SIMILAR PATTERNS OF AMINO ACIDS FOR 5IEN_A_VDYA201_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.
1a2z PYRROLIDONE CARBOXYL
PEPTIDASE

(Thermococcus
litoralis) 		PF01470
(Peptidase_C15) 		5 PHE A 165
LEU A  53
ILE A  60
THR A  20
ALA A  24
 None
 1.36A 5ienA-1a2zA:
0.0		 5ienA-1a2zA:
21.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b0u HISTIDINE PERMEASE

(Salmonella
enterica) 		PF00005
(ABC_tran) 		5 LEU A  22
PHE A  48
LEU A   7
ILE A  70
LEU A  91
 None
 1.31A 5ienA-1b0uA:
0.0		 5ienA-1b0uA:
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.
1d7w MYELOPEROXIDASE

(Homo sapiens) 		PF03098
(An_peroxidase) 		5 PHE C 520
LEU C 260
ILE C 536
ALA C 173
LEU C 253
 None
None
ACT  C1609 (-4.5A)
None
None
 1.36A 5ienA-1d7wC:
0.0		 5ienA-1d7wC:
13.89
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.
1hyg L-LACTATE/MALATE
DEHYDROGENASE

(Methanocaldococcus
jannaschii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 LEU A  20
MET A  26
ILE A  61
GLU A 229
LEU A  31
 None
 1.27A 5ienA-1hygA:
0.0		 5ienA-1hygA:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jik TYROSYL-TRNA
SYNTHETASE

(Staphylococcus
aureus) 		PF00579
(tRNA-synt_1b) 		5 LEU A  51
LEU A 274
ILE A 265
THR A 304
ALA A 300
 None
 1.37A 5ienA-1jikA:
0.0		 5ienA-1jikA:
15.44
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Zea mays) 		PF00311
(PEPcase) 		5 LEU A 812
MET A 815
GLU A 866
ALA A 796
LEU A 611
 None
 1.39A 5ienA-1jqoA:
0.0		 5ienA-1jqoA:
8.56
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.
1ovl ORPHAN NUCLEAR
RECEPTOR NURR1 (MSE
496, 511)

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 LEU B 430
PHE B 427
LEU B 446
ILE B 506
LEU B 559
 None
 1.35A 5ienA-1ovlB:
undetectable		 5ienA-1ovlB:
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.
1pgp 6-PHOSPHOGLUCONATE
DEHYDROGENASE

(Ovis aries) 		PF00393
(6PGD)
PF03446
(NAD_binding_2) 		5 LEU A  57
MET A  60
ILE A  97
ALA A  79
LEU A  72
 None
 1.23A 5ienA-1pgpA:
0.0		 5ienA-1pgpA:
16.10
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.
1qfx PROTEIN (PH 2.5 ACID
PHOSPHATASE)

(Aspergillus
niger) 		PF00328
(His_Phos_2) 		5 PHE A 260
TRP A 256
LEU A  98
ILE A  86
ALA A  79
 None
 1.32A 5ienA-1qfxA:
0.0		 5ienA-1qfxA:
14.00
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.
1qpa LIGNIN PEROXIDASE

(Phanerochaete
chrysosporium) 		PF00141
(peroxidase)
PF11895
(Peroxidase_ext) 		5 LEU A 261
LEU A 325
ILE A 313
THR A 196
LEU A 210
 None
None
None
CA  A 351 (-3.7A)
None
 1.38A 5ienA-1qpaA:
0.0		 5ienA-1qpaA:
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.
1s4o GLYCOLIPID
2-ALPHA-MANNOSYLTRAN
SFERASE

(Saccharomyces
cerevisiae) 		PF01793
(Glyco_transf_15) 		5 PHE A 231
MET A 264
ILE A 110
ALA A 368
LEU A 373
 None
 1.23A 5ienA-1s4oA:
undetectable		 5ienA-1s4oA:
16.36
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.
1u31 NAD(P)
TRANSHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF02233
(PNTB) 		5 PHE A 118
ILE A  65
THR A 132
ALA A 129
LEU A  56
 None
None
NDP  A 300 (-2.6A)
NDP  A 300 (-3.5A)
None
 1.36A 5ienA-1u31A:
undetectable		 5ienA-1u31A:
21.74
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.
1vfg POLY A POLYMERASE

(Aquifex
aeolicus) 		PF01743
(PolyA_pol) 		5 PHE A 276
LEU A 218
ILE A 153
ALA A 199
LEU A 157
 None
 1.35A 5ienA-1vfgA:
undetectable		 5ienA-1vfgA:
17.27
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.
1x1q TRYPTOPHAN SYNTHASE
BETA CHAIN

(Thermus
thermophilus) 		PF00291
(PALP) 		5 TRP A  90
LEU A  86
ILE A 369
ALA A 378
LEU A 399
 None
 1.33A 5ienA-1x1qA:
undetectable		 5ienA-1x1qA:
15.31
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.
1ykg SULFITE REDUCTASE
[NADPH] FLAVOPROTEIN
ALPHA-COMPONENT

(Escherichia
coli) 		PF00258
(Flavodoxin_1) 		5 LEU A  81
LEU A 171
ILE A 105
ALA A  68
LEU A 130
 None
 1.30A 5ienA-1ykgA:
undetectable		 5ienA-1ykgA:
23.67
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.
1zc1 UBIQUITIN FUSION
DEGRADATION PROTEIN
1

(Saccharomyces
cerevisiae) 		PF03152
(UFD1) 		5 LEU A  96
MET A 100
ILE A 114
ALA A  89
LEU A  50
 None
 1.27A 5ienA-1zc1A:
undetectable		 5ienA-1zc1A:
20.27
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.
1zrz PROTEIN KINASE C,
IOTA

(Homo sapiens) 		PF00069
(Pkinase)
PF00433
(Pkinase_C) 		5 TRP A 427
LEU A 430
ILE A 383
GLU A 362
LEU A 385
 None
 1.33A 5ienA-1zrzA:
undetectable		 5ienA-1zrzA:
17.17
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.
2a6y EMP47P (FORM1)

(Saccharomyces
cerevisiae) 		PF03388
(Lectin_leg-like) 		5 LEU A 131
PHE A 148
LEU A 127
MET A 153
ILE A  87
 None
 1.16A 5ienA-2a6yA:
undetectable		 5ienA-2a6yA:
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.
2ahw PUTATIVE ENZYME YDIF

(Escherichia
coli) 		PF01144
(CoA_trans) 		5 LEU A 423
GLU A 469
THR A 468
ALA A 471
LEU A 491
 None
 1.33A 5ienA-2ahwA:
undetectable		 5ienA-2ahwA:
14.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cdq ASPARTOKINASE

(Arabidopsis
thaliana) 		PF00696
(AA_kinase) 		5 LEU A 119
ILE A 211
THR A  69
ALA A  65
LEU A  63
 None
None
None
LYS  A 601 (-3.9A)
None
 1.12A 5ienA-2cdqA:
undetectable		 5ienA-2cdqA:
13.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dby GTP-BINDING PROTEIN

(Thermus
thermophilus) 		PF01926
(MMR_HSR1)
PF06071
(YchF-GTPase_C) 		5 PHE A 110
LEU A 215
THR A  16
ALA A 247
LEU A 249
 GDP  A 501 (-4.1A)
None
GDP  A 501 (-3.9A)
None
None
 1.30A 5ienA-2dbyA:
undetectable		 5ienA-2dbyA:
16.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2efe SIMILARITY TO
VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN VPS9

(Arabidopsis
thaliana) 		PF02204
(VPS9) 		5 LEU A 188
PHE A 187
LEU A 160
ILE A 210
LEU A 219
 None
 1.28A 5ienA-2efeA:
undetectable		 5ienA-2efeA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ekl D-3-PHOSPHOGLYCERATE
DEHYDROGENASE

(Sulfurisphaera
tokodaii) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 ILE A  44
GLU A  85
THR A  84
ALA A  87
LEU A  69
 None
 1.15A 5ienA-2eklA:
undetectable		 5ienA-2eklA:
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.
2f8l HYPOTHETICAL PROTEIN
LMO1582

(Listeria
monocytogenes) 		PF02384
(N6_Mtase) 		5 LEU A 243
ILE A 271
THR A 135
ALA A 107
LEU A 109
 None
 1.21A 5ienA-2f8lA:
undetectable		 5ienA-2f8lA:
17.78
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.
2ftp HYDROXYMETHYLGLUTARY
L-COA LYASE

(Pseudomonas
aeruginosa) 		PF00682
(HMGL-like) 		5 LEU A 296
LEU A  37
ILE A 280
ALA A 251
LEU A 237
 None
 1.23A 5ienA-2ftpA:
undetectable		 5ienA-2ftpA:
19.54
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.
2gh0 GDNF FAMILY RECEPTOR
ALPHA-3

(Homo sapiens) 		PF02351
(GDNF) 		5 PHE A 204
LEU A 217
MET A 349
THR A 301
LEU A 341
 None
 1.29A 5ienA-2gh0A:
undetectable		 5ienA-2gh0A:
17.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hne L-FUCONATE
DEHYDRATASE

(Xanthomonas
campestris) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 PHE A 391
MET A 111
LEU A 357
ILE A  56
ALA A  35
 None
 1.26A 5ienA-2hneA:
undetectable		 5ienA-2hneA:
16.89
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.
2hor ALLIIN LYASE 1

(Allium sativum) 		PF04863
(EGF_alliinase)
PF04864
(Alliinase_C) 		5 LEU A 105
LEU A 246
ILE A 265
THR A 285
LEU A 274
 None
 1.34A 5ienA-2horA:
undetectable		 5ienA-2horA:
13.72
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.
2j8i NP275

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		5 LEU A  82
LEU A  22
MET A   1
ILE A  30
ALA A  55
 None
 1.25A 5ienA-2j8iA:
undetectable		 5ienA-2j8iA:
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.
2j8k NP275-NP276

(Nostoc
punctiforme) 		PF00805
(Pentapeptide) 		6 LEU A  82
LEU A  22
MET A   1
ILE A  30
ALA A  55
LEU A  32
 None
 1.32A 5ienA-2j8kA:
undetectable		 5ienA-2j8kA:
19.63
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.
2mj7 AP-4 COMPLEX SUBUNIT
BETA-1

(Homo sapiens) 		PF09066
(B2-adapt-app_C) 		5 LEU A  28
PHE A  33
TRP A  37
ILE A 126
LEU A 122
 None
 1.21A 5ienA-2mj7A:
1.7		 5ienA-2mj7A:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nyz HYPOTHETICAL PROTEIN
GAMMAHV.M3

(Murid
gammaherpesvirus
4) 		PF09213
(M3) 		5 LEU A  55
ILE A  26
GLU A 197
THR A 183
LEU A  65
 None
 1.13A 5ienA-2nyzA:
undetectable		 5ienA-2nyzA:
17.68
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.
2o6w REPEAT FIVE RESIDUE
(RFR) PROTEIN OR
PENTAPEPTIDE REPEAT
PROTEIN

(Cyanothece) 		PF00805
(Pentapeptide) 		5 LEU A  97
ILE A 165
THR A 110
ALA A 130
LEU A 147
 None
 1.22A 5ienA-2o6wA:
undetectable		 5ienA-2o6wA:
19.25
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.
2qe7 ATP SYNTHASE SUBUNIT
BETA

(Bacillus sp.
TA2.A1) 		PF00006
(ATP-synt_ab)
PF02874
(ATP-synt_ab_N) 		5 LEU D 260
ILE D  77
THR D  61
ALA D  59
LEU D  93
 None
 1.32A 5ienA-2qe7D:
undetectable		 5ienA-2qe7D:
16.89
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.
2qgh DIAMINOPIMELATE
DECARBOXYLASE

(Helicobacter
pylori) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 LEU A  40
LEU A  28
ILE A  23
ALA A  58
LEU A  56
 None
 1.29A 5ienA-2qghA:
undetectable		 5ienA-2qghA:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qgm SUCCINOGLYCAN
BIOSYNTHESIS PROTEIN

(Bacillus cereus) 		PF05139
(Erythro_esteras) 		5 LEU A 426
LEU A  79
MET A 302
ILE A  71
LEU A  67
 None
 1.10A 5ienA-2qgmA:
undetectable		 5ienA-2qgmA:
14.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rb5 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		5 LEU A 219
LEU A  13
ILE A  39
THR A 243
ALA A 254
 None
 1.26A 5ienA-2rb5A:
undetectable		 5ienA-2rb5A:
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.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 LEU A1689
PHE A1712
ILE A1818
ALA A1655
LEU A1814
 None
 1.16A 5ienA-2vz9A:
undetectable		 5ienA-2vz9A:
4.49
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.
2w87 ESTERASE D

(Cellvibrio
japonicus) 		PF03422
(CBM_6) 		5 ILE A  65
GLU A 126
THR A 124
ALA A 122
LEU A 120
 None
 1.10A 5ienA-2w87A:
undetectable		 5ienA-2w87A:
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.
2wex APOLIPOPROTEIN M

(Homo sapiens) 		PF11032
(ApoM) 		5 LEU A  60
PHE A  63
MET A  73
ILE A 132
LEU A 123
 None
GYM  A1186 (-4.6A)
GYM  A1186 ( 4.9A)
GYM  A1186 ( 4.6A)
None
 1.26A 5ienA-2wexA:
undetectable		 5ienA-2wexA:
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.
2yxg DIHYDRODIPICOLINATE
SYNTHASE

(Methanocaldococcus
jannaschii) 		PF00701
(DHDPS) 		5 LEU A  50
LEU A 254
MET A 257
ALA A   8
LEU A  30
 None
 1.37A 5ienA-2yxgA:
undetectable		 5ienA-2yxgA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zr1 AGGLUTININ-1 CHAIN A

(Abrus
precatorius) 		PF00161
(RIP) 		5 LEU A 130
LEU A  65
ILE A   4
ALA A 164
LEU A  23
 None
 1.38A 5ienA-2zr1A:
undetectable		 5ienA-2zr1A:
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.
2zu0 PROTEIN SUFD

(Escherichia
coli) 		PF01458
(UPF0051) 		5 LEU A 418
ILE A 367
THR A 398
ALA A 394
LEU A 335
 None
 1.24A 5ienA-2zu0A:
undetectable		 5ienA-2zu0A:
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.
2zws NEUTRAL CERAMIDASE

(Pseudomonas
aeruginosa) 		PF04734
(Ceramidase_alk)
PF17048
(Ceramidse_alk_C) 		5 PHE A 123
LEU A  93
ILE A 134
ALA A  76
LEU A  78
 None
 1.25A 5ienA-2zwsA:
undetectable		 5ienA-2zwsA:
12.04
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.
3fcr PUTATIVE
AMINOTRANSFERASE

(Ruegeria sp.
TM1040) 		PF00202
(Aminotran_3) 		5 LEU A 348
LEU A 359
MET A 363
ILE A 234
ALA A  56
 None
 1.37A 5ienA-3fcrA:
undetectable		 5ienA-3fcrA:
15.33
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.
3i6b 3-DEOXY-D-MANNO-OCTU
LOSONATE 8-PHOSPHATE
PHOSPHATASE

(Escherichia
coli) 		PF08282
(Hydrolase_3) 		5 LEU A 138
ILE A  74
THR A 157
ALA A 165
LEU A  37
 None
 1.24A 5ienA-3i6bA:
undetectable		 5ienA-3i6bA:
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.
3mn1 PROBABLE YRBI FAMILY
PHOSPHATASE

(Pseudomonas
savastanoi) 		PF08282
(Hydrolase_3) 		5 LEU A 129
ILE A  65
THR A 148
ALA A 156
LEU A  28
 None
 1.32A 5ienA-3mn1A:
undetectable		 5ienA-3mn1A:
27.46
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.
3naw SECRETED EFFECTOR
PROTEIN

(Escherichia
coli) 		PF00805
(Pentapeptide)
PF13979
(SopA_C)
PF13981
(SopA) 		5 TRP A 781
LEU A 629
ILE A 611
THR A 758
LEU A 689
 None
 1.32A 5ienA-3nawA:
undetectable		 5ienA-3nawA:
12.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3opx PROTEIN SSM1

(Saccharomyces
cerevisiae) 		PF13419
(HAD_2) 		5 LEU A 120
MET A 123
ILE A 201
THR A  46
LEU A 222
 None
 1.33A 5ienA-3opxA:
undetectable		 5ienA-3opxA:
24.02
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.
3qye TBC1 DOMAIN FAMILY
MEMBER 1

(Homo sapiens) 		PF00566
(RabGAP-TBC) 		5 LEU A1033
PHE A 978
TRP A 969
ILE A1022
LEU A 955
 None
 1.24A 5ienA-3qyeA:
undetectable		 5ienA-3qyeA:
16.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r4c HYDROLASE, HALOACID
DEHALOGENASE-LIKE
HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF08282
(Hydrolase_3) 		5 LEU A 216
LEU A  13
ILE A  39
THR A 240
ALA A 251
 None
 1.39A 5ienA-3r4cA:
undetectable		 5ienA-3r4cA:
18.05
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.
3s51 FANCONI ANEMIA GROUP
I PROTEIN HOMOLOG

(Mus musculus) 		PF14674
(FANCI_S1-cap)
PF14675
(FANCI_S1)
PF14676
(FANCI_S2)
PF14677
(FANCI_S3)
PF14678
(FANCI_S4)
PF14679
(FANCI_HD1)
PF14680
(FANCI_HD2) 		5 LEU A 460
PHE A 463
LEU A 506
THR A 483
LEU A 520
 None
 1.29A 5ienA-3s51A:
undetectable		 5ienA-3s51A:
7.96
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.
3sfy CRYPTOCOCCUS
NEOFORMANS PROTEIN
FARNESYLTRANSFERASE
ALPHA SUBUNIT

(Cryptococcus
neoformans) 		PF01239
(PPTA) 		5 LEU A 279
ILE A 217
THR A 256
ALA A 290
LEU A 234
 None
 1.29A 5ienA-3sfyA:
undetectable		 5ienA-3sfyA:
15.07
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.
3tfx OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Lactobacillus
acidophilus) 		PF00215
(OMPdecase) 		5 LEU A  11
LEU A  61
MET A  63
ILE A  82
LEU A  80
 None
 1.27A 5ienA-3tfxA:
undetectable		 5ienA-3tfxA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3umb DEHALOGENASE-LIKE
HYDROLASE

(Ralstonia
solanacearum) 		PF00702
(Hydrolase) 		5 MET A 219
LEU A 141
ILE A 120
ALA A 100
LEU A  15
 None
 1.30A 5ienA-3umbA:
undetectable		 5ienA-3umbA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v8d CHOLESTEROL
7-ALPHA-MONOOXYGENAS
E

(Homo sapiens) 		PF00067
(p450) 		5 LEU A 138
PHE A 449
LEU A 149
MET A 153
ILE A 333
 None
 1.39A 5ienA-3v8dA:
undetectable		 5ienA-3v8dA:
14.82
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.
3v94 CYCLIC NUCLEOTIDE
SPECIFIC
PHOSPHODIESTERASE

(Trypanosoma
cruzi) 		PF00233
(PDEase_I) 		5 TRP A 339
LEU A 394
ILE A 472
ALA A 406
LEU A 476
 None
 1.24A 5ienA-3v94A:
undetectable		 5ienA-3v94A:
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.
3vas PUTATIVE ADENOSINE
KINASE

(Schistosoma
mansoni) 		PF00294
(PfkB) 		5 LEU A 186
PHE A 252
LEU A 261
ILE A 309
GLU A 189
 None
 1.34A 5ienA-3vasA:
undetectable		 5ienA-3vasA:
16.72
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.
4fha DIHYDRODIPICOLINATE
SYNTHASE

(Streptococcus
pneumoniae) 		PF00701
(DHDPS) 		5 LEU A  57
LEU A 262
MET A 265
ALA A  14
LEU A  37
 None
None
None
KPI  A 168 ( 3.5A)
None
 1.32A 5ienA-4fhaA:
undetectable		 5ienA-4fhaA:
17.95
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.
4g1b FLAVOHEMOGLOBIN

(Saccharomyces
cerevisiae) 		PF00042
(Globin)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 LEU A 145
ILE A 190
GLU A 293
ALA A 214
LEU A 220
 None
 1.35A 5ienA-4g1bA:
undetectable		 5ienA-4g1bA:
16.06
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.
4iuk NREA PROTEIN

(Staphylococcus
carnosus) 		PF13185
(GAF_2) 		5 LEU A 103
PHE A  28
ILE A 140
ALA A  68
LEU A 111
 None
None
None
NO3  A 200 (-3.7A)
None
 1.28A 5ienA-4iukA:
undetectable		 5ienA-4iukA:
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.
4iuk NREA PROTEIN

(Staphylococcus
carnosus) 		PF13185
(GAF_2) 		5 PHE A  28
LEU A  17
ILE A 140
ALA A  68
LEU A 111
 None
None
None
NO3  A 200 (-3.7A)
None
 1.34A 5ienA-4iukA:
undetectable		 5ienA-4iukA:
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.
4jwh TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Schizosaccharomyces
pombe) 		PF01746
(tRNA_m1G_MT) 		5 PHE A 265
TRP A 261
ILE A  97
THR A 190
ALA A 227
 None
 1.26A 5ienA-4jwhA:
undetectable		 5ienA-4jwhA:
18.27
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.
4kpr THIOREDOXIN
REDUCTASE 1,
CYTOPLASMIC

(Rattus
norvegicus) 		no annotation 5 LEU E 302
PHE E 134
LEU E  15
THR E 161
LEU E 353
 None
None
None
FAD  E 505 (-3.9A)
None
 1.35A 5ienA-4kprE:
undetectable		 5ienA-4kprE:
13.93
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.
4l37 SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		5 ILE A 415
GLU A 203
THR A 280
ALA A 407
LEU A 411
 None
NA  A 707 ( 4.1A)
None
None
None
 1.34A 5ienA-4l37A:
undetectable		 5ienA-4l37A:
10.71
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.
4le6 ORGANOPHOSPHORUS
HYDROLASE

(Pseudomonas
pseudoalcaligenes) 		PF00753
(Lactamase_B) 		5 LEU A 242
PHE A 235
LEU A 100
ALA A  91
LEU A 122
 None
 1.39A 5ienA-4le6A:
undetectable		 5ienA-4le6A:
17.33
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.
4mn8 LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 685
PHE A 680
LEU A 630
ILE A 591
LEU A 619
 None
 1.36A 5ienA-4mn8A:
undetectable		 5ienA-4mn8A:
10.46
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.
4o6x ANKYRIN-3

(Homo sapiens) 		PF00531
(Death) 		5 PHE A  28
LEU A  52
ILE A  80
ALA A  67
LEU A  84
 None
 1.25A 5ienA-4o6xA:
undetectable		 5ienA-4o6xA:
23.97
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.
4om9 SERINE PROTEASE PET

(Escherichia
coli) 		PF02395
(Peptidase_S6) 		5 LEU A 225
ILE A 130
THR A 185
ALA A 183
LEU A 181
 None
 1.33A 5ienA-4om9A:
undetectable		 5ienA-4om9A:
8.67
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.
4pju COHESIN SUBUNIT SA-2
DOUBLE-STRAND-BREAK
REPAIR PROTEIN RAD21
HOMOLOG

(Homo sapiens) 		PF08514
(STAG)
no annotation 		5 LEU A 825
PHE A 828
ILE A 899
ALA B 377
LEU B 372
 None
 1.20A 5ienA-4pjuA:
undetectable		 5ienA-4pjuA:
9.18
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.
4pts GLUTATHIONE
S-TRANSFERASE

(Gordonia
bronchialis) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		5 TRP A 310
LEU A 256
MET A 259
THR A 279
LEU A 234
 None
 1.39A 5ienA-4ptsA:
undetectable		 5ienA-4ptsA:
17.46
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.
4qan HYPOTHETICAL PROTEIN

([Ruminococcus]
gnavus) 		no annotation 5 LEU A  39
PHE A 241
LEU A 119
ILE A 262
THR A 275
 None
 1.32A 5ienA-4qanA:
4.5		 5ienA-4qanA:
18.21
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.
4qjy GH127
BETA-L-ARABINOFURANO
SIDASE

(Geobacillus
stearothermophilus) 		PF07944
(Glyco_hydro_127) 		5 PHE A 336
LEU A 358
ILE A 422
GLU A  78
ALA A 416
 None
 1.21A 5ienA-4qjyA:
undetectable		 5ienA-4qjyA:
12.21
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.
4w66 GLUTATHIONE
S-TRANSFERASE DOMAIN
PROTEIN

(Haliangium
ochraceum) 		PF14497
(GST_C_3) 		5 LEU A  13
PHE A 213
LEU A 134
GLU A 165
LEU A 186
 None
 1.37A 5ienA-4w66A:
undetectable		 5ienA-4w66A:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xhc ALPHA-L-RHAMNOSIDASE

(Klebsiella
oxytoca) 		PF17389
(Bac_rhamnosid6H) 		5 LEU A  61
PHE A  64
LEU A 104
ILE A 145
LEU A 147
 None
 1.26A 5ienA-4xhcA:
undetectable		 5ienA-4xhcA:
12.88
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.
4yei BETA1MUT

(synthetic
construct) 		PF00805
(Pentapeptide) 		5 LEU A 102
LEU A  42
MET A  21
ALA A  75
LEU A  52
 None
 1.23A 5ienA-4yeiA:
undetectable		 5ienA-4yeiA:
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.
4za6 TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Rhodococcus
erythropolis) 		no annotation 5 LEU A 180
ILE A  78
GLU A 117
ALA A 121
LEU A 128
 None
 1.30A 5ienA-4za6A:
undetectable		 5ienA-4za6A:
26.67
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.
5a2a APO FORM OF
ANOXYBACILLUS
ALPHA-AMYLASES

(Anoxybacillus
ayderensis) 		PF00128
(Alpha-amylase) 		5 LEU A 445
LEU A 306
ILE A 274
ALA A 339
LEU A 285
 None
 1.22A 5ienA-5a2aA:
2.9		 5ienA-5a2aA:
14.22
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.
5b8i CALCINEURIN SUBUNIT
B, VARIANT
SERINE/THREONINE-PRO
TEIN PHOSPHATASE

(Coccidioides
immitis) 		PF00149
(Metallophos)
PF13202
(EF-hand_5)
PF13499
(EF-hand_7) 		5 PHE B 153
LEU B 116
ILE B 132
THR B 160
LEU A 361
 None
FK5  C 201 ( 4.7A)
None
None
None
 1.16A 5ienA-5b8iB:
undetectable		 5ienA-5b8iB:
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.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A 289
PHE A 286
LEU A 100
ALA A 126
LEU A 117
 None
 1.38A 5ienA-5by7A:
undetectable		 5ienA-5by7A:
16.86
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.
5hk2 SIGMA NON-OPIOID
INTRACELLULAR
RECEPTOR 1

(Homo sapiens) 		PF04622
(ERG2_Sigma1R) 		5 LEU A 203
MET A 170
ILE A 124
THR A 189
ALA A  86
 None
None
61V  A 301 ( 4.7A)
None
None
 1.30A 5ienA-5hk2A:
undetectable		 5ienA-5hk2A:
19.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i1f UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Burkholderia
vietnamiensis) 		PF00483
(NTP_transferase) 		5 LEU A 136
LEU A 111
ILE A 235
ALA A 128
LEU A 210
 None
UPG  A 301 (-3.6A)
None
None
None
 1.31A 5ienA-5i1fA:
undetectable		 5ienA-5i1fA:
17.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ieo CDL2.3A

(synthetic
construct) 		PF14534
(DUF4440) 		5 LEU A  12
PHE A  15
LEU A  54
GLU A 106
ALA A 123
 VDY  A 206 ( 4.3A)
VDY  A 206 (-3.5A)
VDY  A 206 ( 3.9A)
VDY  A 206 (-2.4A)
VDY  A 206 ( 3.1A)
 1.29A 5ienA-5ieoA:
22.8		 5ienA-5ieoA:
91.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ieo CDL2.3A

(synthetic
construct) 		PF14534
(DUF4440) 		8 LEU A  12
PHE A  15
MET A  42
MET A  61
ILE A 100
GLU A 106
THR A 121
ALA A 123
 VDY  A 206 ( 4.3A)
VDY  A 206 (-3.5A)
VDY  A 206 ( 3.5A)
VDY  A 206 ( 3.1A)
VDY  A 206 (-2.9A)
VDY  A 206 (-2.4A)
VDY  A 206 (-3.4A)
VDY  A 206 ( 3.1A)
 0.85A 5ienA-5ieoA:
22.8		 5ienA-5ieoA:
91.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ieo CDL2.3A

(synthetic
construct) 		PF14534
(DUF4440) 		9 LEU A  12
PHE A  15
MET A  42
TRP A  55
LEU A  58
MET A  61
GLU A 106
THR A 121
ALA A 123
 VDY  A 206 ( 4.3A)
VDY  A 206 (-3.5A)
VDY  A 206 ( 3.5A)
VDY  A 206 ( 4.4A)
VDY  A 206 ( 4.7A)
VDY  A 206 ( 3.1A)
VDY  A 206 (-2.4A)
VDY  A 206 (-3.4A)
VDY  A 206 ( 3.1A)
 0.38A 5ienA-5ieoA:
22.8		 5ienA-5ieoA:
91.97
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.
5j49 UTP--GLUCOSE-1-PHOSP
HATE
URIDYLYLTRANSFERASE

(Paraburkholderia
xenovorans) 		PF00483
(NTP_transferase) 		5 LEU A 136
LEU A 111
ILE A 235
ALA A 128
LEU A 210
 None
 1.30A 5ienA-5j49A:
undetectable		 5ienA-5j49A:
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 LEU A 269
PHE A 242
ILE A 135
THR A 192
ALA A 165
 None
 1.31A 5ienA-5jd4A:
undetectable		 5ienA-5jd4A:
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.
5khn RND TRANSPORTER

(Burkholderia
multivorans) 		no annotation 5 PHE B 541
TRP B 661
LEU B 669
GLU B 503
ALA B 505
 None
 1.11A 5ienA-5khnB:
undetectable		 5ienA-5khnB:
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.
5lc5 NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L

(Bos taurus) 		PF00361
(Proton_antipo_M)
PF00420
(Oxidored_q2)
PF06444
(NADH_dehy_S2_C) 		5 LEU K  40
MET K  43
ILE N  76
ALA N 101
LEU N  97
 None
 1.36A 5ienA-5lc5K:
undetectable		 5ienA-5lc5K:
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.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 LEU A  56
ILE A  22
GLU A 145
ALA A 138
LEU A  89
 None
 1.34A 5ienA-5lhvA:
undetectable		 5ienA-5lhvA:
18.40
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.
5ls6 HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2,HISTONE-LYSINE
N-METHYLTRANSFERASE
EZH2
POLYCOMB PROTEIN
SUZ12

(Homo sapiens) 		PF00856
(SET)
PF09733
(VEFS-Box)
PF11616
(EZH2_WD-Binding) 		5 TRP C 591
LEU A 116
ILE A 645
THR C 596
LEU A 296
 None
 1.28A 5ienA-5ls6C:
undetectable		 5ienA-5ls6C:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mz9 -

(-) 		no annotation 5 LEU A 275
LEU A 384
ILE A 502
GLU A 224
THR A 158
 None
 1.01A 5ienA-5mz9A:
2.7		 5ienA-5mz9A:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nws SAACMM

(Streptomyces
antibioticus) 		no annotation 5 PHE A  37
ILE A 361
GLU A 414
ALA A 281
LEU A 283
 PG4  A 503 (-3.6A)
None
PG4  A 503 ( 4.6A)
None
None
 1.09A 5ienA-5nwsA:
undetectable		 5ienA-5nwsA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x5t ALPHA-KETOGLUTARIC
SEMIALDEHYDE
DEHYDROGENASE

(Azospirillum
brasilense) 		PF00171
(Aldedh) 		5 LEU A 190
ILE A 204
GLU A 461
ALA A 167
LEU A 169
 None
 1.07A 5ienA-5x5tA:
undetectable		 5ienA-5x5tA:
14.65
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.
5x7u TREHALOSE SYNTHASE

(Thermobaculum
terrenum) 		no annotation 5 PHE A 424
MET A 325
LEU A 349
MET A 359
LEU A 312
 None
 1.33A 5ienA-5x7uA:
2.4		 5ienA-5x7uA:
23.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xbk IMPORTIN-4

(Homo sapiens) 		no annotation 5 LEU D1008
PHE D1005
LEU D 991
ILE D 961
LEU D 949
 None
 1.24A 5ienA-5xbkD:
undetectable		 5ienA-5xbkD:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xtc NADH DEHYDROGENASE
[UBIQUINONE]
IRON-SULFUR PROTEIN
5
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
2
NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
4L

(Homo sapiens) 		no annotation 5 LEU h  18
MET i  97
THR k  48
ALA k  44
LEU k  40
 None
 1.20A 5ienA-5xtch:
undetectable		 5ienA-5xtch:
16.79
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.
6azp MYELOPEROXIDASE

(Homo sapiens) 		no annotation 5 PHE A 686
LEU A 426
ILE A 702
ALA A 339
LEU A 419
 None
 1.32A 5ienA-6azpA:
undetectable		 5ienA-6azpA:
18.32
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 5 LEU A1125
MET A1120
ILE A1006
GLU A1536
THR A1549
 None
 1.34A 5ienA-6fayA:
undetectable		 5ienA-6fayA:
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.
6fay ODZ3 PROTEIN

(Mus musculus) 		no annotation 5 MET A1120
ILE A1006
GLU A1536
THR A1549
LEU A1580
 None
 1.02A 5ienA-6fayA:
undetectable		 5ienA-6fayA:
19.85