SIMILAR PATTERNS OF AMINO ACIDS FOR 4XP9_C_1WEC706_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.
1a75 PARVALBUMIN

(Merlangius
merlangus) 		PF13499
(EF-hand_7) 		4 PHE A  57
ASP A  51
GLY A  98
SER A  55
 None
CA  A 110 ( 3.1A)
None
CA  A 110 ( 2.4A)
 1.42A 4xp9C-1a75A:
0.0		 4xp9C-1a75A:
12.30
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.
1bu3 CALCIUM-BINDING
PROTEIN

(Merluccius
bilinearis) 		PF13499
(EF-hand_7) 		4 PHE A  57
ASP A  51
GLY A  98
SER A  55
 None
CA  A 109 ( 3.3A)
None
CA  A 109 ( 2.4A)
 1.43A 4xp9C-1bu3A:
undetectable		 4xp9C-1bu3A:
11.79
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.
1c7t BETA-N-ACETYLHEXOSAM
INIDASE

(Serratia
marcescens) 		PF00728
(Glyco_hydro_20)
PF02838
(Glyco_hydro_20b)
PF03173
(CHB_HEX)
PF03174
(CHB_HEX_C) 		4 PHE A 423
ASP A 428
GLY A 422
SER A 425
 None
 1.30A 4xp9C-1c7tA:
0.0		 4xp9C-1c7tA:
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.
1d2f MALY PROTEIN

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 PHE A 235
ASP A 206
GLY A 284
SER A 234
 None
 1.18A 4xp9C-1d2fA:
0.0		 4xp9C-1d2fA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dwa MYROSINASE MA1

(Sinapis alba) 		PF00232
(Glyco_hydro_1) 		4 PHE M  76
ASP M  74
GLY M  45
SER M  77
 None
 1.37A 4xp9C-1dwaM:
0.0		 4xp9C-1dwaM:
20.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e6z CHITINASE B

(Serratia
marcescens) 		PF00704
(Glyco_hydro_18) 		4 PHE A  51
ASP A 140
GLY A  96
SER A  93
 NGO  A 502 (-4.7A)
None
NGO  A 502 ( 3.8A)
None
 1.39A 4xp9C-1e6zA:
0.0		 4xp9C-1e6zA:
21.57
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.
1ewk METABOTROPIC
GLUTAMATE RECEPTOR
SUBTYPE 1

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 PHE A 290
ASP A 318
GLY A 240
SER A 317
 None
GLU  A 701 (-3.0A)
None
None
 1.33A 4xp9C-1ewkA:
0.0		 4xp9C-1ewkA:
21.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1g33 PARVALBUMIN ALPHA

(Rattus
norvegicus) 		PF13499
(EF-hand_7) 		4 PHE A  57
ASP A  51
GLY A  98
SER A  55
 None
CA  A 110 (-3.2A)
SO4  A 200 (-3.0A)
CA  A 110 (-2.5A)
 1.38A 4xp9C-1g33A:
undetectable		 4xp9C-1g33A:
7.76
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.
1itx GLYCOSYL HYDROLASE

(Bacillus
circulans) 		PF00704
(Glyco_hydro_18) 		4 PHE A  77
ASP A 200
GLY A 163
SER A 160
 GOL  A1007 (-4.8A)
None
GOL  A1007 ( 3.9A)
None
 1.26A 4xp9C-1itxA:
0.0		 4xp9C-1itxA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jdz 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		4 PHE A 142
ASP A 232
GLY A 226
SER A 141
 None
 1.20A 4xp9C-1jdzA:
0.0		 4xp9C-1jdzA:
20.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kfw CHITINASE B

(Arthrobacter
sp. TAD20) 		PF00704
(Glyco_hydro_18) 		4 PHE A  55
ASP A 188
GLY A 135
SER A 132
 None
 1.37A 4xp9C-1kfwA:
undetectable		 4xp9C-1kfwA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mg7 EARLY SWITCH PROTEIN
XOL-1 2.2K SPLICE
FORM

(Caenorhabditis
elegans) 		PF09108
(Xol-1_N)
PF09109
(Xol-1_GHMP-like) 		4 PHE A 217
ASP A 126
GLY A 307
SER A 127
 None
 1.45A 4xp9C-1mg7A:
undetectable		 4xp9C-1mg7A:
20.11
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.
1mg7 EARLY SWITCH PROTEIN
XOL-1 2.2K SPLICE
FORM

(Caenorhabditis
elegans) 		PF09108
(Xol-1_N)
PF09109
(Xol-1_GHMP-like) 		4 PHE A 217
ASP A 126
GLY A 308
SER A 127
 None
 1.41A 4xp9C-1mg7A:
undetectable		 4xp9C-1mg7A:
20.11
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.
1mty METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylococcus
capsulatus) 		PF02332
(Phenol_Hydrox) 		4 PHE B  76
ASP D 190
GLY D 195
SER B  82
 None
 1.44A 4xp9C-1mtyB:
0.0		 4xp9C-1mtyB:
20.98
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.
1ru3 ACETYL-COA SYNTHASE

(Carboxydothermus
hydrogenoformans) 		PF03598
(CdhC) 		4 PHE A 232
ASP A 153
GLY A 148
SER A 514
 None
 1.30A 4xp9C-1ru3A:
undetectable		 4xp9C-1ru3A:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1s5t DIHYDRODIPICOLINATE
SYNTHASE

(Escherichia
coli) 		PF00701
(DHDPS) 		4 PHE A 181
ASP A 180
GLY A 159
SER A 178
 None
 1.30A 4xp9C-1s5tA:
undetectable		 4xp9C-1s5tA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		4 PHE A 400
ASP A 335
GLY A 339
SER A 238
 None
 1.28A 4xp9C-1ukcA:
undetectable		 4xp9C-1ukcA:
23.10
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.
1xjt LYSOZYME

(Escherichia
virus P1) 		PF00959
(Phage_lysozyme) 		4 PHE A 106
ASP A 103
GLY A  98
SER A 107
 None
 1.47A 4xp9C-1xjtA:
undetectable		 4xp9C-1xjtA:
13.68
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.
1xju LYSOZYME

(Escherichia
virus P1) 		PF00959
(Phage_lysozyme) 		4 PHE A 106
ASP A 103
GLY A  98
SER A 107
 None
 1.48A 4xp9C-1xjuA:
undetectable		 4xp9C-1xjuA:
13.17
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.
1ysj PROTEIN YXEP

(Bacillus
subtilis) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 PHE A  25
ASP A  75
GLY A 138
SER A  24
 None
 1.39A 4xp9C-1ysjA:
undetectable		 4xp9C-1ysjA:
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.
2d3v LEUKOCYTE
IMMUNOGLOBULIN-LIKE
RECEPTOR SUBFAMILY A
MEMBER 5 ISOFORM 1

(Homo sapiens) 		PF13895
(Ig_2) 		4 PHE A 130
ASP A 128
GLY A 175
SER A 146
 None
 1.23A 4xp9C-2d3vA:
undetectable		 4xp9C-2d3vA:
17.42
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.
2egw UPF0088 PROTEIN
AQ_165

(Aquifex
aeolicus) 		PF04452
(Methyltrans_RNA) 		4 PHE A 190
ASP A 162
GLY A 185
SER A 195
 SAH  A 300 ( 4.6A)
None
SAH  A 300 ( 3.6A)
None
 1.49A 4xp9C-2egwA:
undetectable		 4xp9C-2egwA:
18.75
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.
2kyf PARVALBUMIN, THYMIC
CPV3

(Gallus gallus) 		PF13499
(EF-hand_7) 		4 PHE A  57
ASP A  51
GLY A  98
SER A  55
 None
CA  A 109 (-3.1A)
None
CA  A 109 (-2.7A)
 1.49A 4xp9C-2kyfA:
undetectable		 4xp9C-2kyfA:
9.53
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.
2pal PARVALBUMIN

(Esox lucius) 		PF13499
(EF-hand_7) 		4 PHE A  57
ASP A  51
GLY A  98
SER A  55
 None
MN  A 111 ( 2.9A)
None
MN  A 111 ( 2.3A)
 1.45A 4xp9C-2palA:
undetectable		 4xp9C-2palA:
11.61
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.
2qqp LARGE CAPSID PROTEIN

(Providence
virus) 		PF03566
(Peptidase_A21) 		4 PHE A 104
ASP A 117
GLY A 102
SER A 105
 None
 1.46A 4xp9C-2qqpA:
undetectable		 4xp9C-2qqpA:
20.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rgy TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Paraburkholderia
phymatum) 		PF13377
(Peripla_BP_3) 		4 PHE A  91
ASP A 154
GLY A 123
SER A 152
 None
 1.09A 4xp9C-2rgyA:
undetectable		 4xp9C-2rgyA:
21.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wjs LAMININ SUBUNIT
ALPHA-2

(Mus musculus) 		PF00054
(Laminin_G_1) 		4 PHE A2527
ASP A2702
GLY A2531
SER A2526
 None
 1.17A 4xp9C-2wjsA:
undetectable		 4xp9C-2wjsA:
23.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z65 LYMPHOCYTE ANTIGEN
96
TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF02221
(E1_DerP2_DerF2)
PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8) 		4 PHE A  63
ASP A  84
GLY C 110
SER A  62
 None
 1.38A 4xp9C-2z65A:
undetectable		 4xp9C-2z65A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0f XYLOGLUCANASE

(Geotrichum sp.
M128) 		no annotation 4 PHE A 479
ASP A 483
GLY A 514
SER A 481
 None
 1.48A 4xp9C-3a0fA:
undetectable		 4xp9C-3a0fA:
21.99
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.
3act CELLOBIOSE
PHOSPHORYLASE

(Cellulomonas
gilvus) 		PF06165
(Glyco_transf_36)
PF17167
(Glyco_hydro_36) 		4 PHE A 147
ASP A 208
GLY A 233
SER A 250
 None
 1.32A 4xp9C-3actA:
0.0		 4xp9C-3actA:
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.
3alf CHITINASE, CLASS V

(Nicotiana
tabacum) 		PF00704
(Glyco_hydro_18) 		4 PHE A  31
ASP A 111
GLY A  73
SER A  70
 EDO  A 357 (-4.8A)
None
EDO  A 357 ( 4.2A)
None
 1.31A 4xp9C-3alfA:
undetectable		 4xp9C-3alfA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aqu AT4G19810

(Arabidopsis
thaliana) 		PF00704
(Glyco_hydro_18) 		4 PHE A  32
ASP A 112
GLY A  74
SER A  71
 None
 1.36A 4xp9C-3aquA:
undetectable		 4xp9C-3aquA:
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.
3b2d CD180 ANTIGEN
LYMPHOCYTE ANTIGEN
86

(Homo sapiens) 		PF00560
(LRR_1)
PF02221
(E1_DerP2_DerF2)
PF13855
(LRR_8) 		4 PHE A  62
ASP A  83
GLY C 117
SER A  61
 None
 1.36A 4xp9C-3b2dA:
undetectable		 4xp9C-3b2dA:
22.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bio OXIDOREDUCTASE,
GFO/IDH/MOCA FAMILY

(Porphyromonas
gingivalis) 		PF01408
(GFO_IDH_MocA)
PF16654
(DAPDH_C) 		4 PHE A  93
ASP A  94
GLY A  98
SER A  72
 None
EPE  A1001 (-4.5A)
None
None
 1.16A 4xp9C-3bioA:
undetectable		 4xp9C-3bioA:
21.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ble CITRAMALATE SYNTHASE
FROM LEPTOSPIRA
INTERROGANS

(Leptospira
interrogans) 		PF00682
(HMGL-like) 		4 PHE A 152
ASP A 178
GLY A 191
SER A 149
 None
 1.41A 4xp9C-3bleA:
undetectable		 4xp9C-3bleA:
21.30
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.
3fhg N-GLYCOSYLASE/DNA
LYASE

(Sulfolobus
solfataricus) 		PF00730
(HhH-GPD) 		4 PHE A 140
ASP A 141
GLY A 138
SER A 189
 SO4  A 222 (-4.5A)
GOL  A 212 (-4.3A)
None
SO4  A 222 ( 3.6A)
 1.38A 4xp9C-3fhgA:
undetectable		 4xp9C-3fhgA:
17.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g6l CHITINASE

(Clonostachys
rosea) 		PF00704
(Glyco_hydro_18) 		4 PHE A  74
ASP A 170
GLY A 133
SER A 130
 None
 1.31A 4xp9C-3g6lA:
undetectable		 4xp9C-3g6lA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h8l NADH OXIDASE

(Acidianus
ambivalens) 		PF07992
(Pyr_redox_2) 		4 PHE A 287
ASP A 283
GLY A 270
SER A 310
 None
 1.18A 4xp9C-3h8lA:
undetectable		 4xp9C-3h8lA:
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.
3hp7 HEMOLYSIN, PUTATIVE

(Streptococcus
thermophilus) 		PF01479
(S4)
PF01728
(FtsJ) 		4 PHE A  96
ASP A  88
GLY A  67
SER A 153
 None
 1.46A 4xp9C-3hp7A:
undetectable		 4xp9C-3hp7A:
20.11
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.
3lmd GERANYLGERANYL
PYROPHOSPHATE
SYNTHASE

(Corynebacterium
glutamicum) 		PF00348
(polyprenyl_synt) 		4 PHE A 234
ASP A 238
GLY A 231
SER A  20
 None
 1.45A 4xp9C-3lmdA:
0.2		 4xp9C-3lmdA:
20.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3lmk METABOTROPIC
GLUTAMATE RECEPTOR 5

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 PHE A 277
ASP A 305
GLY A 227
SER A 304
 None
GLU  A 506 (-2.7A)
None
None
 1.39A 4xp9C-3lmkA:
undetectable		 4xp9C-3lmkA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o03 DEHYDROGENASE WITH
DIFFERENT
SPECIFICITIES

(Streptococcus
suis) 		PF13561
(adh_short_C2) 		4 PHE A  43
ASP A  45
GLY A  67
SER A  23
 None
NAP  A 273 (-2.9A)
None
NAP  A 273 (-3.5A)
 1.42A 4xp9C-3o03A:
undetectable		 4xp9C-3o03A:
18.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qok PUTATIVE CHITINASE
II

(Klebsiella
pneumoniae) 		PF00704
(Glyco_hydro_18) 		4 PHE A  58
ASP A 149
GLY A 113
SER A 110
 None
 1.31A 4xp9C-3qokA:
undetectable		 4xp9C-3qokA:
21.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t6q CD180 ANTIGEN
LYMPHOCYTE ANTIGEN
86

(Mus musculus) 		PF02221
(E1_DerP2_DerF2)
PF13855
(LRR_8) 		4 PHE A  62
ASP A  83
GLY C 117
SER A  61
 None
 1.19A 4xp9C-3t6qA:
undetectable		 4xp9C-3t6qA:
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.
3tnd ANTITOXIN VAPB
TRNA(FMET)-SPECIFIC
ENDONUCLEASE VAPC

(Shigella
flexneri) 		PF01850
(PIN)
PF04014
(MazE_antitoxin) 		4 PHE B  60
ASP B  59
GLY A  46
SER B  57
 None
 1.46A 4xp9C-3tndB:
undetectable		 4xp9C-3tndB:
8.76
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.
3wh7 BETA-GLUCOSIDASE

(metagenomes) 		PF00232
(Glyco_hydro_1) 		4 PHE A 376
ASP A 369
GLY A 354
SER A 432
 None
 1.31A 4xp9C-3wh7A:
0.0		 4xp9C-3wh7A:
21.49
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.
4c9e R-SPONDIN-2

(Xenopus
tropicalis) 		PF15913
(Furin-like_2) 		4 PHE B 109
ASP B 108
GLY B 122
SER B 106
 None
 1.42A 4xp9C-4c9eB:
undetectable		 4xp9C-4c9eB:
11.15
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.
4cvm UDP-N-ACETYLMURAMOYL
-TRIPEPTIDE--D-ALANY
L-D- ALANINE LIGASE

(Pseudomonas
aeruginosa) 		PF01225
(Mur_ligase)
PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		4 PHE A  41
ASP A  31
GLY A  51
SER A  29
 UDP  A1452 ( 4.8A)
UDP  A1452 (-3.2A)
UDP  A1452 ( 4.0A)
None
 1.46A 4xp9C-4cvmA:
0.0		 4xp9C-4cvmA:
23.77
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.
4ewt PEPTIDASE,
M20/M25/M40 FAMILY

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 PHE A  31
ASP A  80
GLY A 143
SER A  30
 None
 1.36A 4xp9C-4ewtA:
undetectable		 4xp9C-4ewtA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ewt PEPTIDASE,
M20/M25/M40 FAMILY

(Staphylococcus
aureus) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 PHE A  31
ASP A  80
GLY A 144
SER A  30
 None
 1.42A 4xp9C-4ewtA:
undetectable		 4xp9C-4ewtA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hwe FAB HEAVY CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		4 PHE H 106
ASP H 107
GLY H  36
SER H 105
 None
 1.28A 4xp9C-4hweH:
undetectable		 4xp9C-4hweH:
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.
4hz8 BETA-GLUCOSIDASE

(uncultured
bacterium) 		PF00232
(Glyco_hydro_1) 		4 PHE A 411
ASP A 404
GLY A 389
SER A 467
 None
 1.38A 4xp9C-4hz8A:
0.0		 4xp9C-4hz8A:
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.
4jmd PUTATIVE
UNCHARACTERIZED
PROTEIN MPPR

(Streptomyces
hygroscopicus) 		PF06314
(ADC) 		4 PHE A 182
ASP A 183
GLY A 180
SER A 164
 None
 1.38A 4xp9C-4jmdA:
undetectable		 4xp9C-4jmdA:
20.62
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.
4kq7 HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF11175
(DUF2961) 		4 PHE A 342
ASP A 283
GLY A 256
SER A 345
 None
 1.49A 4xp9C-4kq7A:
undetectable		 4xp9C-4kq7A:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m7e PROTEIN
BRASSINOSTEROID
INSENSITIVE 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF12799
(LRR_4)
PF13516
(LRR_6)
PF13855
(LRR_8) 		4 PHE A 374
ASP A 371
GLY A 620
SER A 348
 None
None
SO4  A 807 ( 4.8A)
None
 1.20A 4xp9C-4m7eA:
undetectable		 4xp9C-4m7eA:
20.75
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.
4mdp BETA-GLUCOSIDASE

(Humicola grisea) 		PF00232
(Glyco_hydro_1) 		4 PHE A 403
ASP A 396
GLY A 379
SER A 461
 None
 1.35A 4xp9C-4mdpA:
0.0		 4xp9C-4mdpA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4txg CHITINASE

(Chromobacterium
violaceum) 		PF00704
(Glyco_hydro_18)
PF06483
(ChiC) 		4 PHE A 190
ASP A 310
GLY A 254
SER A 251
 None
 1.33A 4xp9C-4txgA:
undetectable		 4xp9C-4txgA:
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.
4u8g PUTATIVE
UNCHARACTERIZED
PROTEIN GBS1891

(Streptococcus
agalactiae) 		PF13561
(adh_short_C2) 		4 PHE A  43
ASP A  45
GLY A  67
SER A  23
 None
 1.29A 4xp9C-4u8gA:
undetectable		 4xp9C-4u8gA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uri CHITINASE-RELATED
AGGLUTININ

(Robinia
pseudoacacia) 		PF00704
(Glyco_hydro_18) 		4 PHE A  30
ASP A 112
GLY A  72
SER A  69
 None
None
MPD  A 401 ( 4.6A)
None
 1.33A 4xp9C-4uriA:
undetectable		 4xp9C-4uriA:
23.15
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.
4w5u CHITINASE

(Streptomyces
thermoviolaceus) 		no annotation 4 PHE B  78
ASP B 179
GLY B 141
SER B 138
 None
 1.36A 4xp9C-4w5uB:
undetectable		 4xp9C-4w5uB:
20.71
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4xnu INTEGRAL MEMBRANE
PROTEIN-DOPAMINE
TRANSPORTER

(Drosophila
melanogaster) 		PF00209
(SNF) 		4 PHE A  43
ASP A  46
GLY A 322
SER A 421
 41U  A 605 (-4.2A)
41U  A 605 ( 3.3A)
41U  A 605 ( 4.1A)
NA  A 602 ( 2.4A)
 0.38A 4xp9C-4xnuA:
62.6		 4xp9C-4xnuA:
98.69
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.
4z9x GLUCONATE
5-DEHYDROGENASE

(Streptococcus
pyogenes) 		PF13561
(adh_short_C2) 		4 PHE A  38
ASP A  40
GLY A  62
SER A  18
 None
 1.35A 4xp9C-4z9xA:
undetectable		 4xp9C-4z9xA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c04 PUTATIVE
PEROXIREDOXIN MT2298

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		4 PHE A 107
ASP A  93
GLY A 112
SER A 101
 None
 1.40A 4xp9C-5c04A:
undetectable		 4xp9C-5c04A:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cni METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor) 		4 PHE A 269
ASP A 295
GLY A 220
SER A 294
 None
GGL  A 601 (-3.0A)
None
None
 1.42A 4xp9C-5cniA:
undetectable		 4xp9C-5cniA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5df0 AC-CHIA

(Autographa
californica
multiple
nucleopolyhedrovirus) 		PF00704
(Glyco_hydro_18)
PF08329
(ChitinaseA_N) 		4 PHE A 181
ASP A 301
GLY A 264
SER A 261
 58Y  A 605 (-4.5A)
None
58Y  A 605 ( 4.2A)
None
 1.41A 4xp9C-5df0A:
undetectable		 4xp9C-5df0A:
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.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 4 PHE A 394
ASP A 314
GLY A 380
SER A 328
 None
CU  A 601 (-2.0A)
None
None
 1.33A 4xp9C-5f75A:
undetectable		 4xp9C-5f75A:
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.
5g2v N-ACETYLGLUCOSAMINE-
6-SULFATASE

(Bacteroides
thetaiotaomicron) 		PF00884
(Sulfatase)
PF16347
(DUF4976) 		4 PHE A  95
ASP A  97
GLY A  78
SER A 100
 None
 1.30A 4xp9C-5g2vA:
undetectable		 4xp9C-5g2vA:
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 PHE B1077
ASP B1173
GLY B1137
SER B1134
 None
 1.33A 4xp9C-5gztB:
undetectable		 4xp9C-5gztB:
19.33
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 PHE A 590
ASP A 687
GLY A 651
SER A 648
 None
 1.28A 4xp9C-5gzuA:
undetectable		 4xp9C-5gzuA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		4 PHE A1077
ASP A1173
GLY A1137
SER A1134
 None
 1.35A 4xp9C-5gzuA:
undetectable		 4xp9C-5gzuA:
19.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hy7 PUTATIVE PRE-MRNA
SPLICING PROTEIN

(Chaetomium
thermophilum) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		4 PHE A 623
ASP A 639
GLY A 694
SER A 622
 None
 1.33A 4xp9C-5hy7A:
undetectable		 4xp9C-5hy7A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5i2t PERIODIC TRYPTOPHAN
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 PHE A 433
ASP A 451
GLY A 409
SER A 449
 None
 1.50A 4xp9C-5i2tA:
undetectable		 4xp9C-5i2tA:
23.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jbo BETA-GLUCOSIDASE

(Trichoderma
harzianum) 		PF00232
(Glyco_hydro_1) 		4 PHE A 410
ASP A 403
GLY A 386
SER A 467
 None
 1.42A 4xp9C-5jboA:
0.0		 4xp9C-5jboA:
22.15
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.
5kzn METABOTROPIC
GLUTAMATE RECEPTOR 2

(Homo sapiens) 		PF01094
(ANF_receptor)
PF07562
(NCD3G) 		4 PHE A 269
ASP A 295
GLY A 220
SER A 294
 None
 1.45A 4xp9C-5kznA:
undetectable		 4xp9C-5kznA:
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.
5mog PHYTOENE
DEHYDROGENASE,
CHLOROPLASTIC/CHROMO
PLASTIC

(Oryza sativa) 		PF01593
(Amino_oxidase) 		4 PHE A 204
ASP A 203
GLY A 214
SER A 187
 None
 1.20A 4xp9C-5mogA:
undetectable		 4xp9C-5mogA:
22.83
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.
5n4l CERULOPLASMIN

(Rattus
norvegicus) 		no annotation 4 PHE A 670
ASP A 671
GLY A 668
SER A 636
 None
 1.43A 4xp9C-5n4lA:
undetectable		 4xp9C-5n4lA:
10.98
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.
5oex -

(-) 		no annotation 4 PHE A 394
ASP A 314
GLY A 380
SER A 328
 None
CU  A 601 (-2.1A)
None
None
 1.43A 4xp9C-5oexA:
undetectable		 4xp9C-5oexA:
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.
5pal PARVALBUMIN

(Triakis
semifasciata) 		PF13499
(EF-hand_7) 		4 PHE A  57
ASP A  51
GLY A  98
SER A  55
 None
CA  A 111 ( 3.2A)
None
CA  A 111 ( 2.5A)
 1.47A 4xp9C-5palA:
undetectable		 4xp9C-5palA:
12.58
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.
5th5 7-CARBOXY-7-DEAZAGUA
NINE SYNTHASE

(Bacillus
subtilis) 		PF04055
(Radical_SAM)
PF13394
(Fer4_14) 		4 PHE A 165
ASP A 169
GLY A 190
SER A 132
 None
None
7C5  A 302 ( 3.8A)
None
 1.44A 4xp9C-5th5A:
undetectable		 4xp9C-5th5A:
19.29
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.
5vis DIHYDROPTEROATE
SYNTHASE

(soil metagenome) 		PF00809
(Pterin_bind) 		4 PHE A 183
ASP A 134
GLY A  52
SER A 132
 None
 1.20A 4xp9C-5visA:
undetectable		 4xp9C-5visA:
21.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6bdz DISINTEGRIN AND
METALLOPROTEINASE
DOMAIN-CONTAINING
PROTEIN 10

(Homo sapiens) 		no annotation 4 PHE A 432
ASP A 394
GLY A 386
SER A 433
 None
 1.25A 4xp9C-6bdzA:
undetectable		 4xp9C-6bdzA:
8.90
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.
6bsz METABOTROPIC
GLUTAMATE RECEPTOR 8

(Homo sapiens) 		no annotation 4 PHE A 281
ASP A 309
GLY A 231
SER A 308
 None
GGL  A 601 (-2.8A)
None
None
 1.24A 4xp9C-6bszA:
undetectable		 4xp9C-6bszA:
10.69
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.
6f5d ATP SYNTHASE GAMMA
SUBUNIT

(Trypanosoma
brucei) 		no annotation 4 PHE G 122
ASP G 112
GLY G 125
SER G 115
 None
 1.11A 4xp9C-6f5dG:
undetectable		 4xp9C-6f5dG:
10.98