SIMILAR PATTERNS OF AMINO ACIDS FOR 3N8X_A_NIMA701_1

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.
1b0k PROTEIN (ACONITASE)

(Sus scrofa) 		PF00330
(Aconitase)
PF00694
(Aconitase_C) 		5 HIS A 668
TYR A 638
ILE A 570
GLY A 593
ALA A 594
 None
 1.21A 3n8xA-1b0kA:
0.0		 3n8xA-1b0kA:
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.
1cs1 PROTEIN
(CYSTATHIONINE
GAMMA-SYNTHASE)

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		5 LEU A  72
GLY A  76
ALA A  79
SER A  78
LEU A  82
 None
LLP  A 198 ( 3.2A)
None
None
None
 1.22A 3n8xA-1cs1A:
0.0		 3n8xA-1cs1A:
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.
1dq3 ENDONUCLEASE

(Pyrococcus
furiosus) 		PF09061
(Stirrup)
PF09062
(Endonuc_subdom)
PF14528
(LAGLIDADG_3)
PF14890
(Intein_splicing) 		6 HIS A  99
LEU A  94
PHE A 431
ILE A   2
GLY A   4
ALA A   6
 None
 1.49A 3n8xA-1dq3A:
0.0		 3n8xA-1dq3A:
20.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		11 HIS A  90
ARG A 120
LEU A 352
TYR A 355
TYR A 385
TRP A 387
PHE A 518
ILE A 523
GLY A 526
ALA A 527
LEU A 531
 None
SCL  A 700 (-3.9A)
SCL  A 700 ( 4.8A)
SCL  A 700 (-4.3A)
None
None
None
SCL  A 700 (-3.4A)
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
OAS  A 530 (-4.1A)
 0.45A 3n8xA-1ebvA:
61.6		 3n8xA-1ebvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		7 HIS A 513
LEU A 352
TYR A 385
TRP A 387
ILE A 523
GLY A 526
ALA A 527
 None
SCL  A 700 ( 4.8A)
None
None
SCL  A 700 (-3.4A)
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
 1.27A 3n8xA-1ebvA:
61.6		 3n8xA-1ebvA:
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.
1iyn CHLOROPLASTIC
ASCORBATE PEROXIDASE

(Nicotiana
tabacum) 		PF00141
(peroxidase) 		5 HIS A 255
ILE A 101
GLY A 105
ALA A 104
LEU A 200
 None
 1.25A 3n8xA-1iynA:
0.0		 3n8xA-1iynA:
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.
1j1w ISOCITRATE
DEHYDROGENASE

(Azotobacter
vinelandii) 		PF03971
(IDH) 		5 ARG A 145
TRP A 601
GLY A 581
ALA A 582
SER A 562
 None
NAP  A1000 (-3.2A)
None
None
None
 1.26A 3n8xA-1j1wA:
0.0		 3n8xA-1j1wA:
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.
1orf GRANZYME A

(Homo sapiens) 		PF00089
(Trypsin) 		5 LEU A 155
TYR A  29
GLY A  44
ALA A  43
SER A 197
 None
 1.20A 3n8xA-1orfA:
0.0		 3n8xA-1orfA:
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.
1oxx ABC TRANSPORTER, ATP
BINDING PROTEIN

(Sulfolobus
solfataricus) 		PF00005
(ABC_tran) 		5 ARG K 210
LEU K 195
PHE K  47
ILE K  26
GLY K 212
 IOD  K1917 (-4.5A)
None
None
None
None
 1.24A 3n8xA-1oxxK:
undetectable		 3n8xA-1oxxK:
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.
1r9l GLYCINE
BETAINE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF04069
(OpuAC) 		5 TYR A  96
ILE A 146
GLY A 144
ALA A 145
LEU A 213
 None
 1.11A 3n8xA-1r9lA:
undetectable		 3n8xA-1r9lA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x9s DNA POLYMERASE

(Escherichia
virus T7) 		PF00476
(DNA_pol_A) 		5 LEU A 246
GLY A 397
ALA A 400
SER A 399
LEU A 407
 None
 1.12A 3n8xA-1x9sA:
1.1		 3n8xA-1x9sA:
20.81
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.
1yfm FUMARASE

(Saccharomyces
cerevisiae) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 LEU A 185
ILE A 237
ALA A 241
SER A 243
LEU A 244
 None
 1.07A 3n8xA-1yfmA:
undetectable		 3n8xA-1yfmA:
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.
2bng MB2760

(Mycobacterium
tuberculosis) 		PF07858
(LEH) 		5 LEU A  28
TYR A  46
TRP A 120
PHE A  24
ALA A  61
 None
 0.99A 3n8xA-2bngA:
undetectable		 3n8xA-2bngA:
15.38
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.
2c81 GLUTAMINE-2-DEOXY-SC
YLLO-INOSOSE
AMINOTRANSFERASE

(Bacillus
circulans) 		PF01041
(DegT_DnrJ_EryC1) 		5 LEU A 250
ILE A 201
GLY A  66
ALA A  69
LEU A  72
 None
None
PMP  A1416 (-3.7A)
None
None
 1.25A 3n8xA-2c81A:
undetectable		 3n8xA-2c81A:
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.
2dph FORMALDEHYDE
DISMUTASE

(Pseudomonas
putida) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 236
GLY A 280
ALA A 281
SER A 284
LEU A 285
 NAD  A1403 (-4.7A)
NAD  A1403 ( 4.4A)
NAD  A1403 ( 4.0A)
None
None
 0.96A 3n8xA-2dphA:
undetectable		 3n8xA-2dphA:
21.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fuk XC6422 PROTEIN

(Xanthomonas
campestris) 		PF12146
(Hydrolase_4) 		5 ILE A 140
GLY A 121
ALA A 122
SER A 125
LEU A 126
 None
 1.01A 3n8xA-2fukA:
undetectable		 3n8xA-2fukA:
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.
2fxt IMPORT INNER
MEMBRANE TRANSLOCASE
SUBUNIT TIM44

(Saccharomyces
cerevisiae) 		PF04280
(Tim44) 		5 LEU A 302
PHE A 422
GLY A 425
SER A 396
LEU A 394
 None
 1.23A 3n8xA-2fxtA:
undetectable		 3n8xA-2fxtA:
16.46
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.
2gk9 PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE II,
GAMMA

(Homo sapiens) 		PF01504
(PIP5K) 		5 LEU A 126
TYR A 189
GLY A  54
ALA A  56
SER A  58
 None
 1.00A 3n8xA-2gk9A:
undetectable		 3n8xA-2gk9A:
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.
2hpa PROTEIN (ACID
PHOSPHATASE)

(Homo sapiens) 		PF00328
(His_Phos_2) 		5 LEU A1203
PHE A1155
ILE A1156
SER A1163
LEU A1165
 None
 1.22A 3n8xA-2hpaA:
undetectable		 3n8xA-2hpaA:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hun 336AA LONG
HYPOTHETICAL
DTDP-GLUCOSE
4,6-DEHYDRATASE

(Pyrococcus
horikoshii) 		PF16363
(GDP_Man_Dehyd) 		5 ARG A 144
LEU A 283
ILE A 134
GLY A 132
LEU A 145
 None
 1.17A 3n8xA-2hunA:
undetectable		 3n8xA-2hunA:
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.
2j66 BTRK

(Bacillus
circulans) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 HIS A  80
TYR A  22
ILE A  54
ALA A  57
LEU A  46
 None
 1.21A 3n8xA-2j66A:
undetectable		 3n8xA-2j66A:
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.
2p9b POSSIBLE PROLIDASE

(Bifidobacterium
longum) 		PF01979
(Amidohydro_1) 		5 LEU A 403
PHE A  14
GLY A  42
ALA A 426
SER A 400
 None
 1.22A 3n8xA-2p9bA:
undetectable		 3n8xA-2p9bA:
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.
2pbl PUTATIVE
ESTERASE/LIPASE/THIO
ESTERASE

(Ruegeria sp.
TM1040) 		PF07859
(Abhydrolase_3) 		5 TRP A  81
GLY A 138
ALA A 137
SER A 136
LEU A 168
 None
None
None
UNL  A 263 (-3.7A)
None
 1.11A 3n8xA-2pblA:
undetectable		 3n8xA-2pblA:
19.85
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.
2pg8 DPGC

(Streptomyces
toyocaensis) 		PF00378
(ECH_1) 		5 ARG A 332
ILE A 259
GLY A 327
ALA A 328
LEU A 331
 None
None
YE1  A 997 (-3.4A)
None
None
 1.24A 3n8xA-2pg8A:
undetectable		 3n8xA-2pg8A:
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.
2w21 GLUTAMATE 5-KINASE

(Escherichia
coli) 		PF00696
(AA_kinase) 		5 TYR A  62
ILE A  53
GLY A  56
ALA A  55
LEU A  23
 None
SO4  A1262 (-3.6A)
None
None
None
 1.17A 3n8xA-2w21A:
undetectable		 3n8xA-2w21A:
18.99
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.
2wyh ALPHA-MANNOSIDASE

(Streptococcus
pyogenes) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 HIS A 349
TYR A 574
ILE A 354
GLY A 356
SER A 358
 None
 1.19A 3n8xA-2wyhA:
undetectable		 3n8xA-2wyhA:
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.
2wyo GLUTATHIONE
SYNTHETASE

(Trypanosoma
brucei) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		5 LEU A 115
TYR A 357
PHE A 521
ILE A 503
GLY A 501
 None
 1.17A 3n8xA-2wyoA:
undetectable		 3n8xA-2wyoA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xd3 MALTOSE/MALTODEXTRIN
-BINDING PROTEIN

(Streptococcus
pneumoniae) 		PF13416
(SBP_bac_8) 		5 LEU A 202
GLY A 207
ALA A 208
SER A 228
LEU A 223
 None
 1.20A 3n8xA-2xd3A:
undetectable		 3n8xA-2xd3A:
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.
3bga BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 HIS A 919
LEU A 630
TRP A 581
ALA A 552
LEU A 550
 None
 1.22A 3n8xA-3bgaA:
undetectable		 3n8xA-3bgaA:
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.
3cvg PUTATIVE METAL
BINDING PROTEIN

(Coccidioides
immitis) 		PF12849
(PBP_like_2) 		5 HIS A 256
GLY A  46
ALA A  47
SER A  50
LEU A  52
 None
 1.26A 3n8xA-3cvgA:
undetectable		 3n8xA-3cvgA:
18.97
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.
3dec BETA-GALACTOSIDASE

(Bacteroides
thetaiotaomicron) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF02929
(Bgal_small_N)
PF16353
(DUF4981) 		5 HIS A 895
LEU A 606
TRP A 557
ALA A 528
LEU A 526
 None
 1.24A 3n8xA-3decA:
undetectable		 3n8xA-3decA:
19.60
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.
3e60 3-OXOACYL-[ACYL-CARR
IER-PROTEIN ]
SYNTHASE II

(Bartonella
henselae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ARG A  25
GLY A  17
ALA A  16
SER A  13
LEU A  15
 None
 1.12A 3n8xA-3e60A:
undetectable		 3n8xA-3e60A:
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.
3eh7 4-HYDROXYBUTYRATE
COA-TRANSFERASE

(Porphyromonas
gingivalis) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 LEU A 215
ILE A 220
GLY A 200
ALA A 223
LEU A 226
 None
 1.24A 3n8xA-3eh7A:
undetectable		 3n8xA-3eh7A:
18.51
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.
3f4w PUTATIVE HEXULOSE 6
PHOSPHATE SYNTHASE

(Salmonella
enterica) 		PF00215
(OMPdecase) 		5 LEU A   3
ILE A 185
GLY A 187
ALA A   6
LEU A   7
 None
None
MLI  A 300 (-3.3A)
MLI  A 300 ( 4.2A)
None
 1.24A 3n8xA-3f4wA:
undetectable		 3n8xA-3f4wA:
17.45
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.
3f5d PROTEIN YDEA

(Bacillus
subtilis) 		PF01965
(DJ-1_PfpI) 		5 LEU A   9
ILE A  70
GLY A 101
ALA A 102
LEU A 106
 None
 1.26A 3n8xA-3f5dA:
undetectable		 3n8xA-3f5dA:
15.16
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.
3f5d PROTEIN YDEA

(Bacillus
subtilis) 		PF01965
(DJ-1_PfpI) 		5 LEU A  11
ILE A  70
GLY A 101
ALA A 102
LEU A 106
 None
 1.24A 3n8xA-3f5dA:
undetectable		 3n8xA-3f5dA:
15.16
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.
3fb2 SPECTRIN ALPHA
CHAIN, BRAIN
SPECTRIN

(Homo sapiens) 		PF00435
(Spectrin) 		5 HIS A1451
LEU A1367
GLY A1373
ALA A1374
LEU A1378
 None
 1.14A 3n8xA-3fb2A:
undetectable		 3n8xA-3fb2A:
18.13
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.
3fs5 UNCHARACTERIZED
PROTEIN YGR203W

(Saccharomyces
cerevisiae) 		PF00581
(Rhodanese) 		5 HIS A  53
GLY A  97
ALA A 100
SER A  99
LEU A 103
 None
CME  A  90 ( 3.8A)
None
None
None
 1.26A 3n8xA-3fs5A:
undetectable		 3n8xA-3fs5A:
14.29
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.
3gi8 UNCHARACTERIZED
PROTEIN MJ0609

(Methanocaldococcus
jannaschii) 		PF13520
(AA_permease_2) 		5 LEU C 162
ILE C 276
GLY C 279
ALA C 280
SER C 283
 None
 1.04A 3n8xA-3gi8C:
undetectable		 3n8xA-3gi8C:
22.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hz6 XYLULOKINASE

(Chromobacterium
violaceum) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ILE A 307
GLY A 384
ALA A 385
SER A 388
LEU A 389
 None
 1.17A 3n8xA-3hz6A:
undetectable		 3n8xA-3hz6A:
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.
3i5g MYOSIN HEAVY CHAIN
ISOFORM A

(Doryteuthis
pealeii) 		PF00063
(Myosin_head)
PF00612
(IQ)
PF02736
(Myosin_N) 		5 LEU A 688
ILE A 673
GLY A 176
ALA A 180
SER A 178
 None
 1.22A 3n8xA-3i5gA:
undetectable		 3n8xA-3i5gA:
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.
3k2i ACYL-COENZYME A
THIOESTERASE 4

(Homo sapiens) 		PF04775
(Bile_Hydr_Trans)
PF08840
(BAAT_C) 		5 LEU A 229
ILE A 231
GLY A 234
ALA A 235
LEU A 239
 None
 1.14A 3n8xA-3k2iA:
undetectable		 3n8xA-3k2iA:
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.
3ndy ENDOGLUCANASE D

(Clostridium
cellulovorans) 		PF00553
(CBM_2) 		5 TYR E 387
ILE E 465
GLY E 396
ALA E 397
SER E 392
 None
 1.15A 3n8xA-3ndyE:
undetectable		 3n8xA-3ndyE:
9.83
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.
3oa0 LIPOPOLYSACCHARIDE
BIOSYNTHESIS PROTEIN
WBPB

(Thermus
thermophilus) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 HIS A 264
LEU A  18
TYR A 268
GLY A   8
SER A  31
 NAD  A 311 (-4.6A)
None
None
NAD  A 311 (-3.4A)
None
 1.25A 3n8xA-3oa0A:
0.1		 3n8xA-3oa0A:
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.
3qth UNCHARACTERIZED
PROTEIN

(Colwellia
psychrerythraea) 		PF09351
(DUF1993) 		5 LEU A  19
PHE A 138
ILE A 142
ALA A  55
LEU A  87
 None
 1.17A 3n8xA-3qthA:
undetectable		 3n8xA-3qthA:
16.90
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.
3r5g CYAB

(Pseudomonas
aeruginosa) 		PF00211
(Guanylate_cyc) 		5 LEU A 228
TYR A 336
GLY A 291
ALA A 292
LEU A 381
 None
 1.10A 3n8xA-3r5gA:
undetectable		 3n8xA-3r5gA:
17.72
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.
3tw8 DENN
DOMAIN-CONTAINING
PROTEIN 1B

(Homo sapiens) 		PF02141
(DENN)
PF03455
(dDENN)
PF03456
(uDENN) 		5 LEU A 186
ILE A 210
GLY A 212
ALA A 214
LEU A 217
 None
 1.09A 3n8xA-3tw8A:
undetectable		 3n8xA-3tw8A:
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.
3vil BETA-GLUCOSIDASE

(Neotermes
koshunensis) 		PF00232
(Glyco_hydro_1) 		5 LEU A 483
TYR A 463
TYR A 441
GLY A  38
ALA A  39
 None
 1.26A 3n8xA-3vilA:
undetectable		 3n8xA-3vilA:
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.
3vwo PEPTIDOGLYCAN
HYDROLASE FLGJ

(Sphingomonas
sp. A1) 		PF01832
(Glucosaminidase) 		5 HIS A 176
TYR A 281
PHE A 272
ALA A 182
LEU A 204
 None
EPE  A 401 (-3.4A)
None
None
None
 1.24A 3n8xA-3vwoA:
undetectable		 3n8xA-3vwoA:
11.93
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.
3wdb PROBABLE
ATP-DEPENDENT CLP
PROTEASE ATP-BINDING
SUBUNIT

(Mycobacterium
tuberculosis) 		PF02861
(Clp_N) 		5 LEU A 110
ILE A 108
ALA A  45
SER A  48
LEU A  49
 None
 1.24A 3n8xA-3wdbA:
undetectable		 3n8xA-3wdbA:
14.84
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.
3wnp CYCLOISOMALTOOLIGOSA
CCHARIDE
GLUCANOTRANSFERASE

(Bacillus
circulans) 		PF13199
(Glyco_hydro_66)
PF16990
(CBM_35) 		5 LEU A 106
PHE A 108
ILE A 124
ALA A 126
LEU A 129
 None
 1.18A 3n8xA-3wnpA:
undetectable		 3n8xA-3wnpA:
21.19
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.
4asi ACETYL-COA
CARBOXYLASE 1

(Homo sapiens) 		PF01039
(Carboxyl_trans) 		5 LEU A1737
GLY A1842
ALA A1841
SER A1844
LEU A1868
 None
 1.18A 3n8xA-4asiA:
undetectable		 3n8xA-4asiA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c13 UDP-N-ACETYLMURAMOYL
-L-ALANYL-D-GLUTAMAT
E--L-LYSINE LIGASE

(Staphylococcus
aureus) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 TYR A 247
GLY A 216
ALA A 218
SER A 220
LEU A 221
 None
KCX  A 219 ( 4.5A)
KCX  A 219 ( 3.1A)
KCX  A 219 ( 4.3A)
None
 1.04A 3n8xA-4c13A:
undetectable		 3n8xA-4c13A:
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.
4d65 PORIN 2

(Providencia
stuartii) 		PF00267
(Porin_1) 		5 ARG A 197
PHE A 242
ILE A 250
GLY A 207
ALA A 208
 None
 1.22A 3n8xA-4d65A:
undetectable		 3n8xA-4d65A:
18.60
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.
4df1 OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Pyrobaculum
neutrophilum) 		PF00215
(OMPdecase) 		5 LEU A   7
ILE A 176
GLY A 178
ALA A  10
LEU A  11
 None
BMP  A 301 ( 4.6A)
BMP  A 301 (-3.4A)
BMP  A 301 ( 3.9A)
None
 1.18A 3n8xA-4df1A:
undetectable		 3n8xA-4df1A:
15.76
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.
4dn7 ABC TRANSPORTER,
ATP-BINDING PROTEIN

(Methanosarcina
mazei) 		PF01458
(UPF0051) 		5 ILE A 296
GLY A 298
ALA A 266
SER A 270
LEU A 272
 None
 1.06A 3n8xA-4dn7A:
undetectable		 3n8xA-4dn7A:
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.
4eel BETA-PHOSPHOGLUCOMUT
ASE-RELATED PROTEIN

(Deinococcus
radiodurans) 		PF13419
(HAD_2) 		5 LEU A 189
ILE A  90
GLY A  92
ALA A  93
LEU A  97
 None
 0.81A 3n8xA-4eelA:
undetectable		 3n8xA-4eelA:
19.42
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.
4hds ARSA
ARSB

(Sporomusa ovata) 		PF02277
(DBI_PRT) 		5 HIS A  86
PHE B 327
GLY A  96
ALA A  97
SER A  98
 None
 1.24A 3n8xA-4hdsA:
undetectable		 3n8xA-4hdsA:
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.
4jci PROLINE RACEMASE

(Chromohalobacter
salexigens) 		PF05544
(Pro_racemase) 		5 PHE A  38
ILE A  77
GLY A  61
ALA A  62
LEU A  18
 None
 1.12A 3n8xA-4jciA:
undetectable		 3n8xA-4jciA:
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.
4m8j L-CARNITINE/GAMMA-BU
TYROBETAINE
ANTIPORTER

(Proteus
mirabilis) 		PF02028
(BCCT) 		5 LEU A 371
PHE A 281
ILE A 282
SER A 289
LEU A 139
 None
 1.17A 3n8xA-4m8jA:
0.4		 3n8xA-4m8jA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ot9 NUCLEAR FACTOR
NF-KAPPA-B P100
SUBUNIT

(Homo sapiens) 		PF12796
(Ank_2) 		5 HIS A 493
LEU A 555
GLY A 550
ALA A 551
LEU A 547
 None
 1.20A 3n8xA-4ot9A:
undetectable		 3n8xA-4ot9A:
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.
4pfw ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Thermotoga
maritima) 		PF00496
(SBP_bac_5) 		5 PHE A 245
ILE A 552
GLY A 548
ALA A 536
LEU A  67
 None
 1.25A 3n8xA-4pfwA:
undetectable		 3n8xA-4pfwA:
22.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 HIS A  90
ARG A 121
LEU A 353
TYR A 356
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
LEU A 532
 None
BOG  A 604 ( 3.7A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.62A 3n8xA-4ph9A:
11.5		 3n8xA-4ph9A:
64.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		9 HIS A  90
LEU A 353
TYR A 356
TYR A 386
TRP A 388
PHE A 519
GLY A 527
SER A 531
LEU A 532
 None
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
None
IBP  A 601 (-3.9A)
IBP  A 601 ( 3.3A)
IBP  A 601 ( 4.9A)
 0.72A 3n8xA-4ph9A:
11.5		 3n8xA-4ph9A:
64.31
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.
4qdn FLAGELLAR PROTEIN
FLGJ [PEPTIDOGLYCAN
HYDROLASE]

(Thermotoga
maritima) 		PF01832
(Glucosaminidase) 		5 LEU A  46
PHE A   5
ALA A  13
SER A  12
LEU A  16
 None
 1.26A 3n8xA-4qdnA:
undetectable		 3n8xA-4qdnA:
14.60
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.
4r9l LIMONENE-1,2-EPOXIDE
HYDROLASE

(Rhodococcus
erythropolis) 		PF07858
(LEH) 		5 LEU A  35
TYR A  53
TRP A 130
PHE A  31
ALA A  40
 None
 1.22A 3n8xA-4r9lA:
undetectable		 3n8xA-4r9lA:
14.29
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.
4ri2 PHOTOSYSTEM II 22
KDA PROTEIN,
CHLOROPLASTIC

(Spinacia
oleracea) 		PF00504
(Chloroa_b-bind) 		5 LEU A 156
PHE A  84
GLY A  47
SER A  51
LEU A  52
 None
BNG  A 301 (-4.9A)
None
None
None
 1.03A 3n8xA-4ri2A:
undetectable		 3n8xA-4ri2A:
18.06
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.
4tma DNA GYRASE SUBUNIT B

(Escherichia
coli) 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim) 		5 ILE B 443
GLY B 429
ALA B 428
SER B 427
LEU B 742
 None
 1.05A 3n8xA-4tmaB:
undetectable		 3n8xA-4tmaB:
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.
4x9n L-ALPHA-GLYCEROPHOSP
HATE OXIDASE

(Mycoplasma
pneumoniae) 		PF01266
(DAO) 		5 LEU A 351
ILE A  14
GLY A  12
SER A 157
LEU A 160
 FAD  A 401 (-3.9A)
FAD  A 401 (-4.0A)
FAD  A 401 (-3.2A)
None
None
 1.26A 3n8xA-4x9nA:
undetectable		 3n8xA-4x9nA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xfk PUTATIVE BRANCHED
CHAIN AMINO ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Brucella ovis) 		PF13458
(Peripla_BP_6) 		5 TYR A 238
PHE A 317
GLY A 188
ALA A 189
LEU A 194
 ACT  A 500 (-4.4A)
ACT  A 500 ( 4.9A)
NA  A 502 (-3.6A)
ACT  A 500 (-4.2A)
None
 0.97A 3n8xA-4xfkA:
undetectable		 3n8xA-4xfkA:
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.
4zh7 OUTER MEMBRANE
PROTEIN-ADHESIN

(Helicobacter
pylori) 		no annotation 5 HIS A 331
GLY A  67
ALA A  70
SER A  69
LEU A  73
 None
 1.19A 3n8xA-4zh7A:
undetectable		 3n8xA-4zh7A:
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.
5c5x AQUAPORIN-5

(Homo sapiens) 		PF00230
(MIP) 		5 LEU A  22
ILE A  99
GLY A 103
ALA A 102
LEU A  29
 None
 1.01A 3n8xA-5c5xA:
undetectable		 3n8xA-5c5xA:
19.28
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.
5dgq PUTATIVE
ENDOGLUCANASE-RELATE
D PROTEIN

(Photobacterium
profundum) 		PF00759
(Glyco_hydro_9) 		5 HIS A 299
TRP A 292
ALA A 315
SER A 319
LEU A 316
 None
 1.21A 3n8xA-5dgqA:
undetectable		 3n8xA-5dgqA:
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.
5f9a ADHESIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN,ADHESIN,ADHE
SIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN

(Helicobacter
pylori) 		no annotation 5 HIS A 325
GLY A  67
ALA A  70
SER A  69
LEU A  73
 None
 1.22A 3n8xA-5f9aA:
undetectable		 3n8xA-5f9aA:
21.03
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.
5foe GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
2,THROMBOSPONDIN-1

(Caenorhabditis
elegans;
Homo sapiens) 		PF00090
(TSP_1)
PF10250
(O-FucT) 		5 TRP A  85
PHE A 104
ILE A 364
GLY A 360
ALA A 363
 None
None
None
EDO  A1429 ( 3.9A)
GDP  A1428 (-3.8A)
 1.26A 3n8xA-5foeA:
undetectable		 3n8xA-5foeA:
19.93
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.
5g0a TRANSAMINASE

(Bacillus
megaterium) 		PF00202
(Aminotran_3) 		5 ARG A 116
PHE A  84
GLY A 333
ALA A 332
SER A 119
 None
 1.23A 3n8xA-5g0aA:
undetectable		 3n8xA-5g0aA:
20.81
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.
5gmh TOLL-LIKE RECEPTOR 7

(Macaca mulatta) 		PF00560
(LRR_1)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 LEU A 404
PHE A 382
ILE A 409
ALA A 412
LEU A 414
 None
 1.24A 3n8xA-5gmhA:
undetectable		 3n8xA-5gmhA:
20.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h8a YTH
DOMAIN-CONTAINING
PROTEIN MMI1

(Schizosaccharomyces
pombe) 		PF04146
(YTH) 		5 LEU A 316
PHE A 318
ILE A 448
GLY A 469
SER A 470
 None
 1.21A 3n8xA-5h8aA:
undetectable		 3n8xA-5h8aA:
15.19
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.
5hjr NEUTRAL
ALPHA-GLUCOSIDASE AB

(Mus musculus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 HIS A 647
TYR A 309
ILE A 650
SER A 657
LEU A 658
 None
EDO  A1006 (-4.2A)
None
None
None
 1.00A 3n8xA-5hjrA:
undetectable		 3n8xA-5hjrA:
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.
5i77 ENDO-BETA-1,
4-GLUCANASE

(Aspergillus
niger) 		PF00150
(Cellulase) 		5 HIS A 120
PHE A  44
GLY A 303
ALA A 302
LEU A 313
 None
PEG  A 404 (-3.4A)
None
None
None
 1.24A 3n8xA-5i77A:
undetectable		 3n8xA-5i77A:
19.82
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 HIS A  90
ARG A 120
LEU A 352
TYR A 355
TYR A 385
TRP A 387
GLY A 526
ALA A 527
SER A 530
LEU A 531
 None
ID8  A 601 ( 4.4A)
ID8  A 601 (-4.1A)
ID8  A 601 (-3.8A)
ID8  A 601 ( 3.5A)
COH  A 602 (-4.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
ID8  A 601 (-3.5A)
 0.63A 3n8xA-5ikrA:
58.1		 3n8xA-5ikrA:
63.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		9 HIS A  90
ARG A 120
LEU A 352
TYR A 385
TRP A 387
PHE A 518
GLY A 526
SER A 530
LEU A 531
 None
ID8  A 601 ( 4.4A)
ID8  A 601 (-4.1A)
ID8  A 601 ( 3.5A)
COH  A 602 (-4.5A)
None
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
ID8  A 601 (-3.5A)
 0.82A 3n8xA-5ikrA:
58.1		 3n8xA-5ikrA:
63.88
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.
5ipx ORF49 PROTEIN

(Human
gammaherpesvirus
8) 		PF04793
(Herpes_BBRF1) 		5 HIS A 151
ARG A 160
GLY A 154
ALA A 155
LEU A 159
 None
SO4  A 402 (-4.1A)
None
None
None
 1.11A 3n8xA-5ipxA:
undetectable		 3n8xA-5ipxA:
19.60
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.
5jgp NITRATE/NITRITE
SENSOR PROTEIN NARQ

(Escherichia
coli) 		PF00672
(HAMP)
PF13675
(PilJ) 		5 HIS A  79
LEU A 102
GLY A  47
ALA A  46
LEU A 139
 None
None
NO3  A 301 (-3.2A)
None
None
 1.22A 3n8xA-5jgpA:
undetectable		 3n8xA-5jgpA:
19.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jo5 10E8 GLV

(Homo sapiens) 		no annotation 5 PHE L  62
ILE L  75
GLY L  77
ALA L  78
LEU L  15
 None
 1.16A 3n8xA-5jo5L:
undetectable		 3n8xA-5jo5L:
17.90
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.
5k7l POTASSIUM
VOLTAGE-GATED
CHANNEL SUBFAMILY H
MEMBER 1

(Rattus
norvegicus) 		PF00027
(cNMP_binding)
PF00520
(Ion_trans)
PF13426
(PAS_9) 		5 LEU A 580
ILE A 602
ALA A 632
SER A 630
LEU A 674
 None
 0.90A 3n8xA-5k7lA:
undetectable		 3n8xA-5k7lA:
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.
5kbp GLYCOSYL HYDROLASE,
FAMILY 38

(Enterococcus
faecalis) 		PF01074
(Glyco_hydro_38)
PF07748
(Glyco_hydro_38C)
PF09261
(Alpha-mann_mid) 		5 HIS A 348
TYR A 569
ILE A 353
GLY A 355
SER A 357
 None
 1.19A 3n8xA-5kbpA:
undetectable		 3n8xA-5kbpA:
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.
5khl HEMIN ABC
TRANSPORTER,
PERIPLASMIC
HEMIN-BINDING
PROTEIN HUTB

(Vibrio cholerae) 		PF01497
(Peripla_BP_2) 		5 HIS B  81
LEU B  45
ILE B  83
GLY B  29
ALA B  28
 None
 1.18A 3n8xA-5khlB:
undetectable		 3n8xA-5khlB:
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.
5koi ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Brucella
abortus) 		PF13561
(adh_short_C2) 		5 LEU A  89
PHE A  76
ILE A  79
ALA A  37
LEU A  36
 None
 1.06A 3n8xA-5koiA:
undetectable		 3n8xA-5koiA:
18.15
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.
5kvu ISOCITRATE
DEHYDROGENASE

(Mycobacterium
tuberculosis) 		PF03971
(IDH) 		5 ARG A 147
TRP A 604
GLY A 584
ALA A 585
SER A 565
 MLT  A 802 ( 4.6A)
NAP  A 801 (-3.2A)
None
None
None
 1.24A 3n8xA-5kvuA:
1.6		 3n8xA-5kvuA:
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.
5l6q H5AL

(Homo sapiens) 		PF07686
(V-set) 		5 PHE A  60
ILE A  73
GLY A  75
ALA A  76
LEU A  13
 None
 1.21A 3n8xA-5l6qA:
undetectable		 3n8xA-5l6qA:
12.19
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.
5m22 HYDROQUINONE
DIOXYGENASE SMALL
SUBUNIT

(Sphingomonas
sp. TTNP3) 		no annotation 5 TYR A  44
ILE A  84
GLY A  82
ALA A 145
LEU A  11
 None
 1.23A 3n8xA-5m22A:
undetectable		 3n8xA-5m22A:
17.48
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.
5odr METHYL-VIOLOGEN
REDUCING
HYDROGENASE, SUBUNIT
A

(Methanothermococcus
thermolithotrophicus) 		PF00374
(NiFeSe_Hases) 		5 LEU F 395
ILE F 379
GLY F 369
ALA F  71
SER F  72
 None
 1.20A 3n8xA-5odrF:
undetectable		 3n8xA-5odrF:
23.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tf4 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Bartonella
henselae) 		PF13561
(adh_short_C2) 		5 LEU A  92
ILE A  15
GLY A  17
ALA A  95
LEU A 147
 None
None
NAD  A 300 (-3.4A)
NAD  A 300 (-4.0A)
NAD  A 300 (-3.6A)
 1.21A 3n8xA-5tf4A:
undetectable		 3n8xA-5tf4A:
17.09
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.
5tf4 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH]

(Bartonella
henselae) 		PF13561
(adh_short_C2) 		5 LEU A  92
PHE A  79
ILE A  82
ALA A  40
LEU A  39
 None
 1.17A 3n8xA-5tf4A:
undetectable		 3n8xA-5tf4A:
17.09
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.
5vym BETA-GALACTOSIDASE
BGAB

(Bifidobacterium
adolescentis) 		PF08532
(Glyco_hydro_42M) 		5 LEU A 119
TYR A 107
GLY A 109
ALA A 110
LEU A  69
 None
 1.11A 3n8xA-5vymA:
undetectable		 3n8xA-5vymA:
18.84
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.
5w7k OXAG

(Penicillium
oxalicum) 		no annotation 5 LEU A  50
PHE A 124
ILE A  35
GLY A  39
SER A  43
 None
 1.25A 3n8xA-5w7kA:
undetectable		 3n8xA-5w7kA:
9.32
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.
5ybp PRHA

(Penicillium
brasilianum) 		no annotation 5 LEU A 231
PHE A 112
ILE A 233
SER A  90
LEU A  92
 None
 1.25A 3n8xA-5ybpA:
undetectable		 3n8xA-5ybpA:
9.66
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.
6bar ROD SHAPE
DETERMINING PROTEIN
RODA

(Thermus
thermophilus) 		no annotation 5 LEU A 181
PHE A 309
GLY A 154
ALA A 156
LEU A 148
 None
 1.26A 3n8xA-6barA:
0.2		 3n8xA-6barA:
11.01
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.
6fb3 TENEURIN-2

(Gallus gallus) 		no annotation 5 ARG A2335
LEU A2077
ILE A2091
GLY A2332
LEU A2539
 None
 1.16A 3n8xA-6fb3A:
undetectable		 3n8xA-6fb3A:
8.51