectable		 2nyrA-5yknA:
16.67
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.
5yud BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 1E

(Mus musculus) 		no annotation 4 ARG A 846
GLN A1383
ASN A1375
ASN A1296
 None
 1.06A 2nyrA-5yudA:
undetectable		 2nyrA-5yudA:
11.94
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.
5yud BACULOVIRAL IAP
REPEAT-CONTAINING
PROTEIN 1E

(Mus musculus) 		no annotation 4 ARG A 846
GLN A1383
ASN A1375
LEU A1359
 None
 1.04A 2nyrA-5yudA:
undetectable		 2nyrA-5yudA:
11.94
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.
6bfu SPIKE PROTEIN

(Coronavirus
HKU15) 		no annotation 4 GLN A 589
ASN A 927
ASN A 899
LEU A 736
 None
 1.15A 2nyrA-6bfuA:
undetectable		 2nyrA-6bfuA:
13.45
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.
6c29 PUTATIVE METAL
RESISTANCE PROTEIN

(Proteus
mirabilis) 		no annotation 4 ARG A  47
GLN A 239
ASN A 241
LEU A 205
 None
 1.30A 2nyrA-6c29A:
undetectable		 2nyrA-6c29A:
15.15
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.
6cnj NEURONAL
ACETYLCHOLINE
RECEPTOR SUBUNIT
BETA-2

(Homo sapiens) 		no annotation 4 PHE B 139
ARG B 207
GLN B 142
LEU B 183
 None
 1.28A 2nyrA-6cnjB:
undetectable		 2nyrA-6cnjB:
14.47
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.
6emk SERINE/THREONINE-PRO
TEIN KINASE TOR2

(Saccharomyces
cerevisiae) 		no annotation 4 PHE A2155
ARG A2156
ASN A1585
LEU A 848
 None
 1.20A 2nyrA-6emkA:
undetectable		 2nyrA-6emkA:
16.67
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 4 ARG A  41
ASN A 412
ASN A 430
LEU A 501
 None
 1.30A 2nyrA-6eojA:
undetectable		 2nyrA-6eojA:
11.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f5o POLYMERASE BASIC
PROTEIN 2

(Influenza B
virus) 		no annotation 4 PHE C 137
GLN C 548
ASN C 549
LEU C 677
 None
 1.15A 2nyrA-6f5oC:
undetectable		 2nyrA-6f5oC:
15.97
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.
1b7g PROTEIN
(GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE)

(Sulfolobus
solfataricus) 		PF01113
(DapB_N)
PF02800
(Gp_dh_C) 		5 ARG O  15
ARG O  46
ILE O  21
GLY O   8
VAL O 305
 None
 1.39A 2nyrB-1b7gO:
4.9		 2nyrB-1b7gO:
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.
1d6h CHALCONE SYNTHASE

(Medicago sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ILE A 309
HIS A 303
PHE A 215
GLY A 216
LEU A 343
 None
 0.94A 2nyrB-1d6hA:
undetectable		 2nyrB-1d6hA:
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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 ARG C 239
ILE C 402
HIS C 336
GLY A  90
LEU C 495
 HEM  A 605 (-4.3A)
None
HEM  A 605 (-3.3A)
HEM  A 605 (-3.5A)
None
 1.35A 2nyrB-1d7wC:
undetectable		 2nyrB-1d7wC:
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.
1ee0 2-PYRONE SYNTHASE

(Gerbera hybrid
cultivar) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ILE A 314
HIS A 308
PHE A 220
GLY A 221
LEU A 348
 None
None
CAA  A 600 (-4.6A)
None
None
 0.95A 2nyrB-1ee0A:
undetectable		 2nyrB-1ee0A:
22.14
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.
1jqe HISTAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF13489
(Methyltransf_23) 		5 ILE A 151
GLY A  60
LEU A 161
TYR A 123
MET A 127
 None
SAH  A 400 (-3.3A)
None
None
None
 1.27A 2nyrB-1jqeA:
2.0		 2nyrB-1jqeA:
20.78
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.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C) 		5 TYR A 165
ARG D 750
ILE E 997
LEU E 942
VAL E 935
 None
 1.33A 2nyrB-1o7dA:
undetectable		 2nyrB-1o7dA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 TYR A 165
ILE E 997
GLY C 519
LEU E 939
VAL E 935
 None
 1.45A 2nyrB-1o7dA:
undetectable		 2nyrB-1o7dA:
21.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tq5 PROTEIN YHHW

(Escherichia
coli) 		PF02678
(Pirin) 		5 ILE A  64
PHE A  54
GLY A  55
VAL A  73
TYR A 104
 None
 1.27A 2nyrB-1tq5A:
undetectable		 2nyrB-1tq5A:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uik ALPHA PRIME SUBUNIT
OF BETA-CONGLYCININ

(Glycine max) 		PF00190
(Cupin_1) 		5 ILE A 419
PHE A 481
GLY A 482
ASN A 410
VAL A 396
 None
 1.48A 2nyrB-1uikA:
undetectable		 2nyrB-1uikA:
21.76
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.
1ukv GTP-BINDING PROTEIN
YPT1

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		5 TYR Y  78
ILE Y  84
GLY Y  98
VAL Y 119
TYR Y  88
 None
 1.45A 2nyrB-1ukvY:
4.0		 2nyrB-1ukvY:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yzn GTP-BINDING PROTEIN
YPT1

(Saccharomyces
cerevisiae) 		PF00071
(Ras) 		5 TYR A  78
ILE A  84
GLY A  98
VAL A 119
TYR A  88
 None
 1.40A 2nyrB-1yznA:
4.3		 2nyrB-1yznA:
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.
1z7e PROTEIN ARNA

(Escherichia
coli) 		PF00551
(Formyl_trans_N)
PF01370
(Epimerase)
PF02911
(Formyl_trans_C) 		5 ARG A 138
ILE A 144
HIS A 133
GLY A 113
VAL A 136
 None
 1.46A 2nyrB-1z7eA:
6.0		 2nyrB-1z7eA:
17.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ILE A 264
HIS A 253
PHE A 130
GLY A 131
MET A 367
 None
TEO  A1002 (-4.0A)
None
None
None
 1.42A 2nyrB-2h88A:
2.8		 2nyrB-2h88A:
19.26
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.
2jb1 L-AMINO ACID OXIDASE

(Rhodococcus
opacus) 		PF01593
(Amino_oxidase) 		5 ARG A 331
TYR A 404
ILE A 326
GLY A 342
TYR A 357
 None
 1.48A 2nyrB-2jb1A:
4.1		 2nyrB-2jb1A:
17.77
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.
2l26 UNCHARACTERIZED
PROTEIN
RV0899/MT0922

(Mycobacterium
tuberculosis) 		PF00691
(OmpA)
PF04972
(BON) 		5 ARG A 320
ILE A 223
ASN A 241
VAL A 281
TYR A 284
 None
 1.50A 2nyrB-2l26A:
undetectable		 2nyrB-2l26A:
23.57
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.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 TYR A  75
ILE A  55
GLY A  33
LEU A  99
TYR A 128
 None
None
F6P  A 501 (-3.5A)
None
F6P  A 501 (-4.6A)
 1.41A 2nyrB-2r66A:
3.7		 2nyrB-2r66A:
20.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wxz ANGIOTENSINOGEN

(Rattus
norvegicus) 		PF00079
(Serpin) 		5 TYR A 357
ILE A 395
GLY A 107
LEU A  55
VAL A 174
 None
 1.38A 2nyrB-2wxzA:
undetectable		 2nyrB-2wxzA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x0s PYRUVATE PHOSPHATE
DIKINASE

(Trypanosoma
brucei) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		5 ARG A 488
ILE A 376
PHE A 261
GLY A 274
ASN A 296
 None
 1.41A 2nyrB-2x0sA:
undetectable		 2nyrB-2x0sA:
13.84
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.
2y23 MYOMESIN

(Homo sapiens) 		PF07679
(I-set) 		5 ARG A1261
TYR A1277
HIS A1293
GLY A1299
ASN A1297
 None
 1.20A 2nyrB-2y23A:
undetectable		 2nyrB-2y23A:
18.65
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.
2z22 PERIPLASMIC
PHOSPHATE-BINDING
PROTEIN

(Yersinia pestis) 		no annotation 5 PHE X  11
GLY X 140
LEU X 149
VAL X  80
TYR X 193
 None
PO4  X2322 (-3.4A)
None
None
None
 1.44A 2nyrB-2z22X:
undetectable		 2nyrB-2z22X:
19.69
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.
2z8u TATA-BOX-BINDING
PROTEIN

(Methanocaldococcus
jannaschii) 		PF00352
(TBP) 		5 PHE A 147
GLY A 148
ASN A 112
VAL A 134
TYR A 125
 None
 1.43A 2nyrB-2z8uA:
undetectable		 2nyrB-2z8uA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbk TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Sulfolobus
shibatae) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		5 TYR B  33
ARG B  30
GLY B 106
ASN B 375
LEU B 415
 None
 0.99A 2nyrB-2zbkB:
undetectable		 2nyrB-2zbkB:
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.
3awk CHALCONE
SYNTHASE-LIKE
POLYKETIDE SYNTHASE

(Huperzia
serrata) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ILE A 319
HIS A 313
PHE A 225
GLY A 226
LEU A 353
 None
None
GOL  A 501 (-4.3A)
None
None
 0.86A 2nyrB-3awkA:
undetectable		 2nyrB-3awkA:
21.67
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.
3cvz S-LAYER PROTEIN

(Clostridioides
difficile) 		PF12211
(LMWSLP_N) 		5 ILE A  34
PHE A  38
GLY A  41
VAL A 247
TYR A  80
 None
 1.17A 2nyrB-3cvzA:
undetectable		 2nyrB-3cvzA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gcf TERMINAL OXYGENASE
COMPONENT OF
CARBAZOLE
1,9A-DIOXYGENASE

(Nocardioides
aromaticivorans) 		PF00355
(Rieske)
PF11723
(Aromatic_hydrox) 		5 ARG A 381
ILE A 143
GLY A  74
LEU A 105
VAL A  52
 None
None
None
None
CL  A 396 ( 4.6A)
 1.45A 2nyrB-3gcfA:
undetectable		 2nyrB-3gcfA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i45 TWIN-ARGININE
TRANSLOCATION
PATHWAY SIGNAL
PROTEIN

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		5 TYR A 240
ILE A  17
GLY A 155
ASN A 151
VAL A  85
 None
 1.17A 2nyrB-3i45A:
4.3		 2nyrB-3i45A:
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.
3igz COFACTOR-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Leishmania
mexicana) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 ILE B 419
GLY B 412
ASN B 415
LEU B 536
VAL B 454
 None
 1.44A 2nyrB-3igzB:
undetectable		 2nyrB-3igzB:
19.77
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.
3k92 NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 ILE A 206
GLY A 106
ASN A 109
VAL A 357
TYR A 359
 None
 1.35A 2nyrB-3k92A:
2.8		 2nyrB-3k92A:
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.
3khk TYPE I
RESTRICTION-MODIFICA
TION SYSTEM
METHYLATION SUBUNIT

(Methanosarcina
mazei) 		PF02384
(N6_Mtase)
PF12161
(HsdM_N) 		5 ARG A 516
TYR A 527
PHE A 520
GLY A 407
LEU A 381
 None
 1.43A 2nyrB-3khkA:
2.4		 2nyrB-3khkA:
16.73
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.
3mwc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Kosmotoga
olearia) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 253
HIS A 234
PHE A 215
LEU A 207
VAL A 191
 None
 1.39A 2nyrB-3mwcA:
undetectable		 2nyrB-3mwcA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ppc 5-METHYLTETRAHYDROPT
EROYLTRIGLUTAMATE--H
OMOCYSTEINE
METHYLTRANSFERASE

(Candida
albicans) 		PF01717
(Meth_synt_2)
PF08267
(Meth_synt_1) 		5 ARG A 533
ILE A 307
GLY A  14
VAL A 532
TYR A 531
 None
 1.24A 2nyrB-3ppcA:
undetectable		 2nyrB-3ppcA:
13.94
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.
3pv2 DEGQ

(Legionella
fallonii) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 ILE A 225
GLY A 191
ASN A 189
VAL A  70
MET A  17
 None
 1.29A 2nyrB-3pv2A:
undetectable		 2nyrB-3pv2A:
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.
3qki GLUCOSE-6-PHOSPHATE
ISOMERASE

(Plasmodium
falciparum) 		PF00342
(PGI) 		5 ILE A 374
HIS A 373
PHE A 295
GLY A 293
LEU A 306
 None
 1.48A 2nyrB-3qkiA:
2.8		 2nyrB-3qkiA:
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.
3sbg PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF12134
(PRP8_domainIV) 		5 ILE A1954
GLY A1833
ASN A1839
LEU A1843
VAL A1935
 None
 1.45A 2nyrB-3sbgA:
undetectable		 2nyrB-3sbgA:
18.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tqp ENOLASE

(Coxiella
burnetii) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A 387
GLY A 311
ASN A 332
LEU A 424
VAL A 351
 None
 1.26A 2nyrB-3tqpA:
undetectable		 2nyrB-3tqpA:
22.20
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.
3tqr PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Coxiella
burnetii) 		PF00551
(Formyl_trans_N) 		5 ILE A  55
GLY A  14
ASN A  40
LEU A  75
VAL A  88
 None
 1.28A 2nyrB-3tqrA:
4.0		 2nyrB-3tqrA:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3umm PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE

(Salmonella
enterica) 		PF02769
(AIRS_C)
PF13507
(GATase_5) 		5 TYR A1222
ILE A1192
HIS A1260
GLY A1197
ASN A 378
 None
None
CYG  A1135 ( 3.6A)
CYG  A1135 ( 3.8A)
None
 1.49A 2nyrB-3ummA:
3.3		 2nyrB-3ummA:
11.35
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.
3vk5 MOEO5

(Streptomyces
viridosporus) 		PF01884
(PcrB) 		5 PHE A 160
GLY A 161
ASN A 204
VAL A 227
TYR A 201
 None
None
None
None
FPQ  A 900 (-3.8A)
 1.44A 2nyrB-3vk5A:
undetectable		 2nyrB-3vk5A:
24.45
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.
4a7w URIDYLATE KINASE

(Helicobacter
pylori) 		PF00696
(AA_kinase) 		5 PHE A 133
GLY A 134
ASN A  86
LEU A  32
VAL A 130
 None
 1.26A 2nyrB-4a7wA:
4.5		 2nyrB-4a7wA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4doi CHALCONE--FLAVONONE
ISOMERASE 1

(Arabidopsis
thaliana) 		PF02431
(Chalcone) 		5 ILE A 181
PHE A  26
GLY A  43
LEU A 165
VAL A 106
 None
None
None
None
NO3  A 301 (-4.8A)
 1.37A 2nyrB-4doiA:
undetectable		 2nyrB-4doiA:
24.08
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.
4e4j ARGININE DEIMINASE

(Mycoplasma
penetrans) 		PF02274
(Amidinotransf) 		5 ARG A 245
ASN A 136
VAL A 123
TYR A 127
MET A 170
 None
 1.09A 2nyrB-4e4jA:
undetectable		 2nyrB-4e4jA:
22.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g1c NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		7 TYR A 102
ARG A 105
ILE A 142
HIS A 158
PHE A 223
GLY A 224
LEU A 232
 None
CNA  A 402 ( 4.8A)
CNA  A 402 (-4.7A)
CNA  A 402 (-4.3A)
None
None
None
 0.86A 2nyrB-4g1cA:
38.3		 2nyrB-4g1cA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g1c NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		6 TYR A 102
ARG A 105
ILE A 142
PHE A 223
GLY A 224
ASN A 226
 None
CNA  A 402 ( 4.8A)
CNA  A 402 (-4.7A)
None
None
None
 0.91A 2nyrB-4g1cA:
38.3		 2nyrB-4g1cA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g7f ENOLASE

(Trypanosoma
cruzi) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		5 ILE A 240
PHE A 148
GLY A 396
LEU A 341
VAL A 145
 None
 1.23A 2nyrB-4g7fA:
undetectable		 2nyrB-4g7fA:
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.
4hst GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE ALPHA CHAIN
GLUTARYL-7-AMINOCEPH
ALOSPORANIC ACID
ACYLASE BETA CHAIN

(Pseudomonas) 		PF01804
(Penicil_amidase) 		5 ARG A  64
ARG A  36
GLY B  46
LEU B 154
MET A 158
 None
 1.37A 2nyrB-4hstA:
undetectable		 2nyrB-4hstA:
26.32
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.
4p08 COCAINE ESTERASE

(Rhodococcus sp.
MB1) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C) 		5 PHE A 114
GLY A 112
ASN A 110
VAL A  63
TYR A  67
 None
 1.43A 2nyrB-4p08A:
undetectable		 2nyrB-4p08A:
19.44
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.
4qgo DNA-ENTRY NUCLEASE
(COMPETENCE-SPECIFIC
NUCLEASE)

(Streptococcus
agalactiae) 		PF01223
(Endonuclease_NS) 		5 ARG A 215
TYR A 249
GLY A 130
LEU A 149
TYR A 214
 None
 1.30A 2nyrB-4qgoA:
undetectable		 2nyrB-4qgoA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tm3 KTZI

(Kutzneria sp.
744) 		PF13434
(K_oxygenase) 		5 ILE A 415
PHE A  41
GLY A  18
LEU A 405
VAL A  28
 None
None
FAD  A 501 (-3.2A)
BR  A 505 ( 4.0A)
None
 1.36A 2nyrB-4tm3A:
2.1		 2nyrB-4tm3A:
23.54
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.
4trq NUCLEAR MRNA EXPORT
PROTEIN SAC3

(Saccharomyces
cerevisiae) 		PF03399
(SAC3_GANP) 		5 ARG A 256
ILE A 290
PHE A 282
GLY A 281
LEU A 317
 SO4  A 601 (-3.0A)
None
None
None
None
 1.22A 2nyrB-4trqA:
undetectable		 2nyrB-4trqA:
19.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 ARG A  67
HIS A 116
PHE A 159
GLY A 160
LEU A 168
 None
 1.05A 2nyrB-4twiA:
21.8		 2nyrB-4twiA:
39.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4twi NAD-DEPENDENT
PROTEIN DEACYLASE 1

(Archaeoglobus
fulgidus) 		PF02146
(SIR2) 		5 TYR A  64
ARG A  67
PHE A 159
GLY A 160
LEU A 168
 None
 0.78A 2nyrB-4twiA:
21.8		 2nyrB-4twiA:
39.57
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.
4yjy CHALCONE SYNTHASE 1

(Oryza sativa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 ILE A 312
HIS A 306
PHE A 218
GLY A 219
LEU A 346
 None
 1.00A 2nyrB-4yjyA:
undetectable		 2nyrB-4yjyA:
21.75
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.
5apg TSR3

(Vulcanisaeta
distributa) 		PF04034
(Ribo_biogen_C) 		5 ARG A  58
ILE A  43
PHE A 125
LEU A  96
TYR A 121
 None
 1.39A 2nyrB-5apgA:
undetectable		 2nyrB-5apgA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eqj TRNA
(ADENINE(58)-N(1))-M
ETHYLTRANSFERASE
NON-CATALYTIC
SUBUNIT TRM6

(Saccharomyces
cerevisiae) 		PF04189
(Gcd10p) 		5 PHE A 256
GLY A 258
ASN A 286
VAL A 248
TYR A 249
 None
 1.15A 2nyrB-5eqjA:
3.5		 2nyrB-5eqjA:
19.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fku DNA POLYMERASE III
SUBUNIT ALPHA

(Escherichia
coli) 		PF01336
(tRNA_anti-codon)
PF02811
(PHP)
PF07733
(DNA_pol3_alpha)
PF14579
(HHH_6) 		5 ILE A  18
HIS A  12
GLY A  67
LEU A  27
MET A 240
 None
 1.37A 2nyrB-5fkuA:
2.3		 2nyrB-5fkuA:
12.55
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.
5g5p NUCLEAR MRNA EXPORT
PROTEIN SAC3

(Saccharomyces
cerevisiae) 		PF03399
(SAC3_GANP) 		5 ARG A 256
ILE A 290
PHE A 282
GLY A 281
LEU A 317
 None
 1.35A 2nyrB-5g5pA:
undetectable		 2nyrB-5g5pA:
14.77
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.
5gq0 EPITHIOSPECIFIER
PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 TYR B 306
PHE B 189
GLY B 144
LEU B 119
VAL B 140
 None
 1.31A 2nyrB-5gq0B:
undetectable		 2nyrB-5gq0B:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i08 SPIKE GLYCOPROTEIN,
ENVELOPE
GLYCOPROTEIN CHIMERA

(Human
coronavirus
HKU1;
Human
immunodeficiency
virus 1) 		PF01601
(Corona_S2)
PF09408
(Spike_rec_bind)
PF16451
(Spike_NTD) 		5 PHE A 202
GLY A 101
ASN A  99
VAL A 125
TYR A 235
 None
 1.39A 2nyrB-5i08A:
undetectable		 2nyrB-5i08A:
11.54
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.
5l3t NUCLEAR MRNA EXPORT
PROTEIN SAC3

(Saccharomyces
cerevisiae) 		PF03399
(SAC3_GANP) 		5 ARG A 256
ILE A 290
PHE A 282
GLY A 281
LEU A 317
 None
 1.33A 2nyrB-5l3tA:
undetectable		 2nyrB-5l3tA:
12.84
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.
5m8b ALPHA-L-ARABINOFURAN
OSIDASE II

(Lactobacillus
brevis) 		PF04616
(Glyco_hydro_43) 		5 ARG A 209
PHE A 317
GLY A 318
VAL A 281
TYR A 282
 None
 1.18A 2nyrB-5m8bA:
undetectable		 2nyrB-5m8bA:
20.22
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.
5m8e ALPHA-N-ARABINOFURAN
OSIDASE

(Weissella
cibaria) 		PF04616
(Glyco_hydro_43) 		5 ARG A 207
PHE A 315
GLY A 316
VAL A 279
TYR A 280
 None
 1.20A 2nyrB-5m8eA:
undetectable		 2nyrB-5m8eA:
20.56
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.
5mfa MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 ARG A 405
ILE A 568
HIS A 502
GLY A 256
LEU A 661
 HEM  A 812 (-3.7A)
None
HEM  A 812 (-3.3A)
HEM  A 812 (-3.3A)
None
 1.30A 2nyrB-5mfaA:
undetectable		 2nyrB-5mfaA:
17.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ubp LEUCINE PERMEASE
TRANSCRIPTIONAL
REGULATOR

(Saccharomyces
cerevisiae) 		PF03399
(SAC3_GANP) 		5 ARG A 256
ILE A 290
PHE A 282
GLY A 281
LEU A 317
 None
 1.30A 2nyrB-5ubpA:
undetectable		 2nyrB-5ubpA:
17.84
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.
5wnn PHOSPHATE-BINDING
PROTEIN PSTS

(Burkholderia
pseudomallei) 		PF12849
(PBP_like_2) 		5 PHE A  31
GLY A 160
LEU A 169
VAL A 100
TYR A 213
 None
PO4  A 400 (-3.6A)
None
None
None
 1.41A 2nyrB-5wnnA:
undetectable		 2nyrB-5wnnA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5y10 MEMBRANE
GLYCOPROTEIN
POLYPROTEIN

(SFTS
phlebovirus) 		PF07243
(Phlebovirus_G1) 		5 TYR C  44
ILE C  51
GLY C 312
VAL C 178
TYR C  89
 None
 1.39A 2nyrB-5y10C:
undetectable		 2nyrB-5y10C:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 GLY A 481
ASN A 565
LEU A 680
VAL A 674
TYR A 664
 None
 1.41A 2nyrB-5ydjA:
undetectable		 2nyrB-5ydjA:
16.67
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 5 ARG A 405
ILE A 568
HIS A 502
GLY A 256
LEU A 661
 None
 1.27A 2nyrB-6azpA:
undetectable		 2nyrB-6azpA:
14.13
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.
6bka NITRONATE
MONOOXYGENASE

(Cyberlindnera
mrakii) 		no annotation 5 ARG A 123
TYR A 119
GLY A 199
ASN A 297
LEU A 315
 None
 1.42A 2nyrB-6bkaA:
undetectable		 2nyrB-6bkaA:
16.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c0e ISOCITRATE
DEHYDROGENASE

(Legionella
pneumophila) 		no annotation 5 TYR A 351
ILE A  43
HIS A 345
GLY A 325
MET A 368
 EE1  A 501 (-4.4A)
None
EE1  A 501 (-3.6A)
None
None
 1.46A 2nyrB-6c0eA:
undetectable		 2nyrB-6c0eA:
15.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Danio rerio) 		no annotation 6 ARG A  67
ARG A 101
PHE A 219
GLY A 220
LEU A 228
MET A 255
 BJW  A 303 (-2.9A)
BJW  A 303 (-2.9A)
BJW  A 303 (-4.1A)
BJW  A 303 (-3.6A)
None
None
 1.36A 2nyrB-6enxA:
27.0		 2nyrB-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Danio rerio) 		no annotation 6 HIS A 154
PHE A 219
GLY A 220
LEU A 228
TYR A 251
MET A 255
 BJW  A 303 (-3.8A)
BJW  A 303 (-4.1A)
BJW  A 303 (-3.6A)
None
BJW  A 303 ( 4.6A)
None
 1.26A 2nyrB-6enxA:
27.0		 2nyrB-6enxA:
74.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6enx NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Danio rerio) 		no annotation 8 TYR A  98
ARG A 101
ILE A 138
HIS A 154
PHE A 219
GLY A 220
LEU A 228
MET A 255
 BJW  A 303 (-4.4A)
BJW  A 303 (-2.9A)
BJW  A 303 (-3.9A)
BJW  A 303 (-3.8A)
BJW  A 303 (-4.1A)
BJW  A 303 (-3.6A)
None
None
 1.03A 2nyrB-6enxA:
27.0		 2nyrB-6enxA:
74.91
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.
1dex RHAMNOGALACTURONAN
ACETYLESTERASE

(Aspergillus
aculeatus) 		PF13472
(Lipase_GDSL_2) 		4 ALA A  45
ALA A 158
ALA A 159
VAL A 128
 None
 0.89A 2nyrB-1dexA:
2.7		 2nyrB-1dexA:
24.13
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.
1ebd DIHYDROLIPOAMIDE
DEHYDROGENASE

(Geobacillus
stearothermophilus) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ALA A 359
ALA A 453
ALA A 456
GLN A 413
 None
 0.92A 2nyrB-1ebdA:
3.5		 2nyrB-1ebdA:
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.
1ezr NUCLEOSIDE HYDROLASE

(Leishmania
major) 		PF01156
(IU_nuc_hydro) 		4 ALA A 105
ALA A  49
ALA A  53
VAL A  61
 None
 0.88A 2nyrB-1ezrA:
3.7		 2nyrB-1ezrA:
22.66
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.
1ixk METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF01189
(Methyltr_RsmB-F)
PF17125
(Methyltr_RsmF_N) 		4 ALA A 261
ALA A 294
ALA A 278
GLN A 259
 None
 0.79A 2nyrB-1ixkA:
undetectable		 2nyrB-1ixkA:
20.57
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.
1j0a 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
DEAMINASE

(Pyrococcus
horikoshii) 		PF00291
(PALP) 		4 ALA A  84
ALA A 137
ALA A 141
VAL A  72
 None
 0.92A 2nyrB-1j0aA:
undetectable		 2nyrB-1j0aA:
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.
1jye LACTOSE OPERON
REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		4 ALA A 256
ALA A 183
ALA A 214
GLN A 231
 None
 0.92A 2nyrB-1jyeA:
5.2		 2nyrB-1jyeA:
21.69
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.
1keh PRECURSOR OF
CEPHALOSPORIN
ACYLASE

(Brevundimonas
diminuta) 		PF01804
(Penicil_amidase) 		4 ALA A 564
ALA A 485
ALA A 484
VAL A 551
 None
 0.94A 2nyrB-1kehA:
undetectable		 2nyrB-1kehA:
16.62
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.
1l8w VLSE1

(Borreliella
burgdorferi) 		PF00921
(Lipoprotein_2) 		4 ALA A 238
ALA A 285
ALA A 316
VAL A 226
 None
 0.91A 2nyrB-1l8wA:
undetectable		 2nyrB-1l8wA:
22.07
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.
1p7n GAG POLYPROTEIN
CAPSID PROTEIN P27

(Rous sarcoma
virus) 		no annotation 4 ALA A 134
ALA A  83
ALA A  82
GLN A  76
 None
 0.85A 2nyrB-1p7nA:
undetectable		 2nyrB-1p7nA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ppy ASPARTATE
1-DECARBOXYLASE
PRECURSOR

(Escherichia
coli) 		PF02261
(Asp_decarbox) 		4 ALA A  59
ALA A  36
ALA A 106
VAL A  13
 None
 0.93A 2nyrB-1ppyA:
undetectable		 2nyrB-1ppyA:
17.34
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.
1t3q QUINOLINE
2-OXIDOREDUCTASE
MEDIUM SUBUNIT

(Pseudomonas
putida) 		PF00941
(FAD_binding_5)
PF03450
(CO_deh_flav_C) 		4 ALA C 148
ALA C 212
ALA C 196
VAL C  96
 None
 0.89A 2nyrB-1t3qC:
undetectable		 2nyrB-1t3qC:
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.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1

(Thermus
thermophilus) 		PF02347
(GDC-P) 		4 ALA A 432
ALA A 401
ALA A 413
VAL A 366
 None
 0.91A 2nyrB-1wytA:
2.2		 2nyrB-1wytA:
22.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yzp PEROXIDASE
MANGANESE-DEPENDENT
I

(Phanerochaete
chrysosporium) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 ALA A  37
ALA A 120
GLN A  25
VAL A 293
 None
 0.74A 2nyrB-1yzpA:
undetectable		 2nyrB-1yzpA:
23.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zbu 3'-5' EXONUCLEASE
ERI1

(Homo sapiens) 		PF00929
(RNase_T) 		4 ALA A 137
ALA A 200
GLN A 242
VAL A 206
 AMP  A1002 (-3.7A)
None
None
None
 0.94A 2nyrB-1zbuA:
undetectable		 2nyrB-1zbuA:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a3n PUTATIVE
GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF01380
(SIS) 		4 ALA A  77
ALA A  48
GLN A 116
VAL A 120
 None
 0.86A 2nyrB-2a3nA:
6.5		 2nyrB-2a3nA:
22.84
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.
2adv GLUTARYL 7-
AMINOCEPHALOSPORANIC
ACID ACYLASE

(Pseudomonas sp.
SY-77-1) 		PF01804
(Penicil_amidase) 		4 ALA C 395
ALA C 316
ALA C 315
VAL C 382
 None
 0.93A 2nyrB-2advC:
undetectable		 2nyrB-2advC:
17.56
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.
2cfo GLUTAMYL-TRNA
SYNTHETASE

(Synechococcus
elongatus) 		PF00749
(tRNA-synt_1c) 		4 ALA A 447
ALA A 429
ALA A 433
GLN A 394
 None
 0.91A 2nyrB-2cfoA:
undetectable		 2nyrB-2cfoA:
22.55
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.
2cvz 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		4 ALA A 123
ALA A  89
ALA A 114
VAL A 152
 None
 0.92A 2nyrB-2cvzA:
4.1		 2nyrB-2cvzA:
23.83
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.
2fk6 RIBONUCLEASE Z

(Bacillus
subtilis) 		PF12706
(Lactamase_B_2) 		4 ALA A 232
ALA A 257
ALA A 262
VAL A 207
 None
 0.87A 2nyrB-2fk6A:
undetectable		 2nyrB-2fk6A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hz2 CYANOGLOBIN

(Synechocystis
sp. PCC 6803) 		PF01152
(Bac_globin) 		4 ALA A  17
ALA A  54
ALA A 112
VAL A  87
 None
None
None
HEM  A 125 (-4.8A)
 0.89A 2nyrB-2hz2A:
undetectable		 2nyrB-2hz2A:
19.77
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.
2iik 3-KETOACYL-COA
THIOLASE,
PEROXISOMAL

(Homo sapiens) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ALA A 129
ALA A 101
ALA A 104
VAL A  68
 None
 0.89A 2nyrB-2iikA:
undetectable		 2nyrB-2iikA:
21.55
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.
2ix8 ELONGATION FACTOR 3A

(Saccharomyces
cerevisiae) 		PF00005
(ABC_tran) 		4 ALA A1098
ALA A1150
GLN A1143
VAL A1185
 None
 0.93A 2nyrB-2ix8A:
undetectable		 2nyrB-2ix8A:
15.78
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.
2j8k NP275-NP276

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		4 ALA A 140
ALA A 115
ALA A  95
GLN A  99
 None
None
None
MES  A1176 (-3.3A)
 0.87A 2nyrB-2j8kA:
undetectable		 2nyrB-2j8kA:
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.
2kjq DNAA-RELATED PROTEIN

(Neisseria
meningitidis) 		no annotation 4 ALA A  72
ALA A  81
ALA A  84
VAL A  57
 None
 0.83A 2nyrB-2kjqA:
undetectable		 2nyrB-2kjqA:
17.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q3r 12-OXOPHYTODIENOATE
REDUCTASE 1

(Arabidopsis
thaliana) 		PF00724
(Oxidored_FMN) 		4 ALA A 185
ALA A 303
ALA A 324
GLN A 106
 None
FMN  A 373 (-3.5A)
None
FMN  A 373 (-2.8A)
 0.89A 2nyrB-2q3rA:
undetectable		 2nyrB-2q3rA:
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.
2qve TYROSINE AMINOMUTASE

(Streptomyces
globisporus) 		PF00221
(Lyase_aromatic) 		4 ALA A 379
ALA A 472
ALA A 476
VAL A 239
 None
 0.92A 2nyrB-2qveA:
undetectable		 2nyrB-2qveA:
19.02
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.
2xqy ENVELOPE
GLYCOPROTEIN H

(Suid
alphaherpesvirus
1) 		PF02489
(Herpes_glycop_H)
PF17488
(Herpes_glycoH_C) 		4 ALA A 254
ALA A 313
ALA A 159
VAL A 174
 None
 0.93A 2nyrB-2xqyA:
undetectable		 2nyrB-2xqyA:
19.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yfh GLUTAMATE
DEHYDROGENASE,
NAD-SPECIFIC
GLUTAMATE
DEHYDROGENASE,
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli;
[Clostridium]
symbiosum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 ALA A 341
ALA A 371
ALA A 370
VAL A 426
 None
 0.93A 2nyrB-2yfhA:
undetectable		 2nyrB-2yfhA:
21.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zbz CYTOCHROME P450-SU1

(Streptomyces
griseolus) 		PF00067
(p450) 		4 ALA A 361
ALA A 291
ALA A 294
GLN A 358
 HEM  A 413 (-3.5A)
HEM  A 413 ( 3.7A)
VDX  A 501 ( 3.8A)
None
 0.73A 2nyrB-2zbzA:
undetectable		 2nyrB-2zbzA:
20.56
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.
3cmb ACETOACETATE
DECARBOXYLASE

(Methanoculleus
marisnigri) 		PF06314
(ADC) 		4 ALA A  99
ALA A  63
ALA A  33
GLN A 201
 None
None
None
P33  A 269 (-3.4A)
 0.88A 2nyrB-3cmbA:
undetectable		 2nyrB-3cmbA:
21.70
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.
3cp2 TRNA URIDINE
5-CARBOXYMETHYLAMINO
METHYL MODIFICATION
ENZYME GIDA

(Escherichia
coli) 		PF01134
(GIDA)
PF13932
(GIDA_assoc) 		4 ALA A  99
ALA A  77
GLN A  44
VAL A 108
 None
 0.89A 2nyrB-3cp2A:
3.5		 2nyrB-3cp2A:
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.
3e49 UNCHARACTERIZED
PROTEIN DUF849 WITH
A TIM BARREL FOLD

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		4 ALA A 291
ALA A 247
ALA A 243
VAL A 255
 None
 0.93A 2nyrB-3e49A:
undetectable		 2nyrB-3e49A:
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.
3ek1 ALDEHYDE
DEHYDROGENASE

(Brucella
abortus) 		PF00171
(Aldedh) 		4 ALA A 395
ALA A 353
ALA A 348
VAL A 381
 None
 0.90A 2nyrB-3ek1A:
4.4		 2nyrB-3ek1A:
21.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fa5 PROTEIN OF UNKNOWN
FUNCTION (DUF849)

(Paracoccus
denitrificans) 		PF05853
(BKACE) 		4 ALA A 245
ALA A  42
ALA A  47
GLN A 215
 None
 0.92A 2nyrB-3fa5A:
undetectable		 2nyrB-3fa5A:
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.
3ftp 3-OXOACYL-[ACYL-CARR
IER PROTEIN]
REDUCTASE

(Burkholderia
pseudomallei) 		PF13561
(adh_short_C2) 		4 ALA A  15
ALA A  28
ALA A  32
VAL A  87
 None
 0.86A 2nyrB-3ftpA:
4.3		 2nyrB-3ftpA:
21.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g6e 50S RIBOSOMAL
PROTEIN L22P

(Haloarcula
marismortui) 		PF00237
(Ribosomal_L22) 		4 ALA R  43
ALA R  95
ALA R  16
VAL R 143
 None
None
G  0 500 ( 4.1A)
None
 0.76A 2nyrB-3g6eR:
undetectable		 2nyrB-3g6eR:
19.49
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.
3gaf 7-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Brucella
abortus) 		PF13561
(adh_short_C2) 		4 ALA A  19
ALA A  32
ALA A  36
VAL A  91
 None
 0.85A 2nyrB-3gafA:
4.8		 2nyrB-3gafA:
23.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gbp GALACTOSE-BINDING
PROTEIN

(Salmonella
enterica) 		PF13407
(Peripla_BP_4) 		4 ALA A  31
ALA A 273
ALA A  62
VAL A   7
 None
 0.92A 2nyrB-3gbpA:
5.9		 2nyrB-3gbpA:
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.
3hut PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		5 ALA A 140
ALA A  96
ALA A 100
GLN A 152
VAL A 112
 None
 1.45A 2nyrB-3hutA:
3.2		 2nyrB-3hutA:
23.14
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.
3j15 PROTEIN PELOTA

(Pyrococcus
furiosus) 		PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3) 		4 ALA A 321
ALA A 350
ALA A 282
VAL A 356
 None
 0.93A 2nyrB-3j15A:
undetectable		 2nyrB-3j15A:
22.03
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.
3j7y MS30

(Homo sapiens) 		PF00829
(Ribosomal_L21p) 		4 ALA s 248
ALA s 194
ALA s 198
GLN s 358
 None
 0.92A 2nyrB-3j7ys:
undetectable		 2nyrB-3j7ys:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kbh ANGIOTENSIN-CONVERTI
NG ENZYME 2

(Homo sapiens) 		PF01401
(Peptidase_M2) 		4 ALA A 396
ALA A 569
GLN A 524
VAL A 573
 None
 0.94A 2nyrB-3kbhA:
undetectable		 2nyrB-3kbhA:
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.
3lub PUTATIVE CREATININE
AMIDOHYDROLASE

(Bacteroides
fragilis) 		PF02633
(Creatininase) 		4 ALA A 143
ALA A  53
ALA A  54
VAL A  22
 None
 0.93A 2nyrB-3lubA:
undetectable		 2nyrB-3lubA:
24.33
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.
3m7n PROBABLE EXOSOME
COMPLEX EXONUCLEASE
1

(Archaeoglobus
fulgidus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		4 ALA D 143
ALA D 190
ALA D 202
VAL D 112
 None
 0.80A 2nyrB-3m7nD:
undetectable		 2nyrB-3m7nD:
23.23
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.
3mds MANGANESE SUPEROXIDE
DISMUTASE

(Thermus
thermophilus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 ALA A 186
ALA A 124
ALA A 133
VAL A 163
 None
 0.90A 2nyrB-3mdsA:
undetectable		 2nyrB-3mdsA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3on3 KETO/OXOACID
FERREDOXIN
OXIDOREDUCTASE,
GAMMA SUBUNIT

(Geobacter
sulfurreducens) 		PF01558
(POR) 		4 ALA A  72
ALA A 177
ALA A 180
GLN A 110
 None
 0.87A 2nyrB-3on3A:
2.6		 2nyrB-3on3A:
25.40
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.
3p4s FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		4 ALA A  26
ALA A 414
ALA A 187
VAL A 189
 None
 0.92A 2nyrB-3p4sA:
undetectable		 2nyrB-3p4sA:
17.79
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.
3pgx CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		4 ALA A  19
ALA A  32
ALA A  36
VAL A 104
 None
 0.94A 2nyrB-3pgxA:
4.4		 2nyrB-3pgxA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rjv PUTATIVE SEL1 REPEAT
PROTEIN

(Klebsiella
pneumoniae) 		PF08238
(Sel1) 		4 ALA A 131
ALA A  70
ALA A  73
VAL A 110
 None
 0.86A 2nyrB-3rjvA:
undetectable		 2nyrB-3rjvA:
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.
3sds ORNITHINE
CARBAMOYLTRANSFERASE
, MITOCHONDRIAL

(Coccidioides
immitis) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		4 ALA A 212
ALA A 294
ALA A 289
VAL A 284
 None
 0.84A 2nyrB-3sdsA:
3.1		 2nyrB-3sdsA:
21.55
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.
3sqg METHYL COENZYME M
REDUCTASE, ALPHA
SUBUNIT

(uncultured
archaeon) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 ALA A 325
ALA A 426
ALA A 425
GLN A 504
 None
 0.88A 2nyrB-3sqgA:
undetectable		 2nyrB-3sqgA:
17.50
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.
3sqg METHYL COENZYME M
REDUCTASE, ALPHA
SUBUNIT

(uncultured
archaeon) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		4 ALA A 326
ALA A 426
ALA A 425
GLN A 504
 None
 0.91A 2nyrB-3sqgA:
undetectable		 2nyrB-3sqgA:
17.50
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.
3swo GLUTARYL-COA
DEHYDROGENASE

(Mycolicibacterium
smegmatis) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 ALA A 159
ALA A 241
ALA A 246
GLN A 189
 None
 0.79A 2nyrB-3swoA:
undetectable		 2nyrB-3swoA:
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.
3w64 MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		4 ALA A 216
ALA A 239
ALA A 248
VAL A 274
 None
 0.90A 2nyrB-3w64A:
undetectable		 2nyrB-3w64A:
17.31
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.
3w8g MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		4 ALA A 216
ALA A 239
ALA A 248
VAL A 274
 None
 0.93A 2nyrB-3w8gA:
undetectable		 2nyrB-3w8gA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Mycobacterium
tuberculosis) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		4 ALA A 363
ALA A 271
ALA A 280
VAL A 316
 None
 0.93A 2nyrB-4a1oA:
5.1		 2nyrB-4a1oA:
19.81
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.
4bht NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Escherichia
coli) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 ALA A 342
ALA A 372
ALA A 371
VAL A 426
 None
 0.90A 2nyrB-4bhtA:
undetectable		 2nyrB-4bhtA:
20.50
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.
4cql ESTRADIOL
17-BETA-DEHYDROGENAS
E 8

(Homo sapiens) 		PF13561
(adh_short_C2) 		4 ALA A  19
ALA A  32
ALA A  36
VAL A  99
 None
 0.94A 2nyrB-4cqlA:
5.0		 2nyrB-4cqlA:
26.00
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.
4czp EXTRALONG MANGANESE
PEROXIDASE

(Gelatoporia
subvermispora) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		4 ALA A  37
ALA A 120
GLN A  25
VAL A 297
 None
 0.81A 2nyrB-4czpA:
undetectable		 2nyrB-4czpA:
24.53
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.
4djf CORRINOID/IRON-SULFU
R PROTEIN LARGE
SUBUNIT

(Moorella
thermoacetica) 		PF03599
(CdhD)
PF04060
(FeS) 		4 ALA C 288
ALA C  95
ALA C 130
VAL C  73
 None
 0.76A 2nyrB-4djfC:
undetectable		 2nyrB-4djfC:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dmm 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Synechococcus
elongatus) 		PF13561
(adh_short_C2) 		4 ALA A  16
ALA A  29
ALA A  33
VAL A  89
 None
 0.94A 2nyrB-4dmmA:
5.1		 2nyrB-4dmmA:
23.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4g1c NAD-DEPENDENT
PROTEIN DEACYLASE
SIRTUIN-5,
MITOCHONDRIAL

(Homo sapiens) 		PF02146
(SIR2) 		4 ALA A  59
ALA A  82
ALA A  86
VAL A 220
 CNA  A 402 (-3.0A)
None
None
None
 0.76A 2nyrB-4g1cA:
38.3		 2nyrB-4g1cA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g56 MGC81050 PROTEIN

(Xenopus laevis) 		PF00400
(WD40) 		4 ALA B  23
ALA B 252
ALA B 262
VAL B 270
 None
 0.86A 2nyrB-4g56B:
undetectable		 2nyrB-4g56B:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		4 ALA A 141
ALA A 361
GLN A 108
VAL A 413
 None
None
SO4  A 902 (-3.5A)
None
 0.89A 2nyrB-4i3gA:
7.3		 2nyrB-4i3gA:
15.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4imp POLYKETIDE SYNTHASE
EXTENDER MODULES 3-4

(Saccharopolyspora
spinosa) 		PF08659
(KR) 		4 ALA A 360
ALA A 284
GLN A 486
VAL A 297
 None
 0.86A 2nyrB-4impA:
4.5		 2nyrB-4impA:
18.93
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.
4jkm BETA-GLUCURONIDASE

(Clostridium
perfringens) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		4 ALA A 325
ALA A 343
GLN A 548
VAL A 405
 None
 0.94A 2nyrB-4jkmA:
undetectable		 2nyrB-4jkmA:
19.34
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.
4l3w LIPASE

(Rhizopus
microsporus) 		PF01764
(Lipase_3) 		4 ALA A  54
ALA A 178
ALA A 181
VAL A 146
 None
 0.92A 2nyrB-4l3wA:
undetectable		 2nyrB-4l3wA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m9c BACTERIAL
TRANSFERASE
HEXAPEPTIDE (THREE
REPEATS) FAMILY
PROTEIN

(Acinetobacter
baumannii) 		PF00132
(Hexapep) 		4 ALA A 152
ALA A 164
ALA A 187
VAL A 205
 None
 0.88A 2nyrB-4m9cA:
undetectable		 2nyrB-4m9cA:
23.79
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.
4mow GLUCOSE
1-DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		4 ALA A  14
ALA A  27
ALA A  31
VAL A  87
 None
 0.89A 2nyrB-4mowA:
4.8		 2nyrB-4mowA:
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.
4o99 ACETYL-COA
ACETYLTRANSFERASE

(Cupriavidus
necator) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		5 ALA A 353
ALA A  10
ALA A  37
GLN A 115
VAL A 111
 None
 1.41A 2nyrB-4o99A:
undetectable		 2nyrB-4o99A:
22.75
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.
4oko RAPID ENCYSTMENT
PHENOTYPE PROTEIN 34
KDA

(Francisella
tularensis) 		PF00246
(Peptidase_M14) 		4 ALA A 295
ALA A 222
GLN A 289
VAL A 226
 None
 0.88A 2nyrB-4okoA:
undetectable		 2nyrB-4okoA:
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.
4oo2 CHLOROPHENOL-4-MONOO
XYGENASE

(Streptomyces
globisporus) 		PF03241
(HpaB)
PF11794
(HpaB_N) 		4 ALA A 209
ALA A 201
ALA A 269
VAL A  36
 None
 0.94A 2nyrB-4oo2A:
undetectable		 2nyrB-4oo2A:
18.65
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.
4rnc ESTERASE

(Rhodococcus sp.
ECU1013) 		PF12697
(Abhydrolase_6) 		4 ALA A  79
ALA A 118
ALA A  95
VAL A  28
 None
 0.92A 2nyrB-4rncA:
2.1		 2nyrB-4rncA:
23.57
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.
4rp8 ASCORBATE-SPECIFIC
PERMEASE IIC
COMPONENT ULAA

(Escherichia
coli) 		PF03611
(EIIC-GAT) 		4 ALA A 207
ALA A 325
ALA A 322
VAL A 184
 None
 0.86A 2nyrB-4rp8A:
undetectable		 2nyrB-4rp8A:
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.
4xin LPQH ORTHOLOGUE

(Mycobacterium
avium) 		PF05481
(Myco_19_kDa) 		4 ALA A 118
ALA A 104
GLN A  72
VAL A  69
 None
 0.93A 2nyrB-4xinA:
undetectable		 2nyrB-4xinA:
16.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zev PFHAD1

(Plasmodium
falciparum) 		PF08282
(Hydrolase_3) 		4 ALA A 266
ALA A  27
ALA A  60
VAL A 219
 None
M6P  A 302 (-3.3A)
None
None
 0.75A 2nyrB-4zevA:
5.0		 2nyrB-4zevA:
21.75
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.
5boe ENOLASE

(Staphylococcus
aureus) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		4 ALA A  76
ALA A 119
ALA A  35
VAL A  21
 None
 0.89A 2nyrB-5boeA:
undetectable		 2nyrB-5boeA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5bqm SOMATOLIBERIN,BOTULI
NUM NEUROTOXIN TYPE
D

(Clostridium
botulinum;
Homo sapiens) 		PF07952
(Toxin_trans) 		4 ALA B 633
ALA B 799
ALA B 802
VAL B 621
 None
 0.86A 2nyrB-5bqmB:
undetectable		 2nyrB-5bqmB:
17.84
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.
5c4r PRECORRIN-6A
REDUCTASE

(Rhodobacter
capsulatus) 		PF02571
(CbiJ) 		4 ALA A  21
ALA A  71
GLN A  19
VAL A 237
 None
 0.92A 2nyrB-5c4rA:
6.3		 2nyrB-5c4rA:
22.86
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.
5cju ISOBUTYRYL-COA
MUTASE FUSED

(Cupriavidus
metallidurans) 		PF01642
(MM_CoA_mutase)
PF02310
(B12-binding)
PF03308
(ArgK) 		4 ALA A1020
ALA A 902
ALA A 918
VAL A 614
 None
 0.94A 2nyrB-5cjuA:
undetectable		 2nyrB-5cjuA:
13.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cw2 PUTATIVE EPOXIDE
HYDROLASE EPHA

(Mycolicibacterium
thermoresistibile) 		no annotation 4 ALA C 264
ALA C 279
ALA C 283
VAL C 123
 None
 0.68A 2nyrB-5cw2C:
2.6		 2nyrB-5cw2C:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cwi DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 4 ALA A 107
ALA A 195
ALA A 194
VAL A 228
 None
 0.83A 2nyrB-5cwiA:
undetectable		 2nyrB-5cwiA:
20.21
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.
5cwi DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 4 ALA A 137
ALA A 195
GLN A 103
VAL A 168
 None
 0.92A 2nyrB-5cwiA:
undetectable		 2nyrB-5cwiA:
20.21
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.
5cwi DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 4 ALA A 138
ALA A 134
GLN A  43
VAL A 108
 None
 0.88A 2nyrB-5cwiA:
undetectable		 2nyrB-5cwiA:
20.21
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.
5cwi DESIGNED HELICAL
REPEAT PROTEIN

(synthetic
construct) 		no annotation 4 ALA A 198
ALA A 194
GLN A 103
VAL A 168
 None
 0.82A 2nyrB-5cwiA:
undetectable		 2nyrB-5cwiA:
20.21
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.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
8

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		4 ALA B 495
ALA B 551
ALA B 550
VAL B 467
 None
 0.81A 2nyrB-5do7B:
undetectable		 2nyrB-5do7B:
17.28
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.
5exe OXALATE
OXIDOREDUCTASE
SUBUNIT DELTA

(Moorella
thermoacetica) 		PF00037
(Fer4)
PF01558
(POR) 		4 ALA B  34
ALA B 195
ALA B 144
VAL B 147
 None
 0.89A 2nyrB-5exeB:
2.2		 2nyrB-5exeB:
23.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hsp MAGNETOSOME PROTEIN
MAMM

(Magnetospirillum
gryphiswaldense) 		PF16916
(ZT_dimer) 		4 ALA A 216
ALA A 239
ALA A 248
VAL A 274
 None
 0.91A 2nyrB-5hspA:
undetectable		 2nyrB-5hspA:
18.55
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.
5hu6 HAPTOGLOBIN-HEMOGLOB
IN RECEPTOR

(Trypanosoma
brucei) 		no annotation 4 ALA D 170
ALA D 213
ALA D 216
VAL D 220
 None
 0.90A 2nyrB-5hu6D:
undetectable		 2nyrB-5hu6D:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lnq 3-KETOACYL-COA
THIOLASE-LIKE
PROTEIN

(Leishmania
mexicana) 		PF00108
(Thiolase_N)
PF02803
(Thiolase_C) 		4 ALA A 124
ALA A 317
ALA A 321
GLN A 397
 None
 0.92A 2nyrB-5lnqA:
undetectable		 2nyrB-5lnqA:
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.
5lo9 CYTOCHROME C

(Marichromatium
purpuratum) 		PF00034
(Cytochrom_C)
PF13442
(Cytochrome_CBB3) 		4 ALA A 108
ALA A 187
ALA A  95
VAL A  99
 None
 0.85A 2nyrB-5lo9A:
undetectable		 2nyrB-5lo9A:
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.
5mpi GRAINYHEAD-LIKE
PROTEIN 1 HOMOLOG

(Homo sapiens) 		no annotation 4 ALA A 355
ALA A 358
GLN A 317
VAL A 306
 None
 0.92A 2nyrB-5mpiA:
undetectable		 2nyrB-5mpiA:
14.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nfq EPOXIDE HYDROLASE
BELONGING TO
ALPHA/BETA HYDROLASE
SUPERFAMILY
METAGENOMIC FROM
TOMSK SAMPLE

(metagenome) 		no annotation 4 ALA A 132
ALA A 112
ALA A 123
VAL A 243
 None
 0.94A 2nyrB-5nfqA:
undetectable		 2nyrB-5nfqA:
15.97
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.
5uid AMINOTRANSFERASE
TLMJ

(Streptoalloteichus
hindustanus) 		PF01041
(DegT_DnrJ_EryC1) 		4 ALA A  42
ALA A 202
ALA A 205
VAL A  55
 None
 0.71A 2nyrB-5uidA:
undetectable		 2nyrB-5uidA:
23.13
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.
5w76 ANCESTRAL ELOGATION
FACTOR N153

(synthetic
construct) 		no annotation 4 ALA A  37
ALA A  42
GLN A  49
VAL A  68
 None
 0.77A 2nyrB-5w76A:
3.5		 2nyrB-5w76A:
15.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w7q CONSENSUS ELONGATION
FACTOR

(synthetic
construct) 		no annotation 4 ALA A  37
ALA A  42
GLN A  49
VAL A  68
 None
 0.87A 2nyrB-5w7qA:
3.5		 2nyrB-5w7qA:
16.38
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.
5wt4 CYSTEINE DESULFURASE
ISCS

(Helicobacter
pylori) 		no annotation 4 ALA A 322
ALA A 376
ALA A 377
VAL A 303
 None
 0.90A 2nyrB-5wt4A:
2.1		 2nyrB-5wt4A:
12.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF00374
(NiFeSe_Hases) 		4 ALA D 458
ALA D 434
ALA D 435
VAL D  37
 None
 0.89A 2nyrB-5xfaD:
undetectable		 2nyrB-5xfaD:
20.72
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.
6co0 STYRYLPYRONE
SYNTHASE 1

(Piper
methysticum) 		no annotation 4 ALA A 115
ALA A  25
ALA A 220
VAL A 189
 None
 0.94A 2nyrB-6co0A:
undetectable		 2nyrB-6co0A:
15.98
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.
6dzs HOMOSERINE
DEHYDROGENASE

(Mycolicibacterium
hassiacum) 		no annotation 4 ALA A 308
ALA A 204
ALA A 252
VAL A 291
 NAP  A 500 ( 3.9A)
None
None
None
 0.90A 2nyrB-6dzsA:
5.8		 2nyrB-6dzsA:
undetectable