SIMILAR PATTERNS OF AMINO ACIDS FOR 2NNI_A_MTKA501

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.
1b41 ACETYLCHOLINESTERASE

(Homo sapiens) 		PF00135
(COesterase) 		5 SER A 128
SER A 148
THR A 112
VAL A 139
THR A  24
 None
 1.23A 2nniA-1b41A:
0.0		 2nniA-1b41A:
23.63
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.
1cjy PROTEIN (CYTOSOLIC
PHOSPHOLIPASE A2)

(Homo sapiens) 		PF00168
(C2)
PF01735
(PLA2_B) 		5 SER A 398
THR A 290
ASN A 384
VAL A 489
VAL A 347
 None
 1.31A 2nniA-1cjyA:
0.0		 2nniA-1cjyA:
20.92
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.
1gq2 MALIC ENZYME

(Columba livia) 		PF00390
(malic)
PF03949
(Malic_M) 		5 ASN A 466
VAL A 286
ALA A 289
VAL A 502
VAL A 522
 OXL  A1583 ( 3.4A)
None
None
None
None
 1.24A 2nniA-1gq2A:
0.0		 2nniA-1gq2A:
23.72
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		5 SER A  48
THR A 264
SER A 132
ASN A 271
ASN A  45
 None
 1.25A 2nniA-1lf9A:
0.0		 2nniA-1lf9A:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qge PROTEIN
(TRIACYLGLYCEROL
HYDROLASE)

(Burkholderia
glumae) 		PF00561
(Abhydrolase_1) 		5 THR D 112
VAL D  14
ALA D  47
VAL D  72
VAL D  44
 None
 1.26A 2nniA-1qgeD:
0.0		 2nniA-1qgeD:
18.82
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.
1qp8 FORMATE
DEHYDROGENASE

(Pyrobaculum
aerophilum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 SER A  81
ASN A  82
THR A 156
ALA A 295
VAL A  56
 None
NDP  A 310 (-3.5A)
NDP  A 310 (-2.4A)
None
None
 1.27A 2nniA-1qp8A:
undetectable		 2nniA-1qp8A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qpw PORCINE HEMOGLOBIN
(ALPHA SUBUNIT)
PORCINE HEMOGLOBIN
(BETA SUBUNIT)

(Sus scrofa) 		PF00042
(Globin) 		5 SER A   3
SER A 124
ASN B  50
VAL B  33
THR B  38
 None
None
None
None
HEM  B 750 ( 4.4A)
 1.24A 2nniA-1qpwA:
undetectable		 2nniA-1qpwA:
15.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r8w GLYCEROL DEHYDRATASE

(Clostridium
butyricum) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 SER A 523
ASN A 544
ALA A 517
THR A 131
VAL A 162
 None
 1.29A 2nniA-1r8wA:
0.0		 2nniA-1r8wA:
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.
1t3i PROBABLE CYSTEINE
DESULFURASE

(Synechocystis
sp.) 		PF00266
(Aminotran_5) 		5 THR A 409
SER A 405
ASN A  25
ALA A 388
VAL A  30
 None
 1.29A 2nniA-1t3iA:
0.0		 2nniA-1t3iA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tah LIPASE

(Burkholderia
glumae) 		no annotation 5 THR B 112
VAL B  14
ALA B  47
VAL B  72
VAL B  44
 None
 1.28A 2nniA-1tahB:
0.0		 2nniA-1tahB:
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.
1uc8 LYSINE BIOSYNTHESIS
ENZYME

(Thermus
thermophilus) 		PF08443
(RimK) 		5 SER A  58
THR A 253
VAL A  76
ALA A  52
VAL A  32
 None
 1.26A 2nniA-1uc8A:
undetectable		 2nniA-1uc8A:
19.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vc2 GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE

(Thermus
thermophilus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 SER A 289
SER A 153
THR A 150
SER A 239
VAL A 167
 None
 1.22A 2nniA-1vc2A:
undetectable		 2nniA-1vc2A:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wra TEICHOIC ACID
PHOSPHORYLCHOLINE
ESTERASE/CHOLINE
BINDING PROTEIN E
(CBPE)

(Streptococcus
pneumoniae) 		PF00753
(Lactamase_B) 		5 THR A 111
ASN A 193
THR A  59
VAL A 157
THR A 162
 None
 0.95A 2nniA-1wraA:
undetectable		 2nniA-1wraA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yts YERSINIA PROTEIN
TYROSINE PHOSPHATASE

(Yersinia
enterocolitica) 		PF00102
(Y_phosphatase) 		5 SER A 428
ASN A 467
VAL A 445
ALA A 411
VAL A 251
 None
 1.18A 2nniA-1ytsA:
undetectable		 2nniA-1ytsA:
17.89
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.
1z34 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Trichomonas
vaginalis) 		PF01048
(PNP_UDP_1) 		5 SER A 155
SER A 182
THR A  15
VAL A 133
VAL A 150
 None
 1.29A 2nniA-1z34A:
undetectable		 2nniA-1z34A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zbm HYPOTHETICAL PROTEIN
AF1704

(Archaeoglobus
fulgidus) 		PF02621
(VitK2_biosynth) 		5 SER A  56
SER A  75
ASN A  42
THR A  21
ALA A  11
 None
 1.31A 2nniA-1zbmA:
undetectable		 2nniA-1zbmA:
19.17
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.
2a4k 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 SER A  16
ASN A 111
VAL A 213
ALA A 214
VAL A 133
 None
UNX  A 276 (-3.8A)
None
None
None
 0.98A 2nniA-2a4kA:
undetectable		 2nniA-2a4kA:
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.
2a4k 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 SER A  16
VAL A 213
ALA A 214
VAL A  11
VAL A 133
 None
 0.90A 2nniA-2a4kA:
undetectable		 2nniA-2a4kA:
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.
2a4k 3-OXOACYL-[ACYL
CARRIER PROTEIN]
REDUCTASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 SER A  16
VAL A 213
ALA A 214
VAL A  11
VAL A 133
 None
 1.24A 2nniA-2a4kA:
undetectable		 2nniA-2a4kA:
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.
2cfc 2-(R)-HYDROXYPROPYL-
COM DEHYDROGENASE

(Xanthobacter
autotrophicus) 		PF13561
(adh_short_C2) 		5 THR A 190
ASN A 114
VAL A 221
ALA A 222
VAL A 138
 NAD  A1251 (-2.7A)
None
None
None
None
 1.09A 2nniA-2cfcA:
undetectable		 2nniA-2cfcA:
18.39
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.
2cvt RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE CHAIN 1

(Saccharomyces
cerevisiae) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 SER A 610
THR A 199
VAL A 174
ALA A 208
THR A 210
 None
 1.29A 2nniA-2cvtA:
0.8		 2nniA-2cvtA:
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.
2ddh ACYL-COA OXIDASE

(Rattus
norvegicus) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 SER A 167
SER A 172
VAL A 189
ALA A 137
THR A 135
 None
 1.26A 2nniA-2ddhA:
2.1		 2nniA-2ddhA:
22.46
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.
2dkn 3-ALPHA-HYDROXYSTERO
ID DEHYDROGENASE

(Pseudomonas sp.
B-0831) 		PF13561
(adh_short_C2) 		5 THR A 188
ASN A  86
VAL A 220
ALA A 221
VAL A 110
 NAI  A4000 (-2.7A)
NAI  A4000 ( 4.8A)
None
None
None
 1.04A 2nniA-2dknA:
undetectable		 2nniA-2dknA:
19.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fon PEROXISOMAL ACYL-COA
OXIDASE 1A

(Solanum
lycopersicum) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 SER A 166
THR A 151
VAL A 206
ALA A 186
VAL A 222
 None
 1.15A 2nniA-2fonA:
1.5		 2nniA-2fonA:
19.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gsk VITAMIN B12
TRANSPORTER BTUB

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 SER A 415
SER A 392
THR A 370
ASN A 438
THR A 343
 None
 1.10A 2nniA-2gskA:
undetectable		 2nniA-2gskA:
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.
2hmf PROBABLE
ASPARTOKINASE

(Methanocaldococcus
jannaschii) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		5 SER A 133
VAL A  21
ALA A  22
VAL A 189
VAL A  35
 None
 1.10A 2nniA-2hmfA:
1.6		 2nniA-2hmfA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hmf PROBABLE
ASPARTOKINASE

(Methanocaldococcus
jannaschii) 		PF00696
(AA_kinase)
PF01842
(ACT)
PF13840
(ACT_7) 		5 SER A 210
VAL A  21
ALA A  22
VAL A 189
VAL A  35
 ASP  A 502 (-3.4A)
None
None
None
None
 1.30A 2nniA-2hmfA:
1.6		 2nniA-2hmfA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2isn NYSGXRC-8828Z,
PHOSPHATASE

(Toxoplasma
gondii) 		PF00481
(PP2C) 		6 SER A 103
SER A 183
THR A  15
VAL A 108
ALA A 177
VAL A  80
 None
 1.21A 2nniA-2isnA:
undetectable		 2nniA-2isnA:
21.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jer AGMATINE DEIMINASE

(Enterococcus
faecalis) 		PF04371
(PAD_porph) 		5 ASN A 354
ASN A  37
VAL A  52
ALA A  53
VAL A  94
 None
AGT  A 357 ( 4.6A)
None
None
None
 1.27A 2nniA-2jerA:
undetectable		 2nniA-2jerA:
22.54
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		5 SER A 100
SER A 103
SER A 114
ASN A 217
ALA A 292
 None
225  A 501 ( 4.0A)
None
None
None
 1.31A 2nniA-2nnjA:
63.1		 2nniA-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		12 SER A 100
SER A 103
THR A 107
SER A 114
ASN A 204
ASN A 217
THR A 240
VAL A 296
ALA A 297
THR A 301
VAL A 366
VAL A 477
 None
225  A 501 ( 4.0A)
None
None
None
None
None
None
HEM  A 500 (-3.5A)
HEM  A 500 ( 3.7A)
225  A 501 ( 3.7A)
None
 0.40A 2nniA-2nnjA:
63.1		 2nniA-2nnjA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		9 SER A 100
SER A 103
THR A 107
SER A 114
ASN A 217
VAL A 296
ALA A 297
THR A 301
VAL A 362
 None
225  A 501 ( 4.0A)
None
None
None
None
HEM  A 500 (-3.5A)
HEM  A 500 ( 3.7A)
HEM  A 500 ( 4.9A)
 1.45A 2nniA-2nnjA:
63.1		 2nniA-2nnjA:
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.
2p65 HYPOTHETICAL PROTEIN
PF08_0063

(Plasmodium
falciparum) 		PF00004
(AAA) 		5 SER A  39
SER A  75
ASN A  45
VAL A 118
VAL A  60
 None
 1.26A 2nniA-2p65A:
undetectable		 2nniA-2p65A:
17.41
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.
2pm9 PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 SER A  71
VAL A  24
ALA A  14
THR A  12
VAL A 114
 None
 1.21A 2nniA-2pm9A:
undetectable		 2nniA-2pm9A:
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.
2v8o FLAVIVIRIN PROTEASE
NS3

(Murray Valley
encephalitis
virus) 		PF00271
(Helicase_C)
PF07652
(Flavi_DEAD) 		5 THR A 267
VAL A 545
ALA A 548
VAL A 601
VAL A 442
 None
 1.31A 2nniA-2v8oA:
undetectable		 2nniA-2v8oA:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vxo GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Homo sapiens) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		5 SER A 676
SER A 634
THR A 616
VAL A 561
VAL A 568
 None
 1.20A 2nniA-2vxoA:
undetectable		 2nniA-2vxoA:
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.
2wgh RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 SER A 606
THR A 199
VAL A 174
ALA A 208
THR A 210
 GOL  A1743 (-4.4A)
GOL  A1743 ( 4.8A)
None
None
None
 1.17A 2nniA-2wghA:
undetectable		 2nniA-2wghA:
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.
2wv9 FLAVIVIRIN PROTEASE
NS2B REGULATORY
SUBUNIT, FLAVIVIRIN
PROTEASE NS3
CATALYTIC SUBUNIT

(Murray Valley
encephalitis
virus) 		PF00271
(Helicase_C)
PF00949
(Peptidase_S7)
PF01002
(Flavi_NS2B)
PF07652
(Flavi_DEAD) 		5 THR A 267
VAL A 545
ALA A 548
VAL A 601
VAL A 442
 None
 1.31A 2nniA-2wv9A:
undetectable		 2nniA-2wv9A:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yx6 HYPOTHETICAL PROTEIN
PH0822

(Pyrococcus
horikoshii) 		PF02579
(Nitro_FeMo-Co) 		5 SER A  24
SER A  18
VAL A  98
VAL A  28
VAL A   3
 None
 1.27A 2nniA-2yx6A:
undetectable		 2nniA-2yx6A:
12.97
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.
2z2z TK-SUBTILISIN
PRECURSOR

(Thermococcus
kodakarensis) 		PF00082
(Peptidase_S8) 		5 SER A 234
SER A 232
SER A 331
VAL A 177
ALA A 174
 None
 1.21A 2nniA-2z2zA:
undetectable		 2nniA-2z2zA:
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.
2zb3 PROSTAGLANDIN
REDUCTASE 2

(Mus musculus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 SER A 257
ASN A 207
VAL A 213
ALA A 214
VAL A 159
 None
 1.30A 2nniA-2zb3A:
undetectable		 2nniA-2zb3A:
20.08
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.
2zb4 PROSTAGLANDIN
REDUCTASE 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 SER A 257
ASN A 207
VAL A 213
ALA A 214
VAL A 159
 NAP  A 500 (-4.9A)
None
None
None
None
 1.16A 2nniA-2zb4A:
undetectable		 2nniA-2zb4A:
21.13
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.
2zgk ANTI-TUMOR LECTIN

(Agrocybe
aegerita) 		PF00337
(Gal-bind_lectin) 		5 THR A  12
ASN A  48
THR A  45
ALA A 151
VAL A  20
 None
 1.11A 2nniA-2zgkA:
undetectable		 2nniA-2zgkA:
17.16
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.
3aw8 PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Thermus
thermophilus) 		PF02222
(ATP-grasp) 		5 SER A 211
SER A 266
SER A 182
VAL A 242
ALA A 185
 None
 1.29A 2nniA-3aw8A:
undetectable		 2nniA-3aw8A:
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.
3b2z ADAMTS-4

(Homo sapiens) 		PF01421
(Reprolysin) 		5 SER A 408
ASN A 381
THR A 337
ALA A 360
VAL A 398
 None
 1.29A 2nniA-3b2zA:
undetectable		 2nniA-3b2zA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dwi CYSTEINE SYNTHASE B

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 THR A 188
ASN A  45
VAL A 269
ALA A 268
THR A 251
 PLP  A 401 (-3.7A)
None
None
None
None
 1.24A 2nniA-3dwiA:
undetectable		 2nniA-3dwiA:
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.
3e9z PURINE-NUCLEOSIDE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 SER A 125
ASN A 123
VAL A 177
ALA A 180
VAL A 240
 None
 1.09A 2nniA-3e9zA:
undetectable		 2nniA-3e9zA:
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.
3efm FERRIC ALCALIGIN
SIDEROPHORE RECEPTOR

(Bordetella
pertussis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 SER A 464
THR A 441
THR A  50
VAL A 133
ALA A 149
 None
 1.27A 2nniA-3efmA:
undetectable		 2nniA-3efmA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3evr MYOSIN LIGHT CHAIN
KINASE, GREEN
FLUORESCENT PROTEIN,
CALMODULIN-1 CHIMERA

(Aequorea
victoria;
Rattus
norvegicus) 		PF01353
(GFP)
PF13499
(EF-hand_7) 		5 SER A 230
THR A 116
THR A 303
VAL A 219
VAL A 174
 None
CRO  A 224 ( 3.1A)
None
CRO  A 224 ( 4.6A)
None
 1.28A 2nniA-3evrA:
undetectable		 2nniA-3evrA:
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.
3ez4 3-METHYL-2-OXOBUTANO
ATE
HYDROXYMETHYLTRANSFE
RASE

(Burkholderia
pseudomallei) 		PF02548
(Pantoate_transf) 		5 THR A  87
SER A  97
THR A  55
ALA A  81
VAL A 129
 None
 1.07A 2nniA-3ez4A:
undetectable		 2nniA-3ez4A:
18.50
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.
3f6t ASPARTATE
AMINOTRANSFERASE

(Lactobacillus
acidophilus) 		PF00155
(Aminotran_1_2) 		6 SER A 311
SER A 309
ASN A  41
THR A 396
ALA A 288
VAL A 418
 LLP  A 312 ( 2.6A)
LLP  A 312 ( 2.5A)
None
None
None
None
 1.49A 2nniA-3f6tA:
undetectable		 2nniA-3f6tA:
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.
3gza PUTATIVE
ALPHA-L-FUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01120
(Alpha_L_fucos) 		5 SER A 250
ASN A 393
ASN A 327
ALA A 447
VAL A 442
 None
 1.24A 2nniA-3gzaA:
undetectable		 2nniA-3gzaA:
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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT BETA

(Moorella
thermoacetica) 		PF03063
(Prismane) 		5 SER A 264
ASN A 277
THR A 343
VAL A 279
VAL A 322
 None
 1.26A 2nniA-3i04A:
0.0		 2nniA-3i04A:
20.14
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.
3i4g SUSD-LIKE
CARBOHYDRATE BINDING
PROTEIN BF1063

(Bacteroides
fragilis) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 SER A  95
ASN A  89
ALA A  81
THR A 376
VAL A 518
 None
 1.25A 2nniA-3i4gA:
undetectable		 2nniA-3i4gA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k96 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE
[NAD(P)+]

(Coxiella
burnetii) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 THR A 249
SER A 255
ASN A 286
ALA A 141
VAL A  82
 None
 1.23A 2nniA-3k96A:
undetectable		 2nniA-3k96A:
21.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kcq PHOSPHORIBOSYLGLYCIN
AMIDE
FORMYLTRANSFERASE

(Anaplasma
phagocytophilum) 		PF00551
(Formyl_trans_N) 		5 SER A  30
THR A  27
ALA A  20
VAL A 180
VAL A   9
 None
 1.26A 2nniA-3kcqA:
undetectable		 2nniA-3kcqA:
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.
3l7z PROBABLE EXOSOME
COMPLEX EXONUCLEASE
2

(Sulfolobus
solfataricus) 		PF01138
(RNase_PH)
PF03725
(RNase_PH_C) 		5 SER A 197
SER A 224
ASN A 152
VAL A 162
VAL A 144
 None
 1.19A 2nniA-3l7zA:
undetectable		 2nniA-3l7zA:
20.92
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.
3lto MEVALONATE
DIPHOSPHATE
DECARBOXYLASE

(Legionella
pneumophila) 		no annotation 5 SER A  49
SER A 161
ASN A 107
ALA A  20
THR A 289
 None
None
None
SO4  A 400 (-3.3A)
None
 1.03A 2nniA-3ltoA:
undetectable		 2nniA-3ltoA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nv9 MALIC ENZYME

(Entamoeba
histolytica) 		PF00390
(malic)
PF03949
(Malic_M) 		5 SER A 171
THR A 100
VAL A 151
ALA A 150
VAL A 181
 None
 1.12A 2nniA-3nv9A:
undetectable		 2nniA-3nv9A:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ojl CAP5O

(Staphylococcus
aureus) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 SER A 324
THR A 295
VAL A 309
ALA A 343
VAL A 348
 None
 0.92A 2nniA-3ojlA:
undetectable		 2nniA-3ojlA:
22.00
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.
3ouo NUCLEOPROTEIN

(Rift Valley
fever
phlebovirus) 		PF05733
(Tenui_N) 		5 SER A 105
THR A 115
SER A 148
ASN A  66
VAL A 179
 None
 1.21A 2nniA-3ouoA:
undetectable		 2nniA-3ouoA:
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.
3rku OXIDOREDUCTASE
YMR226C

(Saccharomyces
cerevisiae) 		PF00106
(adh_short) 		5 THR A 203
ASN A 127
VAL A 232
ALA A 233
VAL A 151
 NAP  A 268 (-2.5A)
None
None
None
None
 1.14A 2nniA-3rkuA:
undetectable		 2nniA-3rkuA:
19.92
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.
3sju KETO REDUCTASE

(Streptomyces
griseoruber) 		PF00106
(adh_short) 		5 THR A 190
VAL A 230
ALA A 231
VAL A   9
VAL A 138
 NDP  A 301 (-2.8A)
None
None
None
None
 0.97A 2nniA-3sjuA:
undetectable		 2nniA-3sjuA:
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.
3sx2 PUTATIVE
3-KETOACYL-(ACYL-CAR
RIER-PROTEIN)
REDUCTASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 THR A 208
ASN A 127
VAL A 247
ALA A 248
VAL A 152
 NAD  A 300 (-2.8A)
NAD  A 300 ( 4.6A)
None
None
None
 1.11A 2nniA-3sx2A:
undetectable		 2nniA-3sx2A:
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.
3vc7 PUTATIVE
OXIDOREDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 THR A 186
VAL A 221
ALA A 222
VAL A  12
VAL A 134
 None
 1.02A 2nniA-3vc7A:
undetectable		 2nniA-3vc7A:
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.
3wsv L-LACTATE
DEHYDROGENASE

(Enterococcus
mundtii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 SER A 181
SER A 302
ALA A 308
THR A 312
VAL A  95
 None
 1.28A 2nniA-3wsvA:
undetectable		 2nniA-3wsvA:
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.
4bpl IMPORTIN SUBUNIT
ALPHA-1A
NUCLEOPLASMIN NLS

(Oryza sativa;
Xenopus) 		PF00514
(Arm)
PF16186
(Arm_3)
no annotation 		5 SER B 152
SER A 398
THR A 319
ALA A 392
VAL A 431
 None
 1.13A 2nniA-4bplB:
undetectable		 2nniA-4bplB:
3.42
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.
4bzk PROTEIN TRANSPORT
PROTEIN SEC31

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12931
(Sec16_C) 		5 SER A  71
VAL A  24
ALA A  14
THR A  12
VAL A 114
 None
 1.21A 2nniA-4bzkA:
undetectable		 2nniA-4bzkA:
16.03
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.
4dyj BROAD SPECIFICITY
AMINO ACID RACEMASE

(Pseudomonas
putida) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ASN A 245
ASN A 175
THR A 270
ALA A  72
VAL A 119
 LLP  A  75 ( 4.2A)
None
None
None
None
 1.28A 2nniA-4dyjA:
undetectable		 2nniA-4dyjA:
23.76
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.
4e84 D-BETA-D-HEPTOSE
7-PHOSPHATE KINASE

(Burkholderia
cenocepacia) 		PF00294
(PfkB) 		5 SER A  95
SER A  96
ASN A  62
VAL A  26
THR A 110
 None
 1.27A 2nniA-4e84A:
undetectable		 2nniA-4e84A:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ht4 NICKING ENZYME

(Staphylococcus
aureus) 		PF03389
(MobA_MobL) 		5 SER A  29
SER A  27
SER A  50
THR A 137
VAL A  72
 None
None
CA  A 202 ( 4.9A)
None
None
 1.15A 2nniA-4ht4A:
undetectable		 2nniA-4ht4A:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		5 SER A 180
THR A 272
VAL A 148
ALA A 122
VAL A 143
 None
 1.28A 2nniA-4kpoA:
undetectable		 2nniA-4kpoA:
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.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 THR A 161
THR A 169
VAL A 176
ALA A 202
VAL A 180
 None
None
None
None
PLP  A 403 (-3.9A)
 0.92A 2nniA-4lmbA:
undetectable		 2nniA-4lmbA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lmb CYSTEINE SYNTHASE

(Microcystis
aeruginosa) 		PF00291
(PALP) 		5 THR A 161
THR A 169
VAL A 176
ALA A 202
VAL A 205
 None
 1.20A 2nniA-4lmbA:
undetectable		 2nniA-4lmbA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ppz SUCCINYL-DIAMINOPIME
LATE DESUCCINYLASE

(Neisseria
meningitidis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 THR A 326
THR A 166
VAL A 162
ALA A  66
VAL A 147
 None
 1.14A 2nniA-4ppzA:
undetectable		 2nniA-4ppzA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ry1 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Pectobacterium
atrosepticum) 		PF13416
(SBP_bac_8) 		5 SER A 316
SER A 315
THR A 144
SER A 279
VAL A 344
 None
GOL  A 501 (-4.4A)
GOL  A 501 ( 4.6A)
GOL  A 501 (-2.8A)
None
 1.26A 2nniA-4ry1A:
undetectable		 2nniA-4ry1A:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tr2 SUBTILISIN-LIKE 1
SERINE PROTEASE

(Plasmodium
vivax) 		PF00082
(Peptidase_S8) 		5 SER A 552
SER A 549
ASN A 370
ASN A 432
VAL A  64
 None
 1.27A 2nniA-4tr2A:
undetectable		 2nniA-4tr2A:
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.
4whb PHENYLUREA HYDROLASE
B

(Mycolicibacterium
brisbanense) 		no annotation 5 SER E 210
SER E 254
THR E 252
SER E 263
ASN E 342
 None
 1.22A 2nniA-4whbE:
undetectable		 2nniA-4whbE:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4whb PHENYLUREA HYDROLASE
B

(Mycolicibacterium
brisbanense) 		no annotation 5 THR E 301
SER E 378
ASN E  65
ALA E 392
VAL E 107
 None
 1.27A 2nniA-4whbE:
undetectable		 2nniA-4whbE:
20.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y0b DOUBLE CLP-N MOTIF
PROTEIN

(Arabidopsis
thaliana) 		PF02861
(Clp_N) 		5 SER A  93
THR A 164
VAL A 196
VAL A 126
VAL A 135
 None
 1.06A 2nniA-4y0bA:
undetectable		 2nniA-4y0bA:
19.12
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.
4za2 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE

(Pectobacterium
carotovorum) 		PF13561
(adh_short_C2) 		5 SER A 148
SER A 161
ASN A  92
VAL A 168
VAL A 183
 None
 1.22A 2nniA-4za2A:
undetectable		 2nniA-4za2A:
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.
5dx5 METHIONINE
GAMMA-LYASE

(Clostridium
sporogenes) 		PF01053
(Cys_Met_Meta_PP) 		5 THR A 248
SER A 253
THR A 244
VAL A  83
ALA A  82
 None
 1.31A 2nniA-5dx5A:
undetectable		 2nniA-5dx5A:
24.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fbz ENZYME SUBTILASE
SUBHAL FROM BACILLUS
HALMAPALUS

(Bacillus
halmapalus) 		PF00082
(Peptidase_S8)
PF04151
(PPC) 		5 SER A 347
ASN A 400
ALA A 221
THR A 184
VAL A 295
 None
 1.31A 2nniA-5fbzA:
undetectable		 2nniA-5fbzA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 SER A  45
ASN A 680
VAL A  54
ALA A  60
VAL A 642
 None
 1.03A 2nniA-5fp1A:
undetectable		 2nniA-5fp1A:
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.
5g5x NANOBODY
SITE-2 PROTEASE

(Archaeoglobus
fulgidus;
Lama glama) 		PF00571
(CBS)
PF07686
(V-set) 		5 SER B  56
THR B  52
THR B  96
VAL A 292
VAL A 275
 None
 1.19A 2nniA-5g5xB:
undetectable		 2nniA-5g5xB:
13.87
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.
5gm3 ENDOGLUCANASE-1

(Aspergillus
aculeatus) 		PF01670
(Glyco_hydro_12) 		5 THR A  49
VAL A  98
ALA A  99
VAL A  60
VAL A 129
 None
 1.20A 2nniA-5gm3A:
undetectable		 2nniA-5gm3A:
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.
5hct ENDOTHIAPEPSIN

(Cryphonectria
parasitica) 		PF00026
(Asp) 		5 SER A   1
SER A 151
ASN A 170
VAL A 101
VAL A  21
 None
 1.28A 2nniA-5hctA:
undetectable		 2nniA-5hctA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i68 ALCOHOL OXIDASE 1

(Komagataella
pastoris) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 SER A  19
SER A 204
SER A  94
THR A 198
VAL A  89
 None
 1.26A 2nniA-5i68A:
undetectable		 2nniA-5i68A:
20.64
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.
5j1t TORSIN-1A

(Homo sapiens) 		PF06309
(Torsin) 		5 SER A 112
ASN A 118
VAL A  83
ALA A  82
VAL A 267
 None
 1.23A 2nniA-5j1tA:
undetectable		 2nniA-5j1tA:
20.09
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.
5k70 PROTEIN SIDEKICK-2

(Mus musculus) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 ASN A 246
ALA A 221
THR A 196
VAL A 273
VAL A 276
 None
 1.10A 2nniA-5k70A:
undetectable		 2nniA-5k70A:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nl1 TALIN-1

(Mus musculus) 		no annotation 5 SER A 582
SER A 581
SER A 502
ALA A 626
THR A 561
 None
 1.31A 2nniA-5nl1A:
2.6		 2nniA-5nl1A:
10.27
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.
5tus RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE
LARGE SUBUNIT

(Homo sapiens) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 SER A 606
THR A 199
VAL A 174
ALA A 208
THR A 210
 None
 1.23A 2nniA-5tusA:
undetectable		 2nniA-5tusA:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2w SHORT CHAIN
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00106
(adh_short) 		5 THR A 190
VAL A 218
ALA A 219
VAL A  11
VAL A 137
 NAP  A 301 (-2.8A)
None
None
None
None
 0.74A 2nniA-5u2wA:
undetectable		 2nniA-5u2wA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uvq SCABIN

(Streptomyces
scabiei) 		no annotation 5 SER A 131
VAL A  85
ALA A  84
VAL A 175
VAL A 172
 None
 1.00A 2nniA-5uvqA:
undetectable		 2nniA-5uvqA:
9.91
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.
5x9a CALAXIN

(Ciona
intestinalis) 		no annotation 5 SER A 188
VAL A  66
ALA A  69
THR A 104
VAL A  89
 None
 1.31A 2nniA-5x9aA:
undetectable		 2nniA-5x9aA:
10.92
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.
5xmr SERINE
HYDROXYMETHYLTRANSFE
RASE

(Plasmodium
vivax) 		no annotation 5 SER A  55
THR A 233
VAL A 281
ALA A 280
VAL A  50
 None
 1.28A 2nniA-5xmrA:
undetectable		 2nniA-5xmrA:
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.
5y79 PUTATIVE HEXOSE
PHOSPHATE
TRANSLOCATOR

(Galdieria
sulphuraria) 		PF03151
(TPT) 		5 SER A 178
THR A 182
ASN A 340
ALA A 149
THR A 153
 None
None
3PG  A 516 ( 4.7A)
OLC  A 504 ( 3.9A)
OLC  A 504 (-4.1A)
 1.25A 2nniA-5y79A:
1.8		 2nniA-5y79A:
18.63
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.
6cet GATOR COMPLEX
PROTEIN DEPDC5

(Homo sapiens) 		no annotation 5 SER D 213
SER D 168
THR D 329
SER D 166
ALA D 139
 None
 1.11A 2nniA-6cetD:
undetectable		 2nniA-6cetD:
10.20
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.
6esq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Methanothermococcus
thermolithotrophicus) 		no annotation 5 SER I 273
SER I  81
THR I  52
SER I  83
ALA I  87
 None
 1.27A 2nniA-6esqI:
undetectable		 2nniA-6esqI:
10.72
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.
6eu2 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC3
DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC7

(Saccharomyces
cerevisiae) 		no annotation 5 THR Q  72
SER O  97
VAL O  53
VAL O 104
VAL O  69
 None
 1.13A 2nniA-6eu2Q:
undetectable		 2nniA-6eu2Q:
11.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aha ALPHA-MOMORCHARIN

(Momordica
charantia) 		PF00161
(RIP) 		4 ILE A 155
ILE A 167
ILE A 125
ASN A 110
 ADE  A 339 (-4.1A)
None
None
None
 0.66A 2nniA-1ahaA:
0.0		 2nniA-1ahaA:
19.24
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.
1ajz DIHYDROPTEROATE
SYNTHASE

(Escherichia
coli) 		PF00809
(Pterin_bind) 		4 ILE A  85
ILE A  38
ASN A  22
VAL A  23
 None
None
SO4  A 283 (-3.4A)
None
 0.69A 2nniA-1ajzA:
undetectable		 2nniA-1ajzA:
20.46
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.
1c8b SPORE PROTEASE

(Bacillus
megaterium) 		PF03418
(Peptidase_A25) 		5 ILE A 590
ILE A 628
ILE A 509
ASN A 586
VAL A 582
 None
 1.20A 2nniA-1c8bA:
0.0		 2nniA-1c8bA:
23.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1do5 HUMAN COPPER
CHAPERONE FOR
SUPEROXIDE DISMUTASE
DOMAIN II

(Homo sapiens) 		PF00080
(Sod_Cu) 		5 ILE A 200
ILE A 199
ILE A 230
ILE A 119
ASN A 140
 None
 1.18A 2nniA-1do5A:
0.0		 2nniA-1do5A:
15.74
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.
1ds9 OUTER ARM DYNEIN

(Chlamydomonas
reinhardtii) 		PF12799
(LRR_4) 		4 ILE A 111
ILE A  82
ASN A 116
VAL A 115
 None
 0.66A 2nniA-1ds9A:
0.0		 2nniA-1ds9A:
18.91
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.
1e19 CARBAMATE KINASE

(Pyrococcus
furiosus) 		PF00696
(AA_kinase) 		4 ILE A  49
ILE A   7
ILE A  93
ALA A 295
 None
 0.70A 2nniA-1e19A:
0.0		 2nniA-1e19A:
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.
1epv ALANINE RACEMASE

(Geobacillus
stearothermophilus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 ILE A 306
ILE A 317
ARG A 250
ILE A 310
VAL A 329
 None
 1.29A 2nniA-1epvA:
0.0		 2nniA-1epvA:
22.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gtm GLUTAMATE
DEHYDROGENASE

(Pyrococcus
furiosus) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 ILE A 217
ILE A 279
ILE A 215
VAL A 260
 None
 0.70A 2nniA-1gtmA:
0.7		 2nniA-1gtmA:
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.
1h65 CHLOROPLAST OUTER
ENVELOPE PROTEIN
OEP34

(Pisum sativum) 		PF04548
(AIG1) 		4 ILE A  42
ILE A  14
ASN A  31
ALA A 243
 None
 0.53A 2nniA-1h65A:
0.0		 2nniA-1h65A:
21.46
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.
1hkg HEXOKINASE A

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		4 ILE A 208
ASN A 198
VAL A 197
ALA A 435
 None
 0.61A 2nniA-1hkgA:
undetectable		 2nniA-1hkgA:
18.96
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.
1j83 ENDO-1,4-BETA
GLUCANASE ENGF

(Clostridium
cellulovorans) 		PF03424
(CBM_17_28) 		4 ILE A1197
ILE A1060
ASN A1121
VAL A1122
 None
 0.58A 2nniA-1j83A:
undetectable		 2nniA-1j83A:
18.22
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.
1ja9 1,3,6,8-TETRAHYDROXY
NAPHTHALENE
REDUCTASE

(Magnaporthe
grisea) 		PF13561
(adh_short_C2) 		4 ILE A  41
ILE A  45
ARG A 158
ALA A  32
 NDP  A 402 (-4.0A)
None
None
None
 0.65A 2nniA-1ja9A:
undetectable		 2nniA-1ja9A:
21.13
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.
1kcz BETA-METHYLASPARTASE

(Clostridium
tetanomorphum) 		PF05034
(MAAL_N)
PF07476
(MAAL_C) 		5 ILE A 341
ILE A 330
ARG A 281
VAL A 316
ALA A 306
 None
 1.20A 2nniA-1kczA:
undetectable		 2nniA-1kczA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1lhu SEX HORMONE-BINDING
GLOBULIN

(Homo sapiens) 		PF00054
(Laminin_G_1) 		4 ILE A  55
ARG A 166
ILE A 141
VAL A  46
 None
None
EST  A 301 (-4.5A)
None
 0.69A 2nniA-1lhuA:
undetectable		 2nniA-1lhuA:
19.17
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.
1mxf PTERIDINE REDUCTASE
2

(Trypanosoma
cruzi) 		PF13561
(adh_short_C2) 		5 ILE A 245
ILE A 249
ASN A 100
VAL A  99
ALA A  14
 None
 1.41A 2nniA-1mxfA:
undetectable		 2nniA-1mxfA:
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.
1obb ALPHA-GLUCOSIDASE

(Thermotoga
maritima) 		PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C) 		4 ILE A 461
ILE A 464
ILE A 438
ASN A 125
 None
 0.53A 2nniA-1obbA:
undetectable		 2nniA-1obbA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1of3 BETA-MANNOSIDASE

(Thermotoga
maritima) 		PF09212
(CBM27) 		5 ILE A 164
ILE A  82
ILE A 122
ASN A 112
ALA A 119
 None
 1.06A 2nniA-1of3A:
undetectable		 2nniA-1of3A:
17.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pd1 PROTEIN TRANSPORT
PROTEIN SEC24

(Saccharomyces
cerevisiae) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 ILE A 347
ILE A 345
ILE A 435
ILE A 310
ALA A 304
 None
 0.87A 2nniA-1pd1A:
1.3		 2nniA-1pd1A:
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.
1pv9 XAA-PRO DIPEPTIDASE

(Pyrococcus
furiosus) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		4 ILE A 310
ILE A 312
ARG A 247
ILE A 332
 None
 0.71A 2nniA-1pv9A:
undetectable		 2nniA-1pv9A:
21.46
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.
1spx SHORT-CHAIN
REDUCTASE FAMILY
MEMBER (5L265)

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		5 ILE A 235
ILE A 239
ASN A  92
VAL A  91
ALA A   9
 None
 1.41A 2nniA-1spxA:
undetectable		 2nniA-1spxA:
19.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1suw PROBABLE INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Archaeoglobus
fulgidus) 		PF01513
(NAD_kinase) 		5 ILE A 220
ILE A 222
ILE A 148
ARG A 102
VAL A 103
 None
 1.42A 2nniA-1suwA:
undetectable		 2nniA-1suwA:
19.00
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.
1svd RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Halothiobacillus
neapolitanus) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		4 ILE A 310
ILE A 286
ILE A 294
VAL A 106
 None
 0.67A 2nniA-1svdA:
undetectable		 2nniA-1svdA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t9k PROBABLE
METHYLTHIORIBOSE-1-P
HOSPHATE ISOMERASE

(Thermotoga
maritima) 		PF01008
(IF-2B) 		4 ILE A 322
ILE A 337
ARG A 276
ILE A 319
 None
 0.65A 2nniA-1t9kA:
1.3		 2nniA-1t9kA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tcs TRICHOSANTHIN

(Trichosanthes
kirilowii) 		PF00161
(RIP) 		4 ILE A 155
ILE A 167
ILE A 125
ASN A 110
 NDP  A 280 (-3.9A)
None
None
None
 0.71A 2nniA-1tcsA:
undetectable		 2nniA-1tcsA:
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.
1tdq AGGRECAN CORE
PROTEIN

(Rattus
norvegicus) 		PF00059
(Lectin_C) 		5 ILE B  41
ILE B  60
ILE B 103
ARG B  65
ASN B  63
 None
 1.24A 2nniA-1tdqB:
undetectable		 2nniA-1tdqB:
11.90
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.
1u08 HYPOTHETICAL
AMINOTRANSFERASE
YBDL

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		5 ILE A 108
ILE A 200
ILE A 197
ILE A 132
ASN A 170
 None
None
None
None
PLP  A 400 (-3.1A)
 1.22A 2nniA-1u08A:
undetectable		 2nniA-1u08A:
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.
1umg 385AA LONG CONSERVED
HYPOTHETICAL PROTEIN

(Sulfurisphaera
tokodaii) 		PF01950
(FBPase_3) 		4 ILE A 238
ARG A  63
ILE A 126
ALA A  74
 None
 0.70A 2nniA-1umgA:
undetectable		 2nniA-1umgA:
23.17
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.
1vdk FUMARATE HYDRATASE
CLASS II

(Thermus
thermophilus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 ILE A 111
ILE A  46
ASN A 135
VAL A 134
ALA A 128
 None
 1.40A 2nniA-1vdkA:
undetectable		 2nniA-1vdkA:
20.92
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.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		4 ILE A 162
ILE A 158
ARG A 195
ILE A 171
 None
 0.69A 2nniA-1wg8A:
undetectable		 2nniA-1wg8A:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x1e 2-DEOXY-D-GLUCONATE
3-DEHYDROGENASE

(Thermus
thermophilus) 		PF13561
(adh_short_C2) 		5 ILE A  14
ILE A  18
ILE A  31
ARG A 123
ALA A   5
 None
 1.34A 2nniA-1x1eA:
undetectable		 2nniA-1x1eA:
19.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xhl SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY MEMBER
(5L265), PUTATIVE
TROPINONE
REDUCTASE-II

(Caenorhabditis
elegans) 		PF13561
(adh_short_C2) 		5 ILE A  35
ILE A  11
ILE A  60
VAL A  91
ALA A 241
 None
 1.47A 2nniA-1xhlA:
undetectable		 2nniA-1xhlA:
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.
1yaa ASPARTATE
AMINOTRANSFERASE

(Saccharomyces
cerevisiae) 		PF00155
(Aminotran_1_2) 		4 ILE A  86
ILE A  87
VAL A 252
ALA A 269
 None
 0.63A 2nniA-1yaaA:
undetectable		 2nniA-1yaaA:
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.
1zjy R-SPECIFIC ALCOHOL
DEHYDROGENASE

(Lactobacillus
brevis) 		PF13561
(adh_short_C2) 		5 ILE A  22
ILE A  56
ASN A  88
VAL A  87
ALA A   9
 None
 1.26A 2nniA-1zjyA:
undetectable		 2nniA-1zjyA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bi3 PHOSPHOSERINE
AMINOTRANSFERASE

(Bacillus
alcalophilus) 		PF00266
(Aminotran_5) 		5 ILE A 273
ILE A 274
ARG A 334
ILE A 343
VAL A 299
 None
None
CL  A1365 (-3.4A)
None
None
 1.41A 2nniA-2bi3A:
undetectable		 2nniA-2bi3A:
20.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c07 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Plasmodium
falciparum) 		PF13561
(adh_short_C2) 		4 ILE A  75
ILE A  79
ARG A 193
ALA A  66
 None
 0.67A 2nniA-2c07A:
undetectable		 2nniA-2c07A:
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.
2c5a GDP-MANNOSE-3',
5'-EPIMERASE

(Arabidopsis
thaliana) 		PF01370
(Epimerase) 		4 ILE A 135
ILE A 194
ASN A 125
ALA A  99
 None
None
None
NAD  A1378 (-3.8A)
 0.71A 2nniA-2c5aA:
undetectable		 2nniA-2c5aA:
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.
2cmt PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
E

(Schistosoma
mansoni) 		PF00160
(Pro_isomerase) 		4 ILE A  17
ILE A  19
ILE A  27
VAL A 152
 None
 0.68A 2nniA-2cmtA:
undetectable		 2nniA-2cmtA:
16.39
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.
2ddu REELIN

(Mus musculus) 		no annotation 4 ILE A1561
ILE A1563
ILE A1597
ILE A1511
 None
 0.66A 2nniA-2dduA:
undetectable		 2nniA-2dduA:
18.49
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.
2dis UNNAMED PROTEIN
PRODUCT

(Homo sapiens) 		PF00076
(RRM_1) 		5 ILE A  16
ILE A  13
ILE A  77
VAL A  57
ALA A  68
 None
 1.36A 2nniA-2disA:
undetectable		 2nniA-2disA:
13.76
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.
2eh6 ACETYLORNITHINE
AMINOTRANSFERASE

(Aquifex
aeolicus) 		PF00202
(Aminotran_3) 		4 ILE A 176
ILE A 178
ILE A 237
ALA A 226
 None
 0.66A 2nniA-2eh6A:
undetectable		 2nniA-2eh6A:
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.
2eid GALACTOSE OXIDASE

(Fusarium
graminearum) 		PF00754
(F5_F8_type_C)
PF01344
(Kelch_1)
PF09118
(DUF1929) 		5 ILE A 562
ILE A 560
ARG A 636
ILE A 546
VAL A 554
 None
 1.16A 2nniA-2eidA:
undetectable		 2nniA-2eidA:
19.39
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.
2ewm (S)-1-PHENYLETHANOL
DEHYDROGENASE

(Azoarcus) 		PF13561
(adh_short_C2) 		5 ILE A  19
ILE A  23
ILE A  36
ARG A 135
ALA A  10
 NAD  A 257 (-3.9A)
None
None
None
None
 1.03A 2nniA-2ewmA:
undetectable		 2nniA-2ewmA:
20.08
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.
2fea 2-HYDROXY-3-KETO-5-M
ETHYLTHIOPENTENYL-1-
PHOSPHATE
PHOSPHATASE

(Bacillus
subtilis) 		PF12710
(HAD) 		4 ILE A  23
ILE A  22
ILE A  67
ALA A 124
 EDO  A1306 ( 4.9A)
EDO  A1306 ( 3.8A)
None
None
 0.69A 2nniA-2feaA:
undetectable		 2nniA-2feaA:
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.
2ha9 UPF0210 PROTEIN
SP0239

(Streptococcus
pneumoniae) 		PF05167
(DUF711) 		4 ILE A  44
ILE A  48
ARG A  74
VAL A  75
 None
 0.70A 2nniA-2ha9A:
undetectable		 2nniA-2ha9A:
22.24
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.
2iuk SEED LIPOXYGENASE

(Glycine max) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ILE A 730
ILE A 579
ASN A 379
VAL A 378
 None
 0.54A 2nniA-2iukA:
undetectable		 2nniA-2iukA:
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.
2jgd 2-OXOGLUTARATE
DEHYDROGENASE E1
COMPONENT

(Escherichia
coli) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF16870
(OxoGdeHyase_C) 		4 ILE A 354
ILE A 388
ASN A 269
VAL A 270
 None
 0.71A 2nniA-2jgdA:
undetectable		 2nniA-2jgdA:
19.50
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.
2jgz CELL DIVISION
PROTEIN KINASE 2
G2/MITOTIC-SPECIFIC
CYCLIN-B1

(Homo sapiens) 		PF00069
(Pkinase)
PF00134
(Cyclin_N)
PF02984
(Cyclin_C) 		4 ILE A  49
ILE A  52
ILE B 254
VAL A  69
 None
 0.68A 2nniA-2jgzA:
undetectable		 2nniA-2jgzA:
20.04
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2nnj CYTOCHROME P450 2C8

(Homo sapiens) 		PF00067
(p450) 		8 ILE A 102
ILE A 106
ILE A 113
ARG A 200
ILE A 213
ASN A 236
VAL A 237
ALA A 292
 PLM  A 502 ( 4.1A)
PLM  A 502 (-4.6A)
225  A 501 ( 4.3A)
None
None
None
None
None
 0.66A 2nniA-2nnjA:
63.1		 2nniA-2nnjA:
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.
2oh1 ACETYLTRANSFERASE,
GNAT FAMILY

(Listeria
monocytogenes) 		no annotation 5 ILE A   6
ILE A 124
ARG A  16
ILE A 117
VAL A  15
 None
 1.24A 2nniA-2oh1A:
undetectable		 2nniA-2oh1A:
16.35
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.
2ov1 PERIPLASMIC BINDING
PROTEIN COMPONENT OF
AN ABC TYPE ZINC
UPTAKE TRANSPORTER

(Synechocystis
sp. PCC 6803) 		PF01297
(ZnuA) 		4 ILE A 301
ILE A 305
ILE A 260
ASN A 282
 None
 0.53A 2nniA-2ov1A:
undetectable		 2nniA-2ov1A:
21.82
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.
2pig PUTATIVE TRANSFERASE

(Salmonella
enterica) 		no annotation 4 ILE A 109
ASN A 161
VAL A 160
ALA A 130
 None
 0.65A 2nniA-2pigA:
undetectable		 2nniA-2pigA:
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.
2qgy ENOLASE FROM THE
ENVIRONMENTAL GENOME
SHOTGUN SEQUENCING
OF THE SARGASSO SEA

(-) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ILE A 283
ILE A 284
ILE A  80
ILE A 274
 None
 0.70A 2nniA-2qgyA:
undetectable		 2nniA-2qgyA:
24.14
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.
2qjj MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Novosphingobium
aromaticivorans) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 ILE A 282
ILE A 279
ILE A 298
ASN A 276
ALA A 246
 None
 1.27A 2nniA-2qjjA:
undetectable		 2nniA-2qjjA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r9z GLUTATHIONE AMIDE
REDUCTASE

(Marichromatium
gracile) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		4 ILE A 134
ILE A 303
ILE A 122
VAL A  19
 None
 0.69A 2nniA-2r9zA:
undetectable		 2nniA-2r9zA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vfk AKAP18 DELTA

(Homo sapiens) 		PF10469
(AKAP7_NLS) 		4 ILE A  98
ILE A 133
ILE A 265
ALA A 201
 None
 0.72A 2nniA-2vfkA:
undetectable		 2nniA-2vfkA:
18.81
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.
2w7r MICROTUBULE-ASSOCIAT
ED
SERINE/THREONINE-PRO
TEIN KINASE 4

(Homo sapiens) 		PF00595
(PDZ) 		4 ILE A  86
ILE A   7
ILE A  60
ASN A  13
 None
 0.60A 2nniA-2w7rA:
undetectable		 2nniA-2w7rA:
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.
2wd6 AGGLUTININ RECEPTOR

(Streptococcus
gordonii) 		PF06696
(Strep_SA_rep)
PF08363
(GbpC) 		5 ILE A 726
ILE A 674
ILE A 731
ASN A 750
ALA A 753
 None
 1.35A 2nniA-2wd6A:
undetectable		 2nniA-2wd6A:
19.39
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.
2wj3 1-H-3-HYDROXY-4-OXOQ
UINALDINE
2,4-DIOXYGENASE

(Paenarthrobacter
nitroguajacolicus) 		PF00561
(Abhydrolase_1) 		5 ILE A 124
ILE A 230
ILE A 215
ASN A 199
ALA A 131
 None
 1.15A 2nniA-2wj3A:
undetectable		 2nniA-2wj3A:
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		4 ILE A 167
ARG A 118
VAL A 119
ALA A 113
 None
COA  A 760 (-4.0A)
None
None
 0.69A 2nniA-2x58A:
undetectable		 2nniA-2x58A:
21.22
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.
2yn7 OUTER SURFACE
PROTEIN

(Borreliella
burgdorferi) 		PF05714
(Borrelia_lipo_1) 		4 ILE A 323
ILE A 319
ASN A 352
ALA A 406
 None
 0.71A 2nniA-2yn7A:
2.1		 2nniA-2yn7A:
18.35
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.
2ypd PROBABLE JMJC
DOMAIN-CONTAINING
HISTONE
DEMETHYLATION PROT
EIN 2C

(Homo sapiens) 		PF02373
(JmjC) 		5 ILE A2424
ILE A2402
ILE A2409
ARG A2446
VAL A2445
 None
None
None
EMT  A3498 ( 3.2A)
None
 1.48A 2nniA-2ypdA:
undetectable		 2nniA-2ypdA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ztu D(-)-3-HYDROXYBUTYRA
TE DEHYDROGENASE

(Pseudomonas
fragi) 		PF13561
(adh_short_C2) 		4 ILE A  16
ILE A  20
ARG A 136
ALA A   7
 NAD  A 300 (-3.8A)
None
None
None
 0.66A 2nniA-2ztuA:
undetectable		 2nniA-2ztuA:
19.50
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.
3a0r SENSOR PROTEIN

(Thermotoga
maritima) 		PF00512
(HisKA)
PF00989
(PAS)
PF02518
(HATPase_c) 		4 ILE A 428
ILE A 496
ARG A 458
ALA A 472
 None
 0.70A 2nniA-3a0rA:
undetectable		 2nniA-3a0rA:
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.
3b8i PA4872 OXALOACETATE
DECARBOXYLASE

(Pseudomonas
aeruginosa) 		PF13714
(PEP_mutase) 		4 ILE A 156
ILE A  86
ILE A 205
ALA A  89
 None
 0.69A 2nniA-3b8iA:
undetectable		 2nniA-3b8iA:
20.95
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.
3b90 ENDO-PECTATE LYASE

(Dickeya
chrysanthemi) 		PF03211
(Pectate_lyase) 		5 ILE A 139
ILE A 155
ILE A 166
VAL A 132
ALA A 159
 None
ZN  A 712 ( 4.8A)
None
None
None
 1.42A 2nniA-3b90A:
undetectable		 2nniA-3b90A:
20.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3be5 PUTATIVE IRON
COMPOUND-BINDING
PROTEIN OF ABC
TRANSPORTER FAMILY

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		5 ILE A 306
ILE A 302
ARG A 204
ILE A 181
ALA A 287
 None
 1.33A 2nniA-3be5A:
undetectable		 2nniA-3be5A:
19.46
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.
3cqo FBP32

(Morone
saxatilis) 		PF00754
(F5_F8_type_C) 		5 ILE A 114
ARG A  54
ILE A 103
VAL A 125
ALA A   7
 None
 1.16A 2nniA-3cqoA:
undetectable		 2nniA-3cqoA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3csw PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Thermotoga
maritima) 		PF01063
(Aminotran_4) 		5 ILE A 154
ARG A 193
ILE A 147
ASN A 169
VAL A 170
 None
None
None
PLP  A 300 (-3.7A)
None
 1.38A 2nniA-3cswA:
undetectable		 2nniA-3cswA:
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.
3ftb HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Clostridium
acetobutylicum) 		PF00155
(Aminotran_1_2) 		4 ILE A  95
ILE A  91
ILE A 101
ALA A 185
 None
 0.54A 2nniA-3ftbA:
undetectable		 2nniA-3ftbA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g6s PUTATIVE
ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE
FAMILY PROTEIN

(Bacteroides
vulgatus) 		PF03372
(Exo_endo_phos) 		4 ILE A 154
ASN A 136
VAL A 135
ALA A 167
 None
 0.70A 2nniA-3g6sA:
undetectable		 2nniA-3g6sA:
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.
3g85 TRANSCRIPTIONAL
REGULATOR (LACI
FAMILY)

(Clostridium
acetobutylicum) 		PF13377
(Peripla_BP_3) 		4 ILE A 297
ILE A  76
ASN A 162
VAL A 163
 None
 0.68A 2nniA-3g85A:
undetectable		 2nniA-3g85A:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ghf SEPTUM
SITE-DETERMINING
PROTEIN MINC

(Salmonella
enterica) 		PF05209
(MinC_N) 		4 ILE A  50
ILE A  75
ASN A  60
VAL A  59
 None
None
CIT  A 201 (-4.7A)
CIT  A 201 (-3.8A)
 0.55A 2nniA-3ghfA:
undetectable		 2nniA-3ghfA:
15.42
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.
3gty 30S RIBOSOMAL
PROTEIN S7

(Thermotoga
maritima) 		PF00177
(Ribosomal_S7) 		4 ILE S 103
ILE S  49
ASN S  67
VAL S  68
 None
 0.67A 2nniA-3gtyS:
undetectable		 2nniA-3gtyS:
15.13
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.
3gve YFKN PROTEIN

(Bacillus
subtilis) 		PF00149
(Metallophos) 		4 ILE A 208
ILE A 239
ASN A 128
VAL A 127
 None
 0.69A 2nniA-3gveA:
undetectable		 2nniA-3gveA:
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.
3hm7 ALLANTOINASE

(Bacillus
halodurans) 		PF01979
(Amidohydro_1) 		5 ILE A   7
ILE A  26
ILE A 382
ILE A  40
ALA A 386
 None
 1.33A 2nniA-3hm7A:
undetectable		 2nniA-3hm7A:
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.
3hpx 2-ISOPROPYLMALATE
SYNTHASE

(Mycobacterium
tuberculosis) 		PF00682
(HMGL-like) 		5 ILE A 308
ILE A 267
ASN A 321
VAL A 322
ALA A 296
 None
None
NI  A 701 (-2.7A)
None
None
 1.20A 2nniA-3hpxA:
undetectable		 2nniA-3hpxA:
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.
3hsi PHOSPHATIDYLSERINE
SYNTHASE

(Haemophilus
influenzae) 		PF13091
(PLDc_2) 		4 ILE A  66
ILE A  70
ILE A 156
VAL A  82
 None
 0.71A 2nniA-3hsiA:
undetectable		 2nniA-3hsiA:
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.
3htx HEN1

(Arabidopsis
thaliana) 		PF13847
(Methyltransf_31) 		4 ILE A 611
ILE A 561
VAL A 628
ALA A 637
 None
 0.66A 2nniA-3htxA:
undetectable		 2nniA-3htxA:
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.
3hyv SULFIDE-QUINONE
REDUCTASE

(Aquifex
aeolicus) 		PF07992
(Pyr_redox_2) 		4 ILE A 103
ILE A 289
ILE A 328
ILE A   8
 None
None
None
FAD  A 441 (-4.9A)
 0.67A 2nniA-3hyvA:
undetectable		 2nniA-3hyvA:
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.
3icc PUTATIVE
3-OXOACYL-(ACYL
CARRIER PROTEIN)
REDUCTASE

(Bacillus
anthracis) 		PF13561
(adh_short_C2) 		4 ILE A  16
ILE A  20
ARG A 139
ALA A   7
 ILE  A  16 (-0.7A)
ILE  A  20 ( 0.7A)
ARG  A 139 ( 0.6A)
ALA  A   7 ( 0.0A)
 0.64A 2nniA-3iccA:
undetectable		 2nniA-3iccA:
18.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ife PEPTIDASE T

(Bacillus
anthracis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ILE A 400
ILE A 337
ARG A 169
ILE A 163
 None
 0.57A 2nniA-3ifeA:
undetectable		 2nniA-3ifeA:
22.24
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.
3ixq RIBOSE-5-PHOSPHATE
ISOMERASE A

(Methanocaldococcus
jannaschii) 		PF06026
(Rib_5-P_isom_A) 		4 ILE A 135
ARG A 149
VAL A 147
ALA A 158
 None
 0.71A 2nniA-3ixqA:
undetectable		 2nniA-3ixqA:
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.
3jro FUSION PROTEIN OF
PROTEIN TRANSPORT
PROTEIN SEC13 AND
NUCLEOPORIN NUP145
NUCLEOPORIN NUP84

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF04121
(Nup84_Nup100)
PF12110
(Nup96) 		5 ILE C 208
ILE C 211
ILE A1333
ARG C 244
VAL C 247
 None
 1.31A 2nniA-3jroC:
undetectable		 2nniA-3jroC:
21.91
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.
3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN

(Klebsiella
pneumoniae) 		PF00149
(Metallophos) 		4 ILE A 238
ILE A  11
ILE A 194
ALA A 301
 None
 0.69A 2nniA-3jyfA:
undetectable		 2nniA-3jyfA:
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.
3kbe SUPEROXIDE DISMUTASE
[CU-ZN]

(Caenorhabditis
elegans) 		PF00080
(Sod_Cu) 		4 ILE A  96
ILE A  30
ARG A 114
ILE A  34
 None
 0.66A 2nniA-3kbeA:
undetectable		 2nniA-3kbeA:
17.35
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.
3klj NAD(FAD)-DEPENDENT
DEHYDROGENASE,
NIRB-FAMILY
(N-TERMINAL DOMAIN)

(Clostridium
acetobutylicum) 		PF07992
(Pyr_redox_2) 		5 ILE A 254
ILE A 104
ILE A   8
VAL A 260
ALA A  14
 None
None
None
None
FAD  A 401 (-3.1A)
 1.45A 2nniA-3kljA:
undetectable		 2nniA-3kljA:
21.24
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.
3l2n PEPTIDASE M14,
CARBOXYPEPTIDASE A

(Shewanella
denitrificans) 		PF00246
(Peptidase_M14) 		5 ILE A  12
ILE A   3
ILE A 104
ILE A  55
ALA A  45
 None
 1.14A 2nniA-3l2nA:
undetectable		 2nniA-3l2nA:
22.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m1m ORF904

(Sulfolobus
islandicus) 		PF09250
(Prim-Pol)
PF13010
(pRN1_helical) 		4 ILE A 109
ILE A 170
ILE A 153
VAL A 179
 None
 0.71A 2nniA-3m1mA:
undetectable		 2nniA-3m1mA:
19.50
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.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 ILE B  85
ILE B  93
ASN B 174
VAL B 160
 None
 0.67A 2nniA-3m2rB:
undetectable		 2nniA-3m2rB:
22.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m49 TRANSKETOLASE

(Bacillus
anthracis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ILE A 226
ILE A  10
ARG A 246
VAL A 245
ALA A  35
 None
None
PEG  A 717 (-4.8A)
None
None
 1.19A 2nniA-3m49A:
undetectable		 2nniA-3m49A:
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.
3mmz PUTATIVE HAD FAMILY
HYDROLASE

(Streptomyces
avermitilis) 		PF08282
(Hydrolase_3) 		4 ILE A  48
ILE A 151
ILE A 158
ILE A  78
 None
 0.71A 2nniA-3mmzA:
undetectable		 2nniA-3mmzA:
17.40
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.
3mn3 CARBON
CATABOLITE-DEREPRESS
ING PROTEIN KINASE

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 ILE A 162
ILE A 161
ILE A 115
ILE A 297
 None
 0.62A 2nniA-3mn3A:
undetectable		 2nniA-3mn3A:
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.
3o4z TELOMERE LENGTH
REGULATION PROTEIN
TEL2

(Saccharomyces
cerevisiae) 		PF10193
(Telomere_reg-2) 		4 ILE A 258
ILE A 228
ILE A 267
ALA A 183
 None
 0.71A 2nniA-3o4zA:
undetectable		 2nniA-3o4zA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		4 ILE A 290
ILE A 289
ILE A 232
ALA A 205
 HEA  A   2 ( 4.5A)
None
None
None
 0.70A 2nniA-3omnA:
0.5		 2nniA-3omnA:
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.
3pmo UDP-3-O-[3-HYDROXYMY
RISTOYL] GLUCOSAMINE
N-ACYLTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00132
(Hexapep)
PF04613
(LpxD) 		4 ILE A 280
ILE A 282
ILE A 246
VAL A 286
 None
 0.68A 2nniA-3pmoA:
undetectable		 2nniA-3pmoA:
22.27
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.
3sbg PRE-MRNA-SPLICING
FACTOR 8

(Saccharomyces
cerevisiae) 		PF08084
(PROCT)
PF12134
(PRP8_domainIV) 		4 ILE A2293
ILE A2259
ILE A2289
VAL A2224
 None
 0.66A 2nniA-3sbgA:
undetectable		 2nniA-3sbgA:
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.
3sgg HYPOTHETICAL
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF14323
(GxGYxYP_C)
PF16216
(GxGYxYP_N) 		4 ILE A 426
ILE A 431
ASN A 277
VAL A 276
 None
 0.71A 2nniA-3sggA:
undetectable		 2nniA-3sggA:
21.18
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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		5 ILE A 215
ILE A 320
ILE A 200
ILE A 268
VAL A 361
 None
 0.88A 2nniA-3sl1A:
undetectable		 2nniA-3sl1A:
22.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sr3 MICROCIN IMMUNITY
PROTEIN MCCF

(Bacillus
anthracis) 		PF02016
(Peptidase_S66) 		5 ILE A 167
ILE A 327
ARG A 205
ILE A 308
VAL A 314
 None
 1.39A 2nniA-3sr3A:
undetectable		 2nniA-3sr3A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t4x OXIDOREDUCTASE,
SHORT CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Bacillus
anthracis) 		PF00106
(adh_short) 		5 ILE A  19
ILE A  23
ILE A  36
ARG A 135
ALA A  10
 None
 1.43A 2nniA-3t4xA:
undetectable		 2nniA-3t4xA:
21.00