SIMILAR PATTERNS OF AMINO ACIDS FOR 3MDT_A_VORA506_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.
1a7j PHOSPHORIBULOKINASE

(Rhodobacter
sphaeroides) 		PF00485
(PRK) 		5 PHE A 206
VAL A 231
ILE A 275
ALA A 271
THR A  24
 None
 1.32A 3mdtA-1a7jA:
undetectable		 3mdtA-1a7jA:
22.17
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.
1att ANTITHROMBIN III

(Bos taurus) 		PF00079
(Serpin) 		5 LEU A 214
VAL A 365
ALA A 368
THR A 387
ALA A  87
 None
 1.24A 3mdtA-1attA:
0.3		 3mdtA-1attA:
22.33
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.
1att ANTITHROMBIN III

(Bos taurus) 		PF00079
(Serpin) 		5 LEU A 341
PHE A 345
VAL A 332
ALA A  87
THR A  91
 None
 1.21A 3mdtA-1attA:
0.3		 3mdtA-1attA:
22.33
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.
1e5i DEACETOXYCEPHALOSPOR
IN C SYNTHASE

(Streptomyces
clavuligerus) 		PF03171
(2OG-FeII_Oxy) 		5 LEU A 153
SER A 130
ILE A 229
ALA A 230
THR A 234
 None
 1.13A 3mdtA-1e5iA:
undetectable		 3mdtA-1e5iA:
20.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ecg GLUTAMINE
PHOSPHORIBOSYLPYROPH
OSPHATE
AMIDOTRANSFERASE

(Escherichia
coli) 		PF00156
(Pribosyltran)
PF13522
(GATase_6) 		5 LEU A 213
PHE A 218
ILE A   6
ALA A   7
ALA A 180
 None
 1.18A 3mdtA-1ecgA:
0.0		 3mdtA-1ecgA:
22.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1efv ELECTRON TRANSFER
FLAVOPROTEIN

(Homo sapiens) 		PF00766
(ETF_alpha)
PF01012
(ETF) 		5 LEU A  87
ILE A  25
ALA A 110
THR A  37
ALA A  34
 None
 1.13A 3mdtA-1efvA:
0.0		 3mdtA-1efvA:
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.
1ezf FARNESYL-DIPHOSPHATE
FARNESYLTRANSFERASE

(Homo sapiens) 		PF00494
(SQS_PSY) 		5 ILE A 263
ALA A 266
THR A 214
ALA A 296
THR A 299
 None
 1.21A 3mdtA-1ezfA:
0.0		 3mdtA-1ezfA:
21.68
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.
1fhu O-SUCCINYLBENZOATE
SYNTHASE

(Escherichia
coli) 		PF13378
(MR_MLE_C) 		5 SER A 263
ILE A 277
ALA A 278
THR A 282
ALA A 259
 None
 1.32A 3mdtA-1fhuA:
0.0		 3mdtA-1fhuA:
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.
1g0v PROTEINASE A

(Saccharomyces
cerevisiae) 		PF00026
(Asp) 		5 PHE A 291
ILE A 300
ALA A 299
ALA A 228
THR A 287
 None
 1.24A 3mdtA-1g0vA:
0.0		 3mdtA-1g0vA:
22.51
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.
1iu8 PYRROLIDONE-CARBOXYL
ATE PEPTIDASE

(Pyrococcus
horikoshii) 		PF01470
(Peptidase_C15) 		5 LEU A  64
ALA A 142
THR A 146
ALA A 159
THR A  61
 None
 1.23A 3mdtA-1iu8A:
0.0		 3mdtA-1iu8A:
18.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jmv UNIVERSAL STRESS
PROTEIN A

(Haemophilus
influenzae) 		PF00582
(Usp) 		5 LEU A 105
VAL A 103
ILE A 129
ALA A   8
THR A 108
 None
 1.27A 3mdtA-1jmvA:
undetectable		 3mdtA-1jmvA:
14.44
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.
1ka0 HALOTOLERANCE
PROTEIN HAL2

(Saccharomyces
cerevisiae) 		PF00459
(Inositol_P) 		5 LEU A 340
ILE A 332
ALA A 333
ALA A 276
THR A 233
 None
 1.19A 3mdtA-1ka0A:
undetectable		 3mdtA-1ka0A:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qsa PROTEIN (SOLUBLE
LYTIC
TRANSGLYCOSYLASE
SLT70)

(Escherichia
coli) 		PF01464
(SLT)
PF14718
(SLT_L) 		5 ILE A 191
ALA A 190
THR A 208
ALA A 205
THR A 214
 None
None
None
None
GOL  A 901 (-3.9A)
 1.21A 3mdtA-1qsaA:
undetectable		 3mdtA-1qsaA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r4y RIBONUCLEASE
ALPHA-SARCIN

(Aspergillus
giganteus) 		no annotation 5 LEU A 133
SER A 135
ALA A 106
THR A  85
ALA A  16
 None
 1.26A 3mdtA-1r4yA:
undetectable		 3mdtA-1r4yA:
14.73
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.
1s7h YKOF

(Bacillus
subtilis) 		PF07615
(Ykof) 		5 LEU A  17
SER A  16
THR A  37
ALA A  61
THR A  35
 None
 1.27A 3mdtA-1s7hA:
undetectable		 3mdtA-1s7hA:
16.30
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.
1sy7 CATALASE 1

(Neurospora
crassa) 		PF00199
(Catalase)
PF01965
(DJ-1_PfpI)
PF06628
(Catalase-rel) 		5 PHE A 300
VAL A 104
ILE A 302
THR A 112
ALA A 114
 None
 1.21A 3mdtA-1sy7A:
undetectable		 3mdtA-1sy7A:
19.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1szs 4-AMINOBUTYRATE
AMINOTRANSFERASE

(Escherichia
coli) 		PF00202
(Aminotran_3) 		5 LEU A 225
ILE A 234
ALA A 202
THR A 131
ALA A 133
 None
 1.09A 3mdtA-1szsA:
undetectable		 3mdtA-1szsA:
23.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u3d CRYPTOCHROME 1
APOPROTEIN

(Arabidopsis
thaliana) 		PF00875
(DNA_photolyase)
PF03441
(FAD_binding_7) 		5 LEU A 233
VAL A 287
SER A 286
ILE A 228
ALA A 274
 None
 1.29A 3mdtA-1u3dA:
undetectable		 3mdtA-1u3dA:
22.48
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.
1vhk HYPOTHETICAL PROTEIN
YQEU

(Bacillus
subtilis) 		PF04452
(Methyltrans_RNA) 		5 LEU A  93
VAL A 151
ILE A 135
ALA A 136
ALA A 105
 None
 1.26A 3mdtA-1vhkA:
undetectable		 3mdtA-1vhkA:
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.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		5 LEU A 229
VAL A 242
ILE A 232
ALA A 233
THR A  30
 None
None
None
None
SAM  A3142 (-3.8A)
 1.16A 3mdtA-1wg8A:
undetectable		 3mdtA-1wg8A:
20.59
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.
1woq INORGANIC
POLYPHOSPHATE/ATP-GL
UCOMANNOKINASE

(Arthrobacter
sp. KM) 		PF00480
(ROK) 		5 LEU A 110
VAL A  62
ILE A  24
ALA A 255
THR A  81
 None
 1.29A 3mdtA-1woqA:
undetectable		 3mdtA-1woqA:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA

(Escherichia
coli) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 LEU A1212
PHE A1211
VAL A1204
ALA A1173
THR A1255
 None
 1.29A 3mdtA-2bruA:
undetectable		 3mdtA-2bruA:
23.87
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.
2f6x (S)-3-O-GERANYLGERAN
YLGLYCERYL PHOSPHATE
SYNTHASE

(Archaeoglobus
fulgidus) 		PF01884
(PcrB) 		5 LEU A1050
ALA A1027
THR A1031
ALA A1033
THR A1010
 None
 1.30A 3mdtA-2f6xA:
undetectable		 3mdtA-2f6xA:
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.
2fhp METHYLASE, PUTATIVE

(Enterococcus
faecalis) 		PF03602
(Cons_hypoth95) 		5 LEU A 140
PHE A 114
VAL A 117
ILE A  68
ALA A 100
 None
 1.00A 3mdtA-2fhpA:
undetectable		 3mdtA-2fhpA:
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.
2gvk HEME PEROXIDASE

(Bacteroides
thetaiotaomicron) 		PF04261
(Dyp_perox) 		5 LEU A 127
PHE A 123
ILE A  52
ALA A  50
ALA A  46
 None
 1.22A 3mdtA-2gvkA:
undetectable		 3mdtA-2gvkA:
23.85
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.
2kxr TIGHT JUNCTION
PROTEIN ZO-1

(Homo sapiens) 		PF00791
(ZU5) 		5 LEU A  83
SER A  25
ILE A  41
ALA A  69
THR A  62
 None
 1.29A 3mdtA-2kxrA:
undetectable		 3mdtA-2kxrA:
13.60
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.
2nlz CEPHALOSPORIN
ACYLASE

(Bacillus
halodurans) 		PF01019
(G_glu_transpept) 		5 VAL A  26
ILE A  40
ALA A  50
ALA A  55
THR A  56
 None
 1.07A 3mdtA-2nlzA:
undetectable		 3mdtA-2nlzA:
24.06
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.
2pq0 HYPOTHETICAL
CONSERVED PROTEIN
GK1056

(Geobacillus
kaustophilus) 		PF08282
(Hydrolase_3) 		5 VAL A  63
SER A  64
ILE A  59
ALA A  40
ALA A 204
 None
 1.16A 3mdtA-2pq0A:
undetectable		 3mdtA-2pq0A:
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.
2prr ALKYLHYDROPEROXIDASE
AHPD CORE:
UNCHARACTERIZED
PEROXIDASE-RELATED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF02627
(CMD) 		5 VAL A 140
ILE A 161
ALA A 162
THR A 165
THR A  80
 None
 1.20A 3mdtA-2prrA:
undetectable		 3mdtA-2prrA:
16.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q9g CYTOCHROME P450 46A1

(Homo sapiens) 		PF00067
(p450) 		8 LEU A 112
PHE A 121
VAL A 126
ILE A 301
ALA A 302
THR A 306
ALA A 367
THR A 475
 None
None
HEM  A 505 ( 3.8A)
None
HEM  A 505 (-3.7A)
HEM  A 505 (-3.7A)
HEM  A 505 (-3.5A)
None
 0.59A 3mdtA-2q9gA:
65.4		 3mdtA-2q9gA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2q9g CYTOCHROME P450 46A1

(Homo sapiens) 		PF00067
(p450) 		8 PHE A 121
VAL A 126
SER A 127
ILE A 301
ALA A 302
THR A 306
ALA A 367
THR A 475
 None
HEM  A 505 ( 3.8A)
None
None
HEM  A 505 (-3.7A)
HEM  A 505 (-3.7A)
HEM  A 505 (-3.5A)
None
 0.40A 3mdtA-2q9gA:
65.4		 3mdtA-2q9gA:
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.
2v8p 4-DIPHOSPHOCYTIDYL-2
-C-METHYL-D-ERYTHRIT
OL KINASE

(Aquifex
aeolicus) 		PF00288
(GHMP_kinases_N) 		5 LEU A  14
VAL A 235
ILE A 211
ALA A 212
THR A 171
 None
CL  A1273 (-4.7A)
None
None
CDP  A1269 ( 4.1A)
 1.24A 3mdtA-2v8pA:
undetectable		 3mdtA-2v8pA:
21.63
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.
2xfe CARBOHYDRATE BINDING
MODULE

(Escherichia
coli) 		PF16841
(CBM60) 		5 LEU A  19
VAL A  17
SER A  18
ALA A   8
ALA A  75
 None
 1.29A 3mdtA-2xfeA:
undetectable		 3mdtA-2xfeA:
13.92
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.
2z55 ARCHAERHODOPSIN-2

(Halobacterium
sp. AUS-2) 		PF01036
(Bac_rhodopsin) 		5 VAL A  38
ILE A 234
ALA A  43
ALA A  48
THR A  50
 None
 1.20A 3mdtA-2z55A:
undetectable		 3mdtA-2z55A:
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.
2z6g B-CATENIN

(Danio rerio) 		PF00514
(Arm) 		5 LEU A 261
SER A 221
ILE A 255
ALA A 254
ALA A 238
 None
 1.22A 3mdtA-2z6gA:
undetectable		 3mdtA-2z6gA:
22.21
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.
2zf8 COMPONENT OF
SODIUM-DRIVEN POLAR
FLAGELLAR MOTOR

(Vibrio
alginolyticus) 		PF00691
(OmpA) 		5 LEU A  27
PHE A  39
SER A  40
ILE A 104
ALA A 101
 None
 1.27A 3mdtA-2zf8A:
undetectable		 3mdtA-2zf8A:
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.
2zu0 PROTEIN SUFD

(Escherichia
coli) 		PF01458
(UPF0051) 		5 LEU A  57
SER A  60
THR A 158
ALA A 169
THR A 199
 None
 1.29A 3mdtA-2zu0A:
undetectable		 3mdtA-2zu0A:
22.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a1n NDP-SUGAR EPIMERASE

(Thermoplasma
volcanium) 		PF01370
(Epimerase) 		5 VAL A  48
SER A  49
ILE A  72
ALA A 144
THR A 140
 NAD  A3001 (-4.2A)
NAD  A3001 ( 4.5A)
None
None
None
 1.24A 3mdtA-3a1nA:
undetectable		 3mdtA-3a1nA:
22.99
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.
3ayr ENDOGLUCANASE

(Piromyces
rhizinflatus) 		PF00150
(Cellulase) 		5 LEU A 325
ILE A 356
ALA A 355
ALA A 340
THR A 337
 None
 1.30A 3mdtA-3ayrA:
undetectable		 3mdtA-3ayrA:
22.18
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.
3be5 PUTATIVE IRON
COMPOUND-BINDING
PROTEIN OF ABC
TRANSPORTER FAMILY

(Escherichia
coli) 		PF01497
(Peripla_BP_2) 		5 PHE A 211
VAL A 205
ILE A 306
ALA A 171
THR A 175
 None
 1.24A 3mdtA-3be5A:
undetectable		 3mdtA-3be5A:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bpq ANTITOXIN RELB3
TOXIN RELE3

(Methanocaldococcus
jannaschii) 		PF05016
(ParE_toxin)
no annotation 		5 SER B  62
ALA A  31
THR A  35
ALA B   6
THR B   8
 None
 1.25A 3mdtA-3bpqB:
undetectable		 3mdtA-3bpqB:
13.12
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.
3cbg O-METHYLTRANSFERASE

(Synechocystis
sp. PCC 6803) 		PF01596
(Methyltransf_3) 		5 LEU A 159
PHE A 137
ILE A  89
ALA A 121
THR A 124
 None
None
None
SAH  A 301 (-3.4A)
None
 0.85A 3mdtA-3cbgA:
undetectable		 3mdtA-3cbgA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ddm PUTATIVE MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Bordetella
bronchiseptica) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 124
VAL A  43
ILE A 117
ALA A 116
ALA A  78
 None
 1.20A 3mdtA-3ddmA:
undetectable		 3mdtA-3ddmA:
24.75
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.
3dfi PSEUDOAGLYCONE
DEACETYLASE DBV21

(Actinoplanes
teichomyceticus) 		PF02585
(PIG-L) 		5 VAL A  24
SER A  23
ILE A  13
ALA A  12
ALA A  88
 None
 1.17A 3mdtA-3dfiA:
undetectable		 3mdtA-3dfiA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 VAL A 192
SER A  92
THR A  59
ALA A 178
THR A 182
 None
 1.32A 3mdtA-3dp9A:
undetectable		 3mdtA-3dp9A:
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 LEU A 619
VAL A 676
ALA A 630
THR A 632
ALA A 665
 None
 1.24A 3mdtA-3eqnA:
undetectable		 3mdtA-3eqnA:
19.90
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.
3gc2 O-SUCCINYLBENZOATE
SYNTHASE

(Salmonella
enterica) 		PF13378
(MR_MLE_C) 		5 SER A 263
ILE A 277
ALA A 278
THR A 282
ALA A 259
 SIN  A 400 (-4.9A)
None
None
None
None
 1.26A 3mdtA-3gc2A:
undetectable		 3mdtA-3gc2A:
22.13
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.
3gf7 GLUTACONYL-COA
DECARBOXYLASE
SUBUNIT A

([Clostridium]
symbiosum) 		PF01039
(Carboxyl_trans) 		5 PHE A 268
ILE A 189
ALA A 213
THR A 192
ALA A 254
 None
 1.21A 3mdtA-3gf7A:
undetectable		 3mdtA-3gf7A:
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.
3igh UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Pyrococcus
horikoshii) 		PF07969
(Amidohydro_3) 		5 SER X 225
ILE X 329
ALA X 328
ALA X 320
THR X 317
 None
 1.16A 3mdtA-3ighX:
undetectable		 3mdtA-3ighX:
24.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lov PROTOPORPHYRINOGEN
OXIDASE

(Exiguobacterium
sibiricum) 		PF01593
(Amino_oxidase) 		5 LEU A   6
ALA A  17
THR A  14
ALA A 437
THR A 283
 None
None
FAD  A 500 (-3.5A)
None
None
 1.20A 3mdtA-3lovA:
undetectable		 3mdtA-3lovA:
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.
3mr7 ADENYLATE/GUANYLATE
CYCLASE/HYDROLASE,
ALPHA/BETA FOLD
FAMILY

(Ruegeria
pomeroyi) 		PF00211
(Guanylate_cyc) 		5 LEU A 120
VAL A 135
ILE A   7
ALA A   6
ALA A  71
 None
 1.29A 3mdtA-3mr7A:
undetectable		 3mdtA-3mr7A:
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.
3nz4 PHENYLALANINE
AMMONIA-LYASE

(Taxus
canadensis) 		PF00221
(Lyase_aromatic) 		5 LEU A 159
SER A 161
ALA A 197
ALA A 126
THR A 129
 None
 1.10A 3mdtA-3nz4A:
undetectable		 3mdtA-3nz4A:
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.
3puc TITIN

(Homo sapiens) 		PF07679
(I-set)
PF08884
(Flagellin_D3) 		5 LEU A  13
ILE A   9
ALA A  30
ALA A  38
THR A  80
 None
 1.32A 3mdtA-3pucA:
undetectable		 3mdtA-3pucA:
13.44
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.
3pyz BIFUNCTIONAL
FOLYLPOLYGLUTAMATE
SYNTHASE/DIHYDROFOLA
TE SYNTHASE

(Yersinia pestis) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 PHE A 192
ILE A 166
ALA A 165
THR A 272
ALA A 275
 None
 1.32A 3mdtA-3pyzA:
undetectable		 3mdtA-3pyzA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r3h O-METHYLTRANSFERASE,
SAM-DEPENDENT

(Legionella
pneumophila) 		PF01596
(Methyltransf_3) 		5 LEU A 159
PHE A 137
ILE A  89
ALA A 121
THR A 124
 None
 0.75A 3mdtA-3r3hA:
undetectable		 3mdtA-3r3hA:
20.54
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.
3rc2 SUGAR
3-KETOREDUCTASE

(Actinomadura
kijaniata) 		PF01408
(GFO_IDH_MocA) 		5 LEU A  99
VAL A  14
ILE A  20
ALA A  21
ALA A  28
 None
None
NAP  A 336 (-3.8A)
None
None
 1.27A 3mdtA-3rc2A:
undetectable		 3mdtA-3rc2A:
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.
3slc ACETATE KINASE

(Salmonella
enterica) 		PF00871
(Acetate_kinase) 		5 LEU A  30
PHE A  18
ILE A  44
ALA A  66
THR A  73
 None
 1.28A 3mdtA-3slcA:
undetectable		 3mdtA-3slcA:
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.
3stj PROTEASE DEGQ

(Escherichia
coli) 		PF13180
(PDZ_2)
PF13365
(Trypsin_2) 		5 VAL A  29
SER A  28
ILE A 118
ALA A 102
ALA A 114
 None
 1.32A 3mdtA-3stjA:
undetectable		 3mdtA-3stjA:
22.81
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.
3swd UDP-N-ACETYLGLUCOSAM
INE
1-CARBOXYVINYLTRANSF
ERASE

(Escherichia
coli) 		PF00275
(EPSP_synthase) 		5 LEU A  57
VAL A  50
ILE A  28
ALA A  25
ALA A  92
 None
None
None
None
EPZ  A 501 ( 4.0A)
 1.29A 3mdtA-3swdA:
undetectable		 3mdtA-3swdA:
23.82
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.
3u24 PUTATIVE LIPOPROTEIN

(Shewanella
oneidensis) 		PF05960
(DUF885) 		5 LEU A 241
SER A 239
ILE A 234
ALA A 233
ALA A 174
 None
 1.29A 3mdtA-3u24A:
undetectable		 3mdtA-3u24A:
22.60
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.
3w9h ACRIFLAVINE
RESISTANCE PROTEIN B

(Escherichia
coli) 		PF00873
(ACR_tran) 		5 LEU A 631
VAL A 609
SER A 608
ALA A 651
THR A 648
 None
 1.21A 3mdtA-3w9hA:
undetectable		 3mdtA-3w9hA:
18.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w9i MULTIDRUG RESISTANCE
PROTEIN MEXB

(Pseudomonas
aeruginosa) 		PF00873
(ACR_tran) 		5 LEU A 631
VAL A 609
SER A 608
ALA A 574
ALA A 651
 None
 1.07A 3mdtA-3w9iA:
undetectable		 3mdtA-3w9iA:
17.96
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.
3zig SEPF-LIKE PROTEIN

(Pyrococcus
furiosus) 		PF04472
(SepF) 		5 VAL A 119
ILE A  94
ALA A  95
ALA A 102
THR A 101
 None
 1.25A 3mdtA-3zigA:
undetectable		 3mdtA-3zigA:
12.35
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.
3zuy TRANSPORTER

(Neisseria
meningitidis) 		PF01758
(SBF) 		5 VAL A 131
ILE A  75
ALA A  76
ALA A 244
THR A 247
 None
 1.09A 3mdtA-3zuyA:
undetectable		 3mdtA-3zuyA:
21.20
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.
4a1o BIFUNCTIONAL PURINE
BIOSYNTHESIS PROTEIN
PURH

(Mycobacterium
tuberculosis) 		PF01808
(AICARFT_IMPCHas)
PF02142
(MGS) 		5 LEU A  82
PHE A 103
ILE A  38
THR A  40
THR A  73
 None
None
None
JLN  A1528 (-4.0A)
JLN  A1528 (-2.7A)
 1.31A 3mdtA-4a1oA:
undetectable		 3mdtA-4a1oA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dte SERPIN PEPTIDASE
INHIBITOR, CLADE E
(NEXIN, PLASMINOGEN
ACTIVATOR INHIBITOR
TYPE 1), MEMBER 1

(Danio rerio) 		PF00079
(Serpin) 		5 LEU A 161
ILE A  34
ALA A  35
THR A   8
ALA A 361
 None
 1.19A 3mdtA-4dteA:
undetectable		 3mdtA-4dteA:
22.68
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.
4dvj PUTATIVE
ZINC-DEPENDENT
ALCOHOL
DEHYDROGENASE
PROTEIN

(Rhizobium etli) 		PF08240
(ADH_N)
PF13602
(ADH_zinc_N_2) 		5 VAL A 285
SER A 286
ILE A 256
ALA A 257
ALA A 239
 None
 1.28A 3mdtA-4dvjA:
undetectable		 3mdtA-4dvjA:
21.25
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.
4el1 PROTEIN
DISULFIDE-ISOMERASE

(Homo sapiens) 		PF00085
(Thioredoxin)
PF13848
(Thioredoxin_6) 		5 LEU A 470
PHE A 469
SER A 472
ILE A 455
ALA A 448
 None
 1.26A 3mdtA-4el1A:
undetectable		 3mdtA-4el1A:
22.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f4h GLUTAMINE DEPENDENT
NAD+ SYNTHETASE

(Burkholderia
thailandensis) 		PF00795
(CN_hydrolase)
PF02540
(NAD_synthase) 		5 LEU A 117
SER A 116
ILE A  40
ALA A  41
ALA A  28
 None
 1.32A 3mdtA-4f4hA:
undetectable		 3mdtA-4f4hA:
20.24
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.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63) 		5 SER B 881
ILE B 849
ALA B 846
ALA B 653
THR B 505
 None
 1.18A 3mdtA-4f92B:
undetectable		 3mdtA-4f92B:
14.14
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.
4i6j F-BOX/LRR-REPEAT
PROTEIN 3

(Homo sapiens) 		PF12937
(F-box-like) 		5 LEU B 144
PHE B 115
VAL B 117
ILE B 130
ALA B 126
 None
 1.13A 3mdtA-4i6jB:
undetectable		 3mdtA-4i6jB:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i8q PUTATIVE BETAINE
ALDEHYDE
DEHYROGENASE

(Solanum
lycopersicum) 		PF00171
(Aldedh) 		5 LEU A  92
SER A 107
ILE A 192
ALA A 190
ALA A 168
 None
 1.29A 3mdtA-4i8qA:
undetectable		 3mdtA-4i8qA:
21.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jhz BETA-GLUCURONIDASE

(Escherichia
coli) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N) 		5 LEU A 459
PHE A 460
SER A 457
ILE A 410
ALA A 411
 None
 1.26A 3mdtA-4jhzA:
undetectable		 3mdtA-4jhzA:
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.
4jre NITRITE EXTRUSION
PROTEIN 1

(Escherichia
coli) 		PF07690
(MFS_1) 		5 LEU A  77
PHE A  55
VAL A  58
ILE A 136
THR A 128
 None
 1.27A 3mdtA-4jreA:
undetectable		 3mdtA-4jreA:
22.87
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.
4jx8 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADH] FABI

(Escherichia
coli) 		PF13561
(adh_short_C2) 		5 LEU A 142
VAL A  11
ILE A  20
ALA A  21
ALA A  27
 None
None
NAD  A 302 (-2.9A)
None
None
 1.30A 3mdtA-4jx8A:
undetectable		 3mdtA-4jx8A:
21.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k9q BENZOYLFORMATE
DECARBOXYLASE

(Polynucleobacter
necessarius) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 LEU A 410
SER A  60
ILE A  53
ALA A  54
ALA A  85
 None
 1.21A 3mdtA-4k9qA:
undetectable		 3mdtA-4k9qA:
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.
4kgb SUCCINYL-COA:3-KETOA
CID-COENZYME A
TRANSFERASE

(Drosophila
melanogaster) 		PF01144
(CoA_trans) 		5 LEU A 482
PHE A 502
ILE A 495
ALA A 496
THR A 490
 None
 1.22A 3mdtA-4kgbA:
undetectable		 3mdtA-4kgbA:
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.
4kt1 LEUCINE-RICH
REPEAT-CONTAINING
G-PROTEIN COUPLED
RECEPTOR 4

(Homo sapiens) 		PF01462
(LRRNT)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 394
VAL A 420
ILE A 377
ALA A 408
THR A 384
 None
 1.28A 3mdtA-4kt1A:
undetectable		 3mdtA-4kt1A:
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.
4mud RING OXYDATION
COMPLEX/
PHENYLACETIC ACID
DEGRADATION RELATED
PROTEIN

(Sulfolobus
solfataricus) 		PF05138
(PaaA_PaaC) 		5 PHE A  28
VAL A  94
SER A  95
ALA A 173
ALA A 107
 None
 1.13A 3mdtA-4mudA:
undetectable		 3mdtA-4mudA:
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.
4usf STE20-LIKE
SERINE/THREONINE-PRO
TEIN KINASE

(Homo sapiens) 		PF00069
(Pkinase) 		5 LEU A 221
SER A 220
ILE A 161
ALA A 158
ALA A 229
 None
 1.25A 3mdtA-4usfA:
undetectable		 3mdtA-4usfA:
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.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 5

(Drosophila
melanogaster) 		PF13191
(AAA_16)
PF14630
(ORC5_C) 		5 VAL E 236
SER E 235
ILE E 279
ALA E 280
ALA E 286
 None
 1.27A 3mdtA-4xgcE:
undetectable		 3mdtA-4xgcE:
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.
4yod THIOREDOXIN-LIKE
PROTEIN

(Bacteroides
caccae) 		PF13905
(Thioredoxin_8)
PF17127
(DUF5106) 		5 LEU A 285
PHE A 205
VAL A 238
ILE A 218
ALA A 224
 None
 1.09A 3mdtA-4yodA:
undetectable		 3mdtA-4yodA:
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.
4zxz LEVOGLUCOSAN KINASE

(Lipomyces
starkeyi) 		PF03702
(AnmK) 		6 VAL A 405
SER A 404
ILE A 107
ALA A 109
ALA A 141
THR A 144
 None
 1.25A 3mdtA-4zxzA:
undetectable		 3mdtA-4zxzA:
24.71
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.
5cnl ICML-LIKE

(Legionella
pneumophila) 		PF11393
(T4BSS_DotI_IcmL) 		5 LEU A 149
ILE A  55
ALA A  39
THR A  42
ALA A  89
 None
 1.14A 3mdtA-5cnlA:
undetectable		 3mdtA-5cnlA:
16.21
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.
5djq CBB3-TYPE CYTOCHROME
C OXIDASE SUBUNIT
CCON1

(Pseudomonas
stutzeri) 		PF00115
(COX1) 		5 VAL A  81
SER A  80
ILE A 168
ALA A  95
THR A  98
 None
 1.17A 3mdtA-5djqA:
undetectable		 3mdtA-5djqA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00067
(p450) 		5 ILE A 263
ALA A 264
THR A 268
ALA A 328
THR A 438
 None
HEM  A 501 (-3.6A)
HEM  A 501 (-3.4A)
HEM  A 501 ( 3.8A)
None
 0.79A 3mdtA-5e78A:
43.0		 3mdtA-5e78A:
25.83
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.
5e78 BIFUNCTIONAL
P-450/NADPH-P450
REDUCTASE

(Bacillus
megaterium) 		PF00067
(p450) 		5 LEU A  75
ILE A 263
THR A 268
ALA A 328
THR A 438
 None
None
HEM  A 501 (-3.4A)
HEM  A 501 ( 3.8A)
None
 1.14A 3mdtA-5e78A:
43.0		 3mdtA-5e78A:
25.83
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.
5e7s LON PROTEASE

(Meiothermus
taiwanensis) 		PF05362
(Lon_C) 		5 LEU A 625
ILE A 687
ALA A 686
THR A 682
ALA A 679
 None
 1.32A 3mdtA-5e7sA:
undetectable		 3mdtA-5e7sA:
23.04
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.
5i5p TRAP TRANSPORTER
SOLUTE BINDING
PROTEIN

(uncultured
marine
bacterium) 		PF03480
(DctP) 		5 SER A 231
ILE A 337
ALA A 117
ALA A 146
THR A 236
 None
 1.14A 3mdtA-5i5pA:
undetectable		 3mdtA-5i5pA:
20.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5il7 RAB FAMILY PROTEIN

(Chlorobaculum
tepidum) 		PF12799
(LRR_4)
PF13516
(LRR_6) 		5 LEU A 370
SER A 369
ILE A 342
ALA A 343
ALA A 324
 None
 1.27A 3mdtA-5il7A:
undetectable		 3mdtA-5il7A:
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.
5im3 RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE

(Pseudomonas
aeruginosa) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 LEU A 375
VAL A 581
THR A 902
ALA A 873
THR A 588
 None
 1.28A 3mdtA-5im3A:
undetectable		 3mdtA-5im3A:
18.78
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.
5jnz ALPHA CHAIN

(Acipenser
stellatus) 		PF00042
(Globin) 		5 LEU A 137
SER A  85
ILE A  77
ALA A  80
THR A  69
 None
 1.20A 3mdtA-5jnzA:
undetectable		 3mdtA-5jnzA:
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.
5k1b WD REPEAT-CONTAINING
PROTEIN 48

(Homo sapiens) 		PF00400
(WD40)
PF11816
(DUF3337) 		5 LEU B 433
SER B 421
ILE B 516
THR B 513
ALA B 392
 None
 1.30A 3mdtA-5k1bB:
undetectable		 3mdtA-5k1bB:
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.
5ngy DSR-M GLUCANSUCRASE
INACTIVE MUTANT
E715Q

(Leuconostoc
citreum) 		no annotation 5 PHE A1102
VAL A1175
ILE A1087
ALA A1158
ALA A1164
 None
 1.26A 3mdtA-5ngyA:
undetectable		 3mdtA-5ngyA:
16.37
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.
5wb0 FUSION GLYCOPROTEIN
F0

(Human
metapneumovirus) 		no annotation 5 LEU F 375
SER F 428
ILE F 410
ALA F 415
THR F 419
 None
 1.08A 3mdtA-5wb0F:
undetectable		 3mdtA-5wb0F:
11.97
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.
5wwt PUTATIVE
METHYLTRANSFERASE
NSUN6

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		5 PHE A 290
VAL A 272
ILE A 263
ALA A 264
ALA A 279
 None
 1.27A 3mdtA-5wwtA:
undetectable		 3mdtA-5wwtA:
23.55
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.
5xnp LEUCINE-RICH REPEAT
AND FIBRONECTIN
TYPE-III
DOMAIN-CONTAINING
PROTEIN 5

(Homo sapiens) 		no annotation 5 LEU A 248
PHE A 282
ILE A 277
ALA A 264
THR A 262
 None
 1.28A 3mdtA-5xnpA:
undetectable		 3mdtA-5xnpA:
10.75
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.
5zhz PROBABLE
ENDONUCLEASE 4

(Mycobacterium
tuberculosis) 		no annotation 5 LEU A 161
PHE A 159
ILE A 145
ALA A 139
ALA A 132
 None
 1.17A 3mdtA-5zhzA:
undetectable		 3mdtA-5zhzA:
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.
6b5d MEIOTIC SPINDLE
FORMATION PROTEIN
MEI-1

(Caenorhabditis
elegans) 		no annotation 5 LEU A 205
ILE A 359
ALA A 232
THR A 339
ALA A 337
 None
 1.32A 3mdtA-6b5dA:
undetectable		 3mdtA-6b5dA:
11.66
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.
6guo -

(-) 		no annotation 5 LEU A 185
PHE A 161
VAL A  54
ALA A  66
THR A  69
 None
 1.19A 3mdtA-6guoA:
undetectable		 3mdtA-6guoA:
undetectable