SIMILAR PATTERNS OF AMINO ACIDS FOR 3W9T_A_W9TA1004_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.
1cjx 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Pseudomonas
fluorescens) 		PF00903
(Glyoxalase)
PF14696
(Glyoxalase_5) 		4 GLU A 132
GLY A 131
TYR A 137
GLU A  14
 None
 1.44A 3w9tA-1cjxA:
0.0		 3w9tA-1cjxA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dq7 NEUROTOXIN

(Mesobuthus
tamulus) 		PF00537
(Toxin_3) 		4 ASP A   3
GLU A   2
GLY A   1
GLU A  49
 None
 1.37A 3w9tA-1dq7A:
undetectable		 3w9tA-1dq7A:
11.56
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.
1e9y UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 ASP B  77
GLY B 424
TYR B  78
GLU B 427
 None
 0.98A 3w9tA-1e9yB:
0.0		 3w9tA-1e9yB:
22.63
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.
1g82 FIBROBLAST GROWTH
FACTOR 9

(Homo sapiens) 		PF00167
(FGF) 		4 GLU A 123
GLY A 122
TYR A 125
GLU A 133
 None
 1.44A 3w9tA-1g82A:
13.3		 3w9tA-1g82A:
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.
1gdh D-GLYCERATE
DEHYDROGENASE

(Hyphomicrobium
methylovorum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		4 GLU A 143
GLY A 142
TYR A 260
GLU A 122
 None
 1.39A 3w9tA-1gdhA:
0.0		 3w9tA-1gdhA:
23.18
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.
1gm5 RECG

(Thermotoga
maritima) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF17190
(RecG_N)
PF17191
(RecG_wedge) 		4 ASP A 721
GLU A 667
GLY A 670
GLU A 729
 None
 1.41A 3w9tA-1gm5A:
0.0		 3w9tA-1gm5A:
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.
1hcy ARTHROPODAN
HEMOCYANIN

(Panulirus
interruptus) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 GLU A 186
GLY A 185
TYR A 183
GLU A 234
 None
 1.48A 3w9tA-1hcyA:
0.0		 3w9tA-1hcyA:
20.41
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.
1led WEST-CENTRAL AFRICAN
LEGUME LECTIN IV

(Griffonia
simplicifolia) 		PF00139
(Lectin_legB) 		4 ASP A 165
GLY A 194
TYR A 197
GLU A 162
 None
 1.46A 3w9tA-1ledA:
0.0		 3w9tA-1ledA:
19.27
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.
1mhz METHANE
MONOOXYGENASE
HYDROXYLASE

(Methylosinus
trichosporium) 		PF02332
(Phenol_Hydrox) 		4 ASP D 164
GLY D 167
TYR D 162
GLU D 101
 None
 1.49A 3w9tA-1mhzD:
0.0		 3w9tA-1mhzD:
22.64
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.
1nvm 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Pseudomonas sp.
CF600) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		4 ASP A  53
GLY A 323
TYR A  62
GLU A 326
 None
 1.37A 3w9tA-1nvmA:
undetectable		 3w9tA-1nvmA:
21.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oz9 HYPOTHETICAL PROTEIN
AQ_1354

(Aquifex
aeolicus) 		PF02130
(UPF0054) 		4 GLU A  77
GLY A  75
TYR A  81
GLU A  42
 None
 1.37A 3w9tA-1oz9A:
undetectable		 3w9tA-1oz9A:
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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		4 GLU A 763
GLY A 760
TYR A 762
GLU A 863
 None
 1.35A 3w9tA-1s5jA:
undetectable		 3w9tA-1s5jA:
19.91
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.
1t61 TYPE IV COLLAGEN

(Bos taurus) 		PF01413
(C4) 		4 GLU A 152
GLY A 150
TYR A  79
GLU A 175
 None
 1.47A 3w9tA-1t61A:
undetectable		 3w9tA-1t61A:
18.71
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.
1v8c MOAD RELATED PROTEIN

(Thermus
thermophilus) 		PF02597
(ThiS)
PF09189
(DUF1952) 		4 GLU A 113
GLY A 114
TYR A 118
GLU A 102
 None
 1.29A 3w9tA-1v8cA:
undetectable		 3w9tA-1v8cA:
16.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcl HEMOLYTIC LECTIN
CEL-III

(Cucumaria
echinata) 		PF00652
(Ricin_B_lectin) 		4 ASP A 209
GLU A 211
GLY A 212
TYR A 222
 CA  A1004 (-2.6A)
None
CL  A1201 ( 3.7A)
None
 1.31A 3w9tA-1vclA:
36.9		 3w9tA-1vclA:
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.
1vl4 PMBA-RELATED PROTEIN

(Thermotoga
maritima) 		PF01523
(PmbA_TldD) 		4 ASP A 166
GLU A 105
TYR A 107
GLU A 112
 None
 1.47A 3w9tA-1vl4A:
undetectable		 3w9tA-1vl4A:
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.
1wst MULTIPLE SUBSTRATE
AMINOTRANSFERASE

(Thermococcus
profundus) 		PF00155
(Aminotran_1_2) 		4 GLU A 221
GLY A 223
TYR A 100
GLU A 227
 None
 1.43A 3w9tA-1wstA:
undetectable		 3w9tA-1wstA:
19.83
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.
1xhc NADH OXIDASE
/NITRITE REDUCTASE

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2) 		4 ASP A 174
GLU A 318
GLY A 319
GLU A 176
 None
 1.11A 3w9tA-1xhcA:
undetectable		 3w9tA-1xhcA:
20.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y0g PROTEIN YCEI

(Escherichia
coli) 		PF04264
(YceI) 		4 ASP A 180
GLU A 158
GLY A 159
GLU A 178
 None
 1.19A 3w9tA-1y0gA:
undetectable		 3w9tA-1y0gA:
16.82
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.
2bac PUTATIVE
AMINOOXIDASE

(Cutibacterium
acnes) 		PF01593
(Amino_oxidase) 		4 GLU A  57
GLY A  59
TYR A  56
GLU A 364
 None
FAD  A 500 (-3.5A)
None
None
 1.30A 3w9tA-2bacA:
undetectable		 3w9tA-2bacA:
21.76
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.
2boa CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14)
PF02244
(Propep_M14) 		4 GLU A1237
GLY A1235
TYR A1238
GLU A1292
 None
 1.28A 3w9tA-2boaA:
undetectable		 3w9tA-2boaA:
23.12
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.
2cn3 BETA-1,4-XYLOGLUCAN
HYDROLASE

(Ruminiclostridium
thermocellum) 		PF02012
(BNR) 		4 ASP A 600
GLU A 511
GLY A 645
GLU A 647
 None
 1.37A 3w9tA-2cn3A:
undetectable		 3w9tA-2cn3A:
20.52
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.
2e8y AMYX PROTEIN

(Bacillus
subtilis) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		4 ASP A 389
GLU A 105
GLY A 104
TYR A 181
 None
 1.34A 3w9tA-2e8yA:
undetectable		 3w9tA-2e8yA:
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.
2f40 HYPOTHETICAL PROTEIN
PF1455

(Pyrococcus
furiosus) 		PF11491
(DUF3213) 		4 GLU A  13
GLY A  60
TYR A  20
GLU A  56
 None
 1.26A 3w9tA-2f40A:
undetectable		 3w9tA-2f40A:
12.53
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.
2g3w HYPOTHETICAL PROTEIN
XAC2396

(Xanthomonas
citri) 		PF07152
(YaeQ) 		4 GLU A 133
GLY A 109
TYR A 107
GLU A  38
 None
 1.49A 3w9tA-2g3wA:
undetectable		 3w9tA-2g3wA:
18.37
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.
2jnx CALCIUM BINDING
PROTEIN 2

(Entamoeba
histolytica) 		PF13499
(EF-hand_7) 		4 ASP A 117
GLY A 120
TYR A 123
GLU A 128
 CA  A 185 (-3.2A)
None
CA  A 185 (-4.8A)
CA  A 185 (-3.1A)
 1.45A 3w9tA-2jnxA:
undetectable		 3w9tA-2jnxA:
15.57
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.
2p84 ORF041

(Staphylococcus
virus 37) 		PF09643
(YopX) 		4 ASP A 106
GLU A  99
GLY A 104
GLU A  89
 None
 1.30A 3w9tA-2p84A:
undetectable		 3w9tA-2p84A:
15.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pcu CARBOXYPEPTIDASE A4

(Homo sapiens) 		PF00246
(Peptidase_M14) 		4 GLU A 237
GLY A 235
TYR A 238
GLU A 292
 None
 1.32A 3w9tA-2pcuA:
undetectable		 3w9tA-2pcuA:
22.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2q0o PROBABLE
TRANSCRIPTIONAL
REPRESSOR TRAM

(Sinorhizobium
fredii) 		PF09228
(Prok-TraM) 		4 ASP C  90
GLU C  17
TYR C  20
GLU C  87
 None
 1.33A 3w9tA-2q0oC:
undetectable		 3w9tA-2q0oC:
10.65
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.
2q1f CHONDROITINASE

(Bacteroides
thetaiotaomicron) 		PF02278
(Lyase_8)
PF09092
(Lyase_N)
PF09093
(Lyase_catalyt) 		4 GLU A 367
GLY A 368
TYR A 326
GLU A 372
 None
 1.45A 3w9tA-2q1fA:
undetectable		 3w9tA-2q1fA:
17.54
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.
2qmo DETHIOBIOTIN
SYNTHETASE

(Helicobacter
pylori) 		PF13500
(AAA_26) 		4 GLU A  38
GLY A  40
TYR A  75
GLU A  88
 None
 1.35A 3w9tA-2qmoA:
undetectable		 3w9tA-2qmoA:
19.52
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.
2qyt 2-DEHYDROPANTOATE
2-REDUCTASE

(Porphyromonas
gingivalis) 		PF02558
(ApbA)
PF08546
(ApbA_C) 		4 ASP A  92
GLU A  99
GLY A  96
GLU A  94
 None
 1.39A 3w9tA-2qytA:
undetectable		 3w9tA-2qytA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wmo DEDICATOR OF
CYTOKINESIS PROTEIN
9

(Homo sapiens) 		PF06920
(DHR-2) 		4 GLU A 173
GLY A 171
TYR A 174
GLU A 169
 None
 1.20A 3w9tA-2wmoA:
undetectable		 3w9tA-2wmoA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xdd TOXN

(Pectobacterium
atrosepticum) 		PF13958
(ToxN_toxin) 		4 GLU A  41
GLY A  44
TYR A  47
GLU A 154
 None
 1.37A 3w9tA-2xddA:
undetectable		 3w9tA-2xddA:
15.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3b02 TRANSCRIPTIONAL
REGULATOR, CRP
FAMILY

(Thermus
thermophilus) 		PF00027
(cNMP_binding)
PF13545
(HTH_Crp_2) 		4 GLU A  15
GLY A  14
TYR A  11
GLU A  54
 None
 1.18A 3w9tA-3b02A:
undetectable		 3w9tA-3b02A:
15.93
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.
3b13 DEDICATOR OF
CYTOKINESIS PROTEIN
2

(Homo sapiens) 		PF06920
(DHR-2) 		4 ASP A1314
GLU A1316
TYR A1308
GLU A1278
 None
 1.33A 3w9tA-3b13A:
undetectable		 3w9tA-3b13A:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bjs MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Polaromonas sp.
JS666) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 GLU A 286
GLY A 285
TYR A 289
GLU A 293
 MG  A 501 (-2.5A)
None
None
None
 1.41A 3w9tA-3bjsA:
undetectable		 3w9tA-3bjsA:
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.
3dlj BETA-ALA-HIS
DIPEPTIDASE

(Homo sapiens) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		4 ASP A 331
GLU A 327
GLY A 328
GLU A 332
 UNX  A2007 (-2.7A)
None
None
UNX  A2007 (-4.0A)
 1.14A 3w9tA-3dljA:
undetectable		 3w9tA-3dljA:
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.
3egc PUTATIVE RIBOSE
OPERON REPRESSOR

(Burkholderia
thailandensis) 		PF00532
(Peripla_BP_1) 		4 GLU A 135
GLY A 134
TYR A 138
GLU A 112
 None
 1.45A 3w9tA-3egcA:
undetectable		 3w9tA-3egcA:
20.41
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.
3g0k PUTATIVE MEMBRANE
PROTEIN

(Novosphingobium
aromaticivorans) 		PF12680
(SnoaL_2) 		4 ASP A  78
GLU A 104
GLY A 105
GLU A   6
 None
 1.18A 3w9tA-3g0kA:
undetectable		 3w9tA-3g0kA:
14.02
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.
3g3o VACUOLAR TRANSPORTER
CHAPERONE 2

(Saccharomyces
cerevisiae) 		PF09359
(VTC) 		4 ASP A 534
GLU A 465
GLY A 464
TYR A 531
 None
 1.35A 3w9tA-3g3oA:
undetectable		 3w9tA-3g3oA:
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.
3gf8 PUTATIVE
POLYSACCHARIDE
BINDING PROTEINS
(DUF1812)

(Bacteroides
thetaiotaomicron) 		PF08842
(Mfa2) 		4 ASP A  58
GLU A 142
GLY A 105
GLU A  78
 None
 1.41A 3w9tA-3gf8A:
undetectable		 3w9tA-3gf8A:
21.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gmi UPF0348 PROTEIN
MJ0951

(Methanocaldococcus
jannaschii) 		PF05636
(HIGH_NTase1)
PF16581
(HIGH_NTase1_ass) 		4 GLU A 182
GLY A 181
TYR A 166
GLU A 179
 None
 1.40A 3w9tA-3gmiA:
undetectable		 3w9tA-3gmiA:
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.
3hl1 FERRITIN LIKE
PROTEIN

(Caulobacter
vibrioides) 		PF12902
(Ferritin-like) 		4 GLU A 206
GLY A 205
TYR A 147
GLU A  21
 UNL  A 317 (-4.3A)
UNL  A 317 (-3.4A)
None
UNL  A 317 (-2.8A)
 1.33A 3w9tA-3hl1A:
undetectable		 3w9tA-3hl1A:
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.
3hlk ACYL-COENZYME A
THIOESTERASE 2,
MITOCHONDRIAL

(Homo sapiens) 		PF04775
(Bile_Hydr_Trans)
PF08840
(BAAT_C) 		4 GLU A 332
GLY A 331
TYR A 329
GLU A 268
 None
 1.14A 3w9tA-3hlkA:
undetectable		 3w9tA-3hlkA:
20.87
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.
3hn5 PUTATIVE EXPORTED
PROTEIN BF0290

(Bacteroides
fragilis) 		PF12866
(DUF3823) 		4 GLU A  42
GLY A  41
TYR A  39
GLU A 118
 None
 1.33A 3w9tA-3hn5A:
undetectable		 3w9tA-3hn5A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jr1 PUTATIVE
FRUCTOSAMINE-3-KINAS
E

(Histophilus
somni) 		PF03881
(Fructosamin_kin) 		4 GLU A 252
GLY A 249
TYR A 257
GLU A 220
 None
 1.15A 3w9tA-3jr1A:
undetectable		 3w9tA-3jr1A:
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.
3la4 UREASE

(Canavalia
ensiformis) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		4 ASP A 348
GLY A 695
TYR A 349
GLU A 698
 None
 1.04A 3w9tA-3la4A:
undetectable		 3w9tA-3la4A:
19.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mme PG16 HEAVY CHAIN FAB

(Homo sapiens) 		no annotation 4 ASP H 101
GLU H  95
GLY H  97
TYR H 100
 None
 1.44A 3w9tA-3mmeH:
undetectable		 3w9tA-3mmeH:
19.91
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.
3oyo HEMOPEXIN FOLD
PROTEIN CP4

(Vigna
unguiculata) 		PF00045
(Hemopexin) 		4 ASP A 146
GLU A 131
GLY A 129
TYR A 145
 None
 1.27A 3w9tA-3oyoA:
undetectable		 3w9tA-3oyoA:
19.35
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.
3ptw MALONYL COA-ACYL
CARRIER PROTEIN
TRANSACYLASE

(Clostridium
perfringens) 		PF00698
(Acyl_transf_1) 		4 GLU A 233
GLY A 232
TYR A 235
GLU A  94
 None
 0.89A 3w9tA-3ptwA:
undetectable		 3w9tA-3ptwA:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q5p MULTIDRUG-EFFLUX
TRANSPORTER 1
REGULATOR

(Bacillus
subtilis) 		PF06445
(GyrI-like)
PF13411
(MerR_1) 		4 GLU A 145
GLY A 143
TYR A 229
GLU A 253
 None
None
TAC  A7101 (-3.8A)
TAC  A7101 (-4.2A)
 1.49A 3w9tA-3q5pA:
undetectable		 3w9tA-3q5pA:
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.
3qgk UREASE SUBUNIT BETA
2

(Helicobacter
mustelae) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 ASP C  76
GLY C 423
TYR C  77
GLU C 426
 None
 0.94A 3w9tA-3qgkC:
undetectable		 3w9tA-3qgkC:
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.
3tb5 METHIONINE
AMINOPEPTIDASE

(Enterococcus
faecalis) 		PF00557
(Peptidase_M24) 		4 ASP A 105
GLU A 176
GLY A 169
GLU A 201
 CIT  A 265 (-4.2A)
None
None
CIT  A 265 (-2.8A)
 1.22A 3w9tA-3tb5A:
undetectable		 3w9tA-3tb5A:
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.
3us9 SODIUM/CALCIUM
EXCHANGER 1

(Canis lupus) 		PF03160
(Calx-beta) 		4 ASP A 555
GLU A 554
GLY A 550
GLU A 543
 None
 1.42A 3w9tA-3us9A:
undetectable		 3w9tA-3us9A:
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.
3ut3 PLASMINOGEN
ACTIVATOR INHIBITOR
1

(Homo sapiens) 		PF00079
(Serpin) 		4 GLU A  90
GLY A 173
TYR A 170
GLU A 327
 None
 1.38A 3w9tA-3ut3A:
undetectable		 3w9tA-3ut3A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3who GUANYL-SPECIFIC
RIBONUCLEASE PO1

(Pleurotus
ostreatus) 		PF00545
(Ribonuclease) 		4 GLU A  42
GLY A  95
TYR A  38
GLU A  54
 None
 1.36A 3w9tA-3whoA:
undetectable		 3w9tA-3whoA:
13.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4atw ALPHA-L-ARABINOFURAN
OSIDASE DOMAIN
PROTEIN

(Thermotoga
maritima) 		PF06964
(Alpha-L-AF_C) 		4 ASP A 301
GLY A 239
TYR A 297
GLU A 295
 None
 1.41A 3w9tA-4atwA:
undetectable		 3w9tA-4atwA:
21.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bev COPPER EFFLUX ATPASE

(Legionella
pneumophila) 		PF00122
(E1-E2_ATPase)
PF00702
(Hydrolase) 		4 ASP A 553
GLU A 433
GLY A 434
GLU A 279
 None
 1.40A 3w9tA-4bevA:
undetectable		 3w9tA-4bevA:
20.52
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.
4cak INTEGRIN ALPHA-IIB
INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF01839
(FG-GAP)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF08441
(Integrin_alpha2)
PF17205
(PSI_integrin) 		4 GLU B 220
GLY B 221
TYR B 318
GLU A 324
 None
 1.03A 3w9tA-4cakB:
undetectable		 3w9tA-4cakB:
21.67
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.
4e2o ALPHA-AMYLASE

(Geobacillus
thermoleovorans) 		PF00128
(Alpha-amylase) 		4 ASP A 291
GLU A 404
TYR A 290
GLU A 294
 None
 1.38A 3w9tA-4e2oA:
undetectable		 3w9tA-4e2oA:
20.53
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.
4f0q RESTRICTION
ENDONUCLEASE

(Mycobacterium
sp. JLS) 		PF04471
(Mrr_cat) 		4 ASP A  78
GLU A 236
GLY A 235
GLU A 148
 None
 1.02A 3w9tA-4f0qA:
undetectable		 3w9tA-4f0qA:
19.80
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.
4f6c AUSA REDUCTASE
DOMAIN PROTEIN

(Staphylococcus
aureus) 		PF07993
(NAD_binding_4) 		4 ASP A2278
GLY A2238
TYR A2059
GLU A2062
 None
 1.39A 3w9tA-4f6cA:
undetectable		 3w9tA-4f6cA:
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.
4g7e UREASE

(Cajanus cajan) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		4 ASP B 348
GLY B 695
TYR B 349
GLU B 698
 None
 1.01A 3w9tA-4g7eB:
undetectable		 3w9tA-4g7eB:
19.72
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.
4h5b DR_1245 PROTEIN

(Deinococcus
radiodurans) 		PF10722
(YbjN) 		4 GLU A 138
GLY A  42
TYR A 140
GLU A  40
 None
 1.40A 3w9tA-4h5bA:
undetectable		 3w9tA-4h5bA:
15.29
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.
4ixu ARGINASE-2,
MITOCHONDRIAL

(Homo sapiens) 		PF00491
(Arginase) 		4 GLU A 275
GLY A 276
TYR A 278
GLU A 281
 None
 1.49A 3w9tA-4ixuA:
undetectable		 3w9tA-4ixuA:
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.
4lgn CELLULOSE-BINDING,
FAMILY II

(Acidothermus
cellulolyticus) 		no annotation 4 ASP A 576
GLU A 483
GLY A 623
GLU A 625
 None
GOL  A 820 ( 4.5A)
None
None
 1.42A 3w9tA-4lgnA:
undetectable		 3w9tA-4lgnA:
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.
4mlg BETA-XYLOSIDASE

(uncultured
organism) 		PF04616
(Glyco_hydro_43) 		4 GLU A 279
GLY A 282
TYR A 285
GLU A  60
 None
 1.34A 3w9tA-4mlgA:
undetectable		 3w9tA-4mlgA:
23.22
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.
4mln PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 GLU A 141
GLY A 140
TYR A 110
GLU A 146
 None
 1.35A 3w9tA-4mlnA:
undetectable		 3w9tA-4mlnA:
17.82
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.
4n6w PREDICTED HD
PHOSPHOHYDROLASE
PHNZ

(uncultured
bacterium
HF130_AEPn_1) 		PF01966
(HD) 		4 GLU A 141
GLY A 140
TYR A 110
GLU A 146
 None
 1.34A 3w9tA-4n6wA:
undetectable		 3w9tA-4n6wA:
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.
4p2f ADENYLATE CYCLASE

(Mycobacterium
tuberculosis) 		PF00211
(Guanylate_cyc) 		4 ASP A 390
GLU A 404
TYR A 393
GLU A 394
 EDO  A 510 (-4.9A)
None
EDO  A 513 (-4.8A)
None
 1.33A 3w9tA-4p2fA:
undetectable		 3w9tA-4p2fA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pc4 30K LIPOPROTEIN

(Bombyx mori) 		PF03260
(Lipoprotein_11) 		4 GLU A 230
GLY A 229
TYR A 238
GLU A 211
 None
 1.00A 3w9tA-4pc4A:
14.3		 3w9tA-4pc4A:
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		4 ASP A 281
GLY A 674
TYR A 668
GLU A 285
 None
 1.16A 3w9tA-4qmeA:
undetectable		 3w9tA-4qmeA:
18.72
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.
4zey NUCLEAR
RECEPTOR-BINDING
FACTOR 2

(Homo sapiens) 		PF17169
(NRBF2_MIT) 		4 GLU A   5
GLY A   6
TYR A  40
GLU A  43
 None
 1.16A 3w9tA-4zeyA:
undetectable		 3w9tA-4zeyA:
10.58
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.
5a0d SURFACE ANCHORED
PROTEIN

(Clostridium
perfringens) 		PF08341
(TED) 		4 GLU A 202
GLY A 199
TYR A 204
GLU A 242
 None
 1.40A 3w9tA-5a0dA:
undetectable		 3w9tA-5a0dA:
18.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a87 METALLO-BETA-LACTAMA
SE VIM-5

(Klebsiella
pneumoniae) 		PF00753
(Lactamase_B) 		4 ASP A 117
GLU A 146
GLY A 147
GLU A 149
 GOL  A1266 (-3.0A)
None
None
None
 1.43A 3w9tA-5a87A:
undetectable		 3w9tA-5a87A:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d5t UNCHARACTERIZED
PROTEIN MJ0489

(Methanocaldococcus
jannaschii) 		PF06690
(DUF1188) 		4 GLU A  43
GLY A  44
TYR A  69
GLU A  46
 None
 1.29A 3w9tA-5d5tA:
undetectable		 3w9tA-5d5tA:
20.58
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.
5dcf TYROSINE RECOMBINASE
XERD,DNA TRANSLOCASE
FTSK

(Escherichia
coli) 		PF00589
(Phage_integrase)
PF09397
(Ftsk_gamma) 		4 GLU A  10
GLY A 242
TYR A  34
GLU A  31
 None
 1.46A 3w9tA-5dcfA:
undetectable		 3w9tA-5dcfA:
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.
5ec0 ALP7A

(Bacillus
subtilis) 		no annotation 4 GLU A 333
GLY A 330
TYR A 271
GLU A 267
 ADP  A 403 (-4.2A)
ADP  A 403 (-3.0A)
ADP  A 403 (-3.6A)
ADP  A 403 (-3.6A)
 1.14A 3w9tA-5ec0A:
undetectable		 3w9tA-5ec0A:
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.
5epg ALDEHYDE OXIDASE

(Homo sapiens) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		4 GLU A1170
GLY A1006
TYR A 986
GLU A 948
 None
 1.35A 3w9tA-5epgA:
undetectable		 3w9tA-5epgA:
15.70
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.
5fkr ENDO-1,4-BETA-GLUCAN
ASE/XYLOGLUCANASE,
PUTATIVE, GLY74A

(Cellvibrio
japonicus) 		no annotation 4 ASP A 602
GLU A 515
GLY A 647
GLU A 649
 None
 1.38A 3w9tA-5fkrA:
undetectable		 3w9tA-5fkrA:
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.
5fse UREASE SUBUNIT ALPHA

(Sporosarcina
pasteurii) 		PF00449
(Urease_alpha)
PF01979
(Amidohydro_1) 		4 ASP C  78
GLY C 425
TYR C  79
GLU C 428
 None
 0.97A 3w9tA-5fseC:
undetectable		 3w9tA-5fseC:
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.
5gvs PROBABLE
ATP-DEPENDENT RNA
HELICASE DDX41

(Homo sapiens) 		PF00270
(DEAD) 		4 GLU A 256
GLY A 313
TYR A 259
GLU A 247
 None
 1.13A 3w9tA-5gvsA:
undetectable		 3w9tA-5gvsA:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h83 HETEROYOHIMBINE
SYNTHASE HYS

(Catharanthus
roseus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 ASP A  54
GLU A  74
GLY A  72
TYR A  53
 None
ZN  A 901 (-2.9A)
None
None
 1.17A 3w9tA-5h83A:
undetectable		 3w9tA-5h83A:
19.59
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.
5hrj SCAVENGER RECEPTOR
CYSTEINE-RICH TYPE 1
PROTEIN M130

(Sus scrofa) 		PF00530
(SRCR) 		4 ASP A 571
GLU A 534
GLY A 533
GLU A 491
 None
 1.34A 3w9tA-5hrjA:
undetectable		 3w9tA-5hrjA:
12.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j32 3-ISOPROPYLMALATE
DEHYDROGENASE 2,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00180
(Iso_dh) 		4 GLU A  75
GLY A  73
TYR A  43
GLU A 352
 None
 1.26A 3w9tA-5j32A:
undetectable		 3w9tA-5j32A:
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.
5twb FERREDOXIN--NADP
REDUCTASE

(Staphylococcus
aureus) 		PF07992
(Pyr_redox_2) 		4 GLU A  97
GLY A 101
TYR A 104
GLU A  81
 None
 1.50A 3w9tA-5twbA:
undetectable		 3w9tA-5twbA:
21.44
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.
5w1u CARBOXYLIC ESTER
HYDROLASE

(Culex
quinquefasciatus) 		PF00135
(COesterase) 		4 ASP A  72
GLU A 113
GLY A 114
GLU A 119
 None
EPE  A 600 ( 4.9A)
None
None
 1.16A 3w9tA-5w1uA:
undetectable		 3w9tA-5w1uA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		4 GLU A1357
GLY A1354
TYR A1356
GLU A 746
 None
None
G  B  81 ( 3.9A)
None
 1.25A 3w9tA-5xblA:
undetectable		 3w9tA-5xblA:
15.90
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.
5y81 ACTIN-RELATED
PROTEIN 4

(Saccharomyces
cerevisiae) 		no annotation 4 GLU F 474
GLY F 471
TYR F 475
GLU F 130
 None
 1.45A 3w9tA-5y81F:
undetectable		 3w9tA-5y81F:
14.20
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.
5yh3 EXTRACELLULAR
SERINE/THREONINE
PROTEIN KINASE
FAM20C

(Homo sapiens) 		no annotation 4 ASP C 422
GLU C 427
TYR C 425
GLU C 418
 None
 1.45A 3w9tA-5yh3C:
undetectable		 3w9tA-5yh3C:
8.96
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.
5zal ENDORIBONUCLEASE
DICER

(Homo sapiens) 		no annotation 4 ASP A 215
GLY A 212
TYR A 543
GLU A 542
 None
 1.39A 3w9tA-5zalA:
undetectable		 3w9tA-5zalA:
10.61
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.
6ayv FRUCTOSE-1,6-BISPHOS
PHATASE CLASS 2

(Mycobacterium
tuberculosis) 		no annotation 4 ASP A  79
GLU A  51
GLY A  50
GLU A 208
 MG  A 402 (-2.7A)
None
None
F6P  A 401 ( 3.5A)
 1.44A 3w9tA-6ayvA:
undetectable		 3w9tA-6ayvA:
9.65
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.
6eoj POLYADENYLATION
FACTOR SUBUNIT
2,POLYADENYLATION
FACTOR SUBUNIT 2
PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 4 ASP D  64
GLU A 987
GLY A 988
TYR D  61
 None
 1.22A 3w9tA-6eojD:
undetectable		 3w9tA-6eojD:
20.00