SIMILAR PATTERNS OF AMINO ACIDS FOR 3HS6_A_EPAA1_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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		9 VAL A 116
VAL A 349
SER A 353
TYR A 355
TYR A 385
TRP A 387
GLY A 526
ALA A 527
LEU A 534
 None
SCL  A 700 ( 4.6A)
None
SCL  A 700 (-4.3A)
None
None
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
OAS  A 530 ( 3.3A)
 0.50A 3hs6A-1ebvA:
57.8		 3hs6A-1ebvA:
63.80
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.
1j1i META CLEAVAGE
COMPOUND HYDROLASE

(Janthinobacterium) 		PF12697
(Abhydrolase_6) 		5 VAL A  58
VAL A 135
ALA A 274
LEU A 276
LEU A 279
 None
 1.05A 3hs6A-1j1iA:
undetectable		 3hs6A-1j1iA:
19.53
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.
1jmy BILE-SALT-ACTIVATED
LIPASE

(Homo sapiens) 		PF00135
(COesterase) 		5 GLY A 197
ALA A 198
SER A 201
LEU A 202
LEU A 205
 None
 0.86A 3hs6A-1jmyA:
0.0		 3hs6A-1jmyA:
20.88
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.
1nlr ENDO-1,4-BETA-GLUCAN
ASE

(Streptomyces
lividans) 		PF01670
(Glyco_hydro_12) 		5 VAL A 180
VAL A 198
VAL A 220
ALA A  85
SER A  87
 None
 1.02A 3hs6A-1nlrA:
0.0		 3hs6A-1nlrA:
15.66
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.
1u60 PROBABLE GLUTAMINASE
YBAS

(Escherichia
coli) 		PF04960
(Glutaminase) 		5 VAL A  52
SER A  54
GLY A 275
ALA A 206
LEU A 220
 None
 1.02A 3hs6A-1u60A:
0.0		 3hs6A-1u60A:
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.
1uiy ENOYL-COA HYDRATASE

(Thermus
thermophilus) 		PF00378
(ECH_1) 		5 VAL A 101
VAL A 106
GLY A 109
ALA A 110
LEU A 114
 None
 1.03A 3hs6A-1uiyA:
0.0		 3hs6A-1uiyA:
18.47
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.
1us2 ENDO-BETA-1,4-XYLANA
SE

(Cellvibrio
japonicus) 		PF00331
(Glyco_hydro_10)
PF03426
(CBM_15) 		5 VAL A 319
TYR A 371
GLY A 295
ALA A 294
LEU A 292
 None
 0.89A 3hs6A-1us2A:
undetectable		 3hs6A-1us2A:
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.
1uvy MYOGLOBIN

(Paramecium
caudatum) 		PF01152
(Bac_globin) 		5 TYR A  20
VAL A  81
GLY A  83
SER A  87
LEU A  89
 None
HEM  A1117 (-4.4A)
None
None
None
 0.98A 3hs6A-1uvyA:
undetectable		 3hs6A-1uvyA:
10.47
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.
1v02 DHURRINASE

(Sorghum bicolor) 		PF00232
(Glyco_hydro_1) 		5 VAL A 212
GLY A 219
SER A 221
LEU A 222
LEU A 349
 None
 1.00A 3hs6A-1v02A:
0.0		 3hs6A-1v02A:
19.66
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.
1vrq SARCOSINE OXIDASE
ALPHA SUBUNIT

(Corynebacterium
sp. U-96) 		PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF12831
(FAD_oxidored)
PF13510
(Fer2_4) 		5 VAL A 721
GLY A 695
ALA A 696
LEU A 700
LEU A 703
 None
None
SO4  A2002 (-2.8A)
None
None
 0.73A 3hs6A-1vrqA:
undetectable		 3hs6A-1vrqA:
20.84
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.
1xi3 THIAMINE PHOSPHATE
PYROPHOSPHORYLASE

(Pyrococcus
furiosus) 		PF02581
(TMP-TENI) 		5 VAL A 150
VAL A 129
GLY A 127
ALA A 126
LEU A 124
 None
 1.01A 3hs6A-1xi3A:
undetectable		 3hs6A-1xi3A:
17.29
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.
1y4c MALTOSE BINDING
PROTEIN FUSED WITH
DESIGNED HELICAL
PROTEIN

(Escherichia
coli) 		PF13416
(SBP_bac_8) 		5 VAL A 343
GLY A 187
ALA A 188
LEU A 192
LEU A 160
 None
 1.06A 3hs6A-1y4cA:
undetectable		 3hs6A-1y4cA:
20.07
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.
1ynq OXIDOREDUCTASE

(Bacillus
halodurans) 		PF00248
(Aldo_ket_red) 		5 VAL A 270
VAL A 195
TYR A  51
GLY A 256
ALA A 255
 None
None
SO4  A 300 ( 4.9A)
SO4  A 300 (-3.8A)
SO4  A 300 (-4.0A)
 1.01A 3hs6A-1ynqA:
undetectable		 3hs6A-1ynqA:
20.44
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.
2bru NAD(P)
TRANSHYDROGENASE
SUBUNIT ALPHA

(Escherichia
coli) 		PF01262
(AlaDh_PNT_C)
PF05222
(AlaDh_PNT_N) 		5 VAL A1143
GLY A1182
ALA A1183
SER A1186
LEU A1187
 None
 0.92A 3hs6A-2bruA:
undetectable		 3hs6A-2bruA:
19.81
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.
2hk7 SHIKIMATE
DEHYDROGENASE

(Aquifex
aeolicus) 		PF01488
(Shikimate_DH)
PF08501
(Shikimate_dh_N) 		5 VAL A 138
TYR A 257
SER A 113
LEU A 114
LEU A 233
 None
 0.96A 3hs6A-2hk7A:
undetectable		 3hs6A-2hk7A:
18.82
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.
2iut DNA TRANSLOCASE FTSK

(Pseudomonas
aeruginosa) 		PF01580
(FtsK_SpoIIIE) 		5 VAL A 701
SER A 697
VAL A 474
ALA A 478
LEU A 484
 None
None
AGS  A1723 (-3.5A)
None
None
 1.01A 3hs6A-2iutA:
undetectable		 3hs6A-2iutA:
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.
2iuu DNA TRANSLOCASE FTSK

(Pseudomonas
aeruginosa) 		PF01580
(FtsK_SpoIIIE) 		5 VAL A 701
SER A 697
VAL A 474
ALA A 478
LEU A 484
 None
None
ADP  A1723 (-3.7A)
None
None
 1.00A 3hs6A-2iuuA:
undetectable		 3hs6A-2iuuA:
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.
2oxl HYPOTHETICAL PROTEIN
YMGB

(Escherichia
coli) 		PF10798
(YmgB) 		5 VAL A  33
GLY A  35
ALA A  37
LEU A  41
LEU A  43
 None
 0.98A 3hs6A-2oxlA:
undetectable		 3hs6A-2oxlA:
6.88
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.
2p6r AFUHEL308 HELICASE

(Archaeoglobus
fulgidus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 VAL A 295
GLY A 298
ALA A 299
SER A 263
LEU A 262
 None
 1.02A 3hs6A-2p6rA:
undetectable		 3hs6A-2p6rA:
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.
2v91 STRICTOSIDINE
SYNTHASE

(Rauvolfia
serpentina) 		PF03088
(Str_synth) 		6 VAL A 248
VAL A 266
SER A 268
GLY A 210
ALA A 224
LEU A 222
 None
None
None
S55  A1334 (-3.5A)
None
None
 1.32A 3hs6A-2v91A:
undetectable		 3hs6A-2v91A:
17.59
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.
2w3g TWO COMPONENT SENSOR
HISTIDINE KINASE
DEVS (GAF FAMILY
PROTEIN)

(Mycobacterium
tuberculosis) 		PF13185
(GAF_2) 		5 VAL A  72
VAL A 200
GLY A 197
ALA A 196
LEU A 192
 None
 1.01A 3hs6A-2w3gA:
undetectable		 3hs6A-2w3gA:
14.21
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.
2wu5 SUCCINATE
DEHYDROGENASE
CYTOCHROME B556
SUBUNIT

(Escherichia
coli) 		PF01127
(Sdh_cyt) 		5 VAL C 128
GLY C 125
ALA C 124
SER C 121
LEU C 120
 None
 0.97A 3hs6A-2wu5C:
undetectable		 3hs6A-2wu5C:
12.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3aam ENDONUCLEASE IV

(Thermus
thermophilus) 		PF01261
(AP_endonuc_2) 		5 VAL A 107
VAL A 117
GLY A 120
ALA A 121
LEU A  94
 None
 1.02A 3hs6A-3aamA:
undetectable		 3hs6A-3aamA:
16.84
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.
3aam ENDONUCLEASE IV

(Thermus
thermophilus) 		PF01261
(AP_endonuc_2) 		5 VAL A 107
VAL A 117
GLY A 120
ALA A 121
LEU A 125
 None
 0.89A 3hs6A-3aamA:
undetectable		 3hs6A-3aamA:
16.84
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.
3cnj CHOLESTEROL OXIDASE

(Streptomyces
sp. SA-COO) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		6 VAL A  15
GLY A  21
ALA A  23
SER A  25
LEU A  27
LEU A  29
 None
FAD  A 510 (-4.2A)
None
None
None
None
 1.16A 3hs6A-3cnjA:
undetectable		 3hs6A-3cnjA:
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.
3csg MALTOSE-BINDING
PROTEIN MONOBODY YS1
FUSION

(Escherichia
coli) 		PF00041
(fn3)
PF13416
(SBP_bac_8) 		5 VAL A 343
GLY A 187
ALA A 188
LEU A 192
LEU A 160
 None
 1.01A 3hs6A-3csgA:
undetectable		 3hs6A-3csgA:
21.98
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.
3dm0 MALTOSE-BINDING
PERIPLASMIC PROTEIN
FUSED WITH RACK1

(Arabidopsis
thaliana;
Escherichia
coli) 		PF00400
(WD40)
PF01547
(SBP_bac_1) 		5 VAL A 343
GLY A 187
ALA A 188
LEU A 192
LEU A 160
 None
 1.04A 3hs6A-3dm0A:
undetectable		 3hs6A-3dm0A:
22.37
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.
3ehs FUSION PROTEIN OF
CRFR1 EXTRACELLULAR
DOMAIN AND MBP

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF13416
(SBP_bac_8) 		5 VAL A  -6
GLY A-162
ALA A-161
LEU A-157
LEU A-189
 None
 1.05A 3hs6A-3ehsA:
undetectable		 3hs6A-3ehsA:
19.97
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.
3f5f MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HEPARAN SULFATE
2-O-SULFOTRANSFERASE
1

(Escherichia
coli;
Gallus gallus) 		PF03567
(Sulfotransfer_2)
PF13416
(SBP_bac_8) 		5 VAL A 343
GLY A 187
ALA A 188
LEU A 192
LEU A 160
 None
 1.03A 3hs6A-3f5fA:
undetectable		 3hs6A-3f5fA:
20.80
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.
3k7y ASPARTATE
AMINOTRANSFERASE

(Plasmodium
falciparum) 		PF00155
(Aminotran_1_2) 		5 VAL A 243
TYR A 286
GLY A 108
ALA A 109
LEU A 113
 None
 0.93A 3hs6A-3k7yA:
undetectable		 3hs6A-3k7yA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3khn MOTB PROTEIN,
PUTATIVE

(Desulfovibrio
vulgaris) 		PF00691
(OmpA) 		5 VAL A 116
VAL A  49
SER A  51
GLY A  65
ALA A  66
 None
 0.99A 3hs6A-3khnA:
undetectable		 3hs6A-3khnA:
15.21
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.
3knz PUTATIVE SUGAR
BINDING PROTEIN

(Salmonella
enterica) 		PF01380
(SIS) 		5 VAL A 219
GLY A 222
ALA A 223
LEU A 227
LEU A 230
 None
 0.65A 3hs6A-3knzA:
0.6		 3hs6A-3knzA:
20.40
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.
3lg5 EPI-ISOZIZAENE
SYNTHASE

(Streptomyces
coelicolor) 		no annotation 5 VAL A 139
GLY A 141
ALA A 143
SER A 145
LEU A 149
 None
 0.94A 3hs6A-3lg5A:
undetectable		 3hs6A-3lg5A:
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.
3o3u MALTOSE-BINDING
PERIPLASMIC PROTEIN,
ADVANCED
GLYCOSYLATION END
PRODUCT-SPECIFIC
RECEPTOR

(Escherichia
coli;
Homo sapiens) 		PF08205
(C2-set_2)
PF13416
(SBP_bac_8) 		5 VAL N 343
GLY N 187
ALA N 188
LEU N 192
LEU N 160
 None
 1.04A 3hs6A-3o3uN:
undetectable		 3hs6A-3o3uN:
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.
3oai MALTOSE-BINDING
PERIPLASMIC PROTEIN,
MYELIN PROTEIN P0

(Escherichia
coli;
Homo sapiens) 		PF07686
(V-set)
PF13416
(SBP_bac_8) 		5 VAL A 343
GLY A 187
ALA A 188
LEU A 192
LEU A 160
 None
 1.04A 3hs6A-3oaiA:
undetectable		 3hs6A-3oaiA:
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.
3osq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Escherichia
coli) 		PF01353
(GFP)
PF01547
(SBP_bac_1)
PF13416
(SBP_bac_8) 		5 VAL A 591
GLY A 435
ALA A 436
LEU A 440
LEU A 160
 None
 1.05A 3hs6A-3osqA:
undetectable		 3hs6A-3osqA:
23.44
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.
3osr MALTOSE-BINDING
PERIPLASMIC
PROTEIN,GREEN
FLUORESCENT PROTEIN

(Aequorea
victoria;
Escherichia
coli) 		PF01353
(GFP)
PF01547
(SBP_bac_1) 		5 VAL A 592
GLY A 187
ALA A 188
LEU A 192
LEU A 160
 None
 1.05A 3hs6A-3osrA:
undetectable		 3hs6A-3osrA:
22.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wd7 TYPE III POLYKETIDE
SYNTHASES ACRIDONE
SYNTHASE

(Citrus x
microcarpa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 SER A  98
GLY A 139
ALA A 140
LEU A 144
LEU A 147
 SER  A  98 ( 0.0A)
GLY  A 139 ( 0.0A)
ALA  A 140 ( 0.0A)
LEU  A 144 ( 0.5A)
LEU  A 147 ( 0.6A)
 1.05A 3hs6A-3wd7A:
undetectable		 3hs6A-3wd7A:
22.38
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.
3wqu CELL DIVISION
PROTEIN FTSA

(Staphylococcus
aureus) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 SER A 326
VAL A 332
GLY A 331
ALA A 260
LEU A 289
 ATP  A 501 (-3.7A)
None
None
None
None
 0.96A 3hs6A-3wquA:
undetectable		 3hs6A-3wquA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wt0 CELL DIVISION
PROTEIN FTSA

(Staphylococcus
aureus) 		PF02491
(SHS2_FTSA)
PF14450
(FtsA) 		5 SER A 326
VAL A 332
GLY A 331
ALA A 260
LEU A 289
 ATP  A 400 (-3.7A)
None
None
None
None
 0.94A 3hs6A-3wt0A:
undetectable		 3hs6A-3wt0A:
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.
4b3n MALTOSE-BINDING
PERIPLASMIC PROTEIN,
TRIPARTITE
MOTIF-CONTAINING
PROTEIN 5

(Escherichia
coli;
Macaca mulatta) 		PF00622
(SPRY)
PF01547
(SBP_bac_1) 		5 VAL A 343
GLY A 187
ALA A 188
LEU A 192
LEU A 160
 None
 1.06A 3hs6A-4b3nA:
undetectable		 3hs6A-4b3nA:
22.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bps FKBO

(Streptomyces
hygroscopicus) 		no annotation 5 VAL A  75
VAL A  54
GLY A  56
ALA A  57
LEU A  39
 None
 0.96A 3hs6A-4bpsA:
undetectable		 3hs6A-4bpsA:
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.
4dnh UNCHARACTERIZED
PROTEIN

(Sinorhizobium
meliloti) 		PF06187
(DUF993) 		5 TYR A 261
GLY A 367
ALA A 366
LEU A 362
LEU A 359
 None
 1.01A 3hs6A-4dnhA:
undetectable		 3hs6A-4dnhA:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dxb MALTOSE-BINDING
PERIPLASMIC PROTEIN,
BETA-LACTAMASE TEM
CHIMERA

(Escherichia
coli) 		PF01547
(SBP_bac_1)
PF13354
(Beta-lactamase2) 		5 VAL A 610
GLY A 187
ALA A 188
LEU A 192
LEU A 160
 None
 1.05A 3hs6A-4dxbA:
0.0		 3hs6A-4dxbA:
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.
4e16 PRECORRIN-4
C(11)-METHYLTRANSFER
ASE

(Clostridioides
difficile) 		PF00590
(TP_methylase) 		5 VAL A 190
GLY A 116
ALA A 117
SER A 120
LEU A 121
 None
 0.96A 3hs6A-4e16A:
undetectable		 3hs6A-4e16A:
17.83
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.
4egc MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HOMEOBOX PROTEIN
SIX1 CHIMERA

(Escherichia
coli;
Homo sapiens) 		PF00046
(Homeobox)
PF13416
(SBP_bac_8)
PF16878
(SIX1_SD) 		5 VAL A 343
GLY A 187
ALA A 188
LEU A 192
LEU A 160
 None
 1.02A 3hs6A-4egcA:
undetectable		 3hs6A-4egcA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4giz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
UBIQUITIN LIGASE
EA6P: CHIMERIC
PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF01547
(SBP_bac_1) 		5 VAL A 344
GLY A 188
ALA A 189
LEU A 193
LEU A 161
 None
 1.02A 3hs6A-4gizA:
undetectable		 3hs6A-4gizA:
20.79
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.
4ifp MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NACHT, LRR
AND PYD
DOMAINS-CONTAINING
PROTEIN 1

(Escherichia
coli;
Homo sapiens) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		5 VAL A 344
GLY A 188
ALA A 189
LEU A 193
LEU A 161
 None
 1.05A 3hs6A-4ifpA:
undetectable		 3hs6A-4ifpA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4irl MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NOVEL PROTEIN
SIMILAR TO
VERTEBRATE GUANYLATE
BINDING PROTEIN
FAMILY

(Danio rerio;
Escherichia
coli) 		PF00619
(CARD)
PF13416
(SBP_bac_8) 		5 VAL A 344
GLY A 188
ALA A 189
LEU A 193
LEU A 161
 None
 1.05A 3hs6A-4irlA:
undetectable		 3hs6A-4irlA:
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.
4j9u TRK SYSTEM POTASSIUM
UPTAKE PROTEIN TRKH

(Vibrio
parahaemolyticus) 		PF02386
(TrkH) 		5 VAL A  79
GLY A  81
ALA A  83
SER A  85
LEU A  89
 None
 0.73A 3hs6A-4j9uA:
2.9		 3hs6A-4j9uA:
21.65
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.
4l6u PUTATIVE
UNCHARACTERIZED
PROTEIN

(Archaeoglobus
fulgidus) 		PF03787
(RAMPs) 		5 VAL A  75
VAL A 125
ALA A 129
SER A 132
LEU A 133
 None
 0.92A 3hs6A-4l6uA:
undetectable		 3hs6A-4l6uA:
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.
4ldz TRANSCRIPTIONAL
REGULATORY PROTEIN
DESR

(Bacillus
subtilis) 		PF00072
(Response_reg)
PF00196
(GerE) 		5 GLY A  15
ALA A  16
SER A  19
LEU A  20
LEU A  23
 None
None
GOL  A 204 (-2.9A)
None
GOL  A 204 ( 4.6A)
 0.61A 3hs6A-4ldzA:
undetectable		 3hs6A-4ldzA:
16.70
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.
4lz6 BH2163 PROTEIN

(Bacillus
halodurans) 		PF01554
(MatE) 		5 VAL A 444
VAL A 377
GLY A 379
ALA A 378
LEU A 437
 None
 1.05A 3hs6A-4lz6A:
0.0		 3hs6A-4lz6A:
21.29
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.
4mkm PUTATIVE SURFACE
ANCHORED PROTEIN

(Clostridium
perfringens) 		no annotation 5 VAL A 294
VAL A 162
GLY A 169
ALA A 175
LEU A 176
 None
 1.05A 3hs6A-4mkmA:
undetectable		 3hs6A-4mkmA:
18.93
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.
4my2 MALTOSE-BINDING
PERIPLASMIC PROTEIN,
NORRIN FUSION
PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF00007
(Cys_knot)
PF13416
(SBP_bac_8) 		5 VAL A 345
GLY A 189
ALA A 190
LEU A 194
LEU A 162
 None
 1.05A 3hs6A-4my2A:
undetectable		 3hs6A-4my2A:
19.74
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.
4nuf MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
NUCLEAR RECEPTOR
SUBFAMILY 0 GROUP B
MEMBER 2 CHIMERIC
CONSTRUCT

(Escherichia
coli;
Mus musculus) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		5 VAL A 345
GLY A 189
ALA A 190
LEU A 194
LEU A 162
 None
 1.00A 3hs6A-4nufA:
undetectable		 3hs6A-4nufA:
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.
4o2x MALTOSE-BINDING
PERIPLASMIC PROTEIN,
ATP-DEPENDENT CLP
PROTEASE ADAPTOR
PROTEIN CLPS
CONTAINING PROTEIN
CHIMERIC CONSTRUCT

(Escherichia
coli;
Plasmodium
falciparum) 		PF02617
(ClpS)
PF13416
(SBP_bac_8) 		5 VAL A 344
GLY A 188
ALA A 189
LEU A 193
LEU A 161
 None
 1.05A 3hs6A-4o2xA:
undetectable		 3hs6A-4o2xA:
21.18
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.
4pe2 MALTOSE ABC
TRANSPORTER
PERIPLASMIC
PROTEIN,PREPILIN-TYP
E N-TERMINAL
CLEAVAGE/METHYLATION
DOMAIN PROTEIN

(Clostridioides
difficile;
Escherichia
coli) 		PF13416
(SBP_bac_8) 		5 VAL A 343
GLY A 187
ALA A 188
LEU A 192
LEU A 160
 None
 1.05A 3hs6A-4pe2A:
undetectable		 3hs6A-4pe2A:
21.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 VAL A 117
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
LEU A 535
 BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
EDO  A 616 ( 4.4A)
 0.37A 3hs6A-4ph9A:
63.3		 3hs6A-4ph9A:
99.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		10 VAL A 117
VAL A 350
SER A 354
TYR A 356
TYR A 386
TRP A 388
VAL A 524
GLY A 527
ALA A 528
SER A 531
 BOG  A 604 (-3.9A)
IBP  A 601 (-4.3A)
None
IBP  A 601 (-4.5A)
IBP  A 601 (-4.8A)
None
IBP  A 601 ( 4.0A)
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
 0.62A 3hs6A-4ph9A:
63.3		 3hs6A-4ph9A:
99.28
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.
4pqk MALTOSE ABC
TRANSPORTER
PERIPLASMIC PROTEIN,
TRUNCATED
REPLICATION PROTEIN
REPA

(Escherichia
coli;
Staphylococcus
aureus) 		PF13416
(SBP_bac_8) 		5 VAL A 344
GLY A 188
ALA A 189
LEU A 193
LEU A 161
 None
 1.04A 3hs6A-4pqkA:
0.8		 3hs6A-4pqkA:
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.
4psw HISTONE
ACETYLTRANSFERASE
TYPE B SUBUNIT 2

(Saccharomyces
cerevisiae) 		PF00400
(WD40)
PF12265
(CAF1C_H4-bd) 		5 VAL B 311
SER B 313
ALA B 258
LEU B 267
LEU B 266
 None
 1.05A 3hs6A-4pswB:
undetectable		 3hs6A-4pswB:
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.
4qsz MALTOSE-BINDING
PERIPLASMIC PROTEIN,
JMJC
DOMAIN-CONTAINING
PROTEIN 7 CHIMERA

(Escherichia
coli;
Mus musculus) 		PF13416
(SBP_bac_8)
PF13621
(Cupin_8) 		5 VAL A -28
GLY A-184
ALA A-183
LEU A-179
LEU A-211
 None
 1.05A 3hs6A-4qszA:
undetectable		 3hs6A-4qszA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4r0m MCYG PROTEIN

(Microcystis
aeruginosa) 		no annotation 5 VAL B 208
GLY B 205
ALA B 204
SER B 201
LEU B 200
 None
 1.02A 3hs6A-4r0mB:
undetectable		 3hs6A-4r0mB:
21.64
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.
4r0y MALTOSE-BINDING
PERIPLASMIC PROTEIN,
DISKS
LARGE-ASSOCIATED
PROTEIN 1

(Escherichia
coli;
Rattus
norvegicus) 		PF03359
(GKAP)
PF13416
(SBP_bac_8) 		5 VAL A 343
GLY A 187
ALA A 188
LEU A 192
LEU A 160
 None
 1.04A 3hs6A-4r0yA:
undetectable		 3hs6A-4r0yA:
20.29
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.
4r10 PROTEIN HUMPBACK-2

(Caenorhabditis
elegans) 		PF00514
(Arm) 		5 SER A 131
VAL A 179
ALA A 183
LEU A 187
LEU A 190
 None
 1.02A 3hs6A-4r10A:
0.6		 3hs6A-4r10A:
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.
4rwf MALTOSE TRANSPORTER
SUBUNIT, RECEPTOR
ACTIVITY-MODIFYING
PROTEIN 2,
CALCITONIN
GENE-RELATED PEPTIDE
TYPE 1 RECEPTOR
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF02793
(HRM)
PF04901
(RAMP)
PF13416
(SBP_bac_8) 		5 VAL A 345
GLY A 189
ALA A 190
LEU A 194
LEU A 162
 None
 1.02A 3hs6A-4rwfA:
undetectable		 3hs6A-4rwfA:
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.
4rxx UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 38

(Homo sapiens) 		no annotation 5 SER A 279
VAL A 326
GLY A 329
ALA A 330
LEU A 334
 None
 0.81A 3hs6A-4rxxA:
1.6		 3hs6A-4rxxA:
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.
4xaj MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NUCLEAR
RECEPTOR SUBFAMILY 2
GROUP E MEMBER 1

(Escherichia
coli;
Homo sapiens) 		PF00104
(Hormone_recep)
PF13416
(SBP_bac_8) 		5 VAL A 345
GLY A 189
ALA A 190
LEU A 194
LEU A 162
 None
 1.03A 3hs6A-4xajA:
undetectable		 3hs6A-4xajA:
21.16
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.
4y4n PUTATIVE RIBOSE
1,5-BISPHOSPHATE
ISOMERASE

(Methanotorris
igneus) 		PF01946
(Thi4) 		5 VAL A 195
TYR A 232
GLY A 192
SER A 185
LEU A 184
 None
 1.01A 3hs6A-4y4nA:
undetectable		 3hs6A-4y4nA:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cfv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,MALTOSE-BIND
ING PERIPLASMIC
PROTEIN,PILA FUSION
PROTEIN

(Acinetobacter
nosocomialis;
Escherichia
coli) 		PF00114
(Pilin)
PF01547
(SBP_bac_1) 		5 VAL A 343
GLY A 187
ALA A 188
LEU A 192
LEU A 160
 None
 1.05A 3hs6A-5cfvA:
undetectable		 3hs6A-5cfvA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d04 PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Neisseria
meningitidis) 		PF00793
(DAHP_synth_1) 		5 VAL C 303
SER C 269
VAL C 283
ALA C 284
LEU C 336
 None
 1.03A 3hs6A-5d04C:
undetectable		 3hs6A-5d04C:
19.47
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.
5dis MALTOSE-BINDING
PERIPLASMIC
PROTEIN,NUCLEAR PORE
COMPLEX PROTEIN
NUP214

(Escherichia
coli;
Homo sapiens) 		PF13416
(SBP_bac_8) 		5 VAL D 343
GLY D 187
ALA D 188
LEU D 192
LEU D 160
 None
 0.99A 3hs6A-5disD:
undetectable		 3hs6A-5disD:
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.
5dnw SHKAI2IB

(Striga
hermonthica) 		PF12697
(Abhydrolase_6) 		5 SER A  97
TYR A  67
GLY A  72
ALA A  74
LEU A  78
 None
 1.03A 3hs6A-5dnwA:
undetectable		 3hs6A-5dnwA:
17.76
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.
5edu MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HISTONE DEACETYLASE
6 CHIMERA

(Escherichia
coli;
Homo sapiens) 		no annotation 5 VAL B 451
GLY B 295
ALA B 296
LEU B 300
LEU B 268
 None
 1.05A 3hs6A-5eduB:
undetectable		 3hs6A-5eduB:
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.
5epf PEROXIREDOXIN

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		5 VAL A  40
TYR A  95
ALA A 149
LEU A 153
LEU A 156
 None
 0.99A 3hs6A-5epfA:
undetectable		 3hs6A-5epfA:
14.41
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.
5fsg MALTOSE-BINDING
PERIPLASMIC PROTEIN,
HANTAVIRUS
NUCLEOPROTEIN

(Hantaan
orthohantavirus) 		PF00846
(Hanta_nucleocap)
PF13416
(SBP_bac_8) 		5 VAL A -29
GLY A-185
ALA A-184
LEU A-180
LEU A-212
 None
 1.01A 3hs6A-5fsgA:
undetectable		 3hs6A-5fsgA:
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.
5gxv MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PIGG

(Escherichia
coli;
Serratia) 		PF13416
(SBP_bac_8) 		5 VAL A 345
GLY A 189
ALA A 190
LEU A 194
LEU A 162
 None
 1.02A 3hs6A-5gxvA:
undetectable		 3hs6A-5gxvA:
19.51
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.
5ha5 BRUCELLA OVIS
OXIDOREDUCTASE

(Brucella ovis) 		PF13561
(adh_short_C2) 		5 VAL A 165
GLY A 168
ALA A 169
SER A 172
LEU A 173
 None
 0.61A 3hs6A-5ha5A:
undetectable		 3hs6A-5ha5A:
18.48
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.
5hz7 COMP

(Neisseria
meningitidis) 		PF13416
(SBP_bac_8)
PF16732
(ComP_DUS) 		5 VAL A 344
GLY A 188
ALA A 189
LEU A 193
LEU A 161
 None
 1.04A 3hs6A-5hz7A:
undetectable		 3hs6A-5hz7A:
20.76
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.
5ii5 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,VITELLINE
ENVELOPE SPERM LYSIN
RECEPTOR

(Escherichia
coli;
Haliotis
rufescens) 		PF11386
(VERL)
PF13416
(SBP_bac_8) 		5 VAL A4010
GLY A3854
ALA A3855
LEU A3859
LEU A3827
 None
 1.05A 3hs6A-5ii5A:
undetectable		 3hs6A-5ii5A:
20.61
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		11 VAL A 116
VAL A 349
SER A 353
TYR A 355
TYR A 385
TRP A 387
VAL A 523
GLY A 526
ALA A 527
SER A 530
LEU A 534
 None
ID8  A 601 (-3.9A)
ID8  A 601 ( 4.7A)
ID8  A 601 (-3.8A)
ID8  A 601 ( 3.5A)
COH  A 602 (-4.5A)
ID8  A 601 (-3.6A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
None
 0.39A 3hs6A-5ikrA:
61.7		 3hs6A-5ikrA:
87.10
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.
5jj4 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,SINGLE-STRAN
DED DNA CYTOSINE
DEAMINASE

(Escherichia
coli;
Homo sapiens) 		no annotation 5 VAL C 343
GLY C 187
ALA C 188
LEU C 192
LEU C 160
 None
 0.99A 3hs6A-5jj4C:
undetectable		 3hs6A-5jj4C:
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.
5jqe SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,CASPASE-8
CHIMERA

(Escherichia
coli) 		PF01335
(DED)
PF13416
(SBP_bac_8) 		5 VAL A 355
GLY A 199
ALA A 200
LEU A 204
LEU A 172
 None
 1.02A 3hs6A-5jqeA:
undetectable		 3hs6A-5jqeA:
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.
5k94 MALTOSE-BINDING
PERIPLASMIC
PROTEIN,PROTEIN
TRANSLOCASE SUBUNIT
SECA,MALTOSE-BINDING
PERIPLASMIC PROTEIN

(Escherichia
coli) 		PF01043
(SecA_PP_bind)
PF01547
(SBP_bac_1)
PF13416
(SBP_bac_8) 		5 VAL A1343
GLY A1187
ALA A1188
LEU A1192
LEU A 160
 None
 1.02A 3hs6A-5k94A:
undetectable		 3hs6A-5k94A:
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.
5kkg ANCMT E72A

(synthetic
construct) 		PF04587
(ADP_PFK_GK) 		5 VAL A 317
GLY A 320
ALA A 321
LEU A 325
LEU A 330
 None
 0.95A 3hs6A-5kkgA:
undetectable		 3hs6A-5kkgA:
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.
5kkg ANCMT E72A

(synthetic
construct) 		PF04587
(ADP_PFK_GK) 		5 VAL A 332
GLY A 439
ALA A 440
SER A 443
LEU A 447
 None
 0.93A 3hs6A-5kkgA:
undetectable		 3hs6A-5kkgA:
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.
5m1t MUCR
PHOSPHODIESTERASE

(Pseudomonas
aeruginosa) 		PF00563
(EAL) 		5 SER A 597
ALA A 570
SER A 573
LEU A 574
LEU A 577
 None
 0.92A 3hs6A-5m1tA:
undetectable		 3hs6A-5m1tA:
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.
5m8j DIVALENT METAL
CATION TRANSPORTER
MNTH

(Eremococcus
coleocola) 		PF01566
(Nramp) 		5 TRP A  55
GLY A 132
ALA A 133
LEU A 137
LEU A 140
 None
 0.80A 3hs6A-5m8jA:
undetectable		 3hs6A-5m8jA:
20.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mu7 COATOMER SUBUNIT
BETA

(Chaetomium
thermophilum) 		PF01602
(Adaptin_N) 		5 VAL A 259
ALA A 263
SER A 266
LEU A 267
LEU A 270
 None
 0.77A 3hs6A-5mu7A:
undetectable		 3hs6A-5mu7A:
22.49
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.
5ode GLL2934 PROTEIN

(Gloeobacter
violaceus) 		no annotation 5 SER A  51
VAL A 294
ALA A 297
LEU A 284
LEU A 287
 FAD  A 400 (-3.2A)
FAD  A 400 (-3.2A)
FAD  A 400 ( 3.5A)
None
None
 1.06A 3hs6A-5odeA:
undetectable		 3hs6A-5odeA:
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.
5osq MALTOSE-BINDING
PERIPLASMIC
PROTEIN,ZONA
PELLUCIDA
SPERM-BINDING
PROTEIN 3

(Escherichia
coli;
Mus musculus) 		PF00100
(Zona_pellucida)
PF13416
(SBP_bac_8) 		5 VAL A 344
GLY A 188
ALA A 189
LEU A 193
LEU A 161
 None
 1.05A 3hs6A-5osqA:
undetectable		 3hs6A-5osqA:
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.
5t03 MALTOSE BINDING
PROTEIN - HEPARAN
SULFATE
6-O-SULFOTRANSFERASE
ISOFORM 3 FUSION
PROTEIN

(Danio rerio;
Escherichia
coli) 		PF03567
(Sulfotransfer_2)
PF13416
(SBP_bac_8) 		5 VAL A 343
GLY A 187
ALA A 188
LEU A 192
LEU A 160
 None
 1.05A 3hs6A-5t03A:
undetectable		 3hs6A-5t03A:
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.
5tj2 SUGAR ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN,GASDERMIN-B
FUSION PROTEIN

(Escherichia
coli;
Homo sapiens) 		PF04598
(Gasdermin)
PF13416
(SBP_bac_8) 		5 VAL A 343
GLY A 187
ALA A 188
LEU A 192
LEU A 160
 None
 1.05A 3hs6A-5tj2A:
undetectable		 3hs6A-5tj2A:
21.96
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.
5v6y MALTOSE-BINDING
PERIPLASMIC
PROTEIN,RECEPTOR
ACTIVITY-MODIFYING
PROTEIN 1,CALCITONIN
GENE-RELATED PEPTIDE
TYPE 1 RECEPTOR

(Escherichia
coli;
Homo sapiens) 		no annotation 5 VAL A 345
GLY A 189
ALA A 190
LEU A 194
LEU A 162
 None
 1.03A 3hs6A-5v6yA:
undetectable		 3hs6A-5v6yA:
9.81
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.
5xtd NADH DEHYDROGENASE
[UBIQUINONE] 1 ALPHA
SUBCOMPLEX SUBUNIT
9, MITOCHONDRIAL

(Homo sapiens) 		PF01370
(Epimerase) 		5 VAL J 126
GLY J 160
ALA J 159
SER J 156
LEU J 155
 None
 0.99A 3hs6A-5xtdJ:
undetectable		 3hs6A-5xtdJ:
19.36
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 VAL A 564
TYR A 581
GLY A 362
ALA A 363
LEU A 370
 None
None
SEB  A 360 ( 4.1A)
SEB  A 360 ( 3.3A)
None
 0.93A 3hs6A-5ydjA:
undetectable		 3hs6A-5ydjA:
9.39
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.
5z0r EXTRACELLULAR
SOLUTE-BINDING
PROTEIN FAMILY
1,VIRAL GENOME
PROTEIN

(Escherichia
coli) 		no annotation 5 VAL A 344
GLY A 188
ALA A 189
LEU A 193
LEU A 161
 None
 1.01A 3hs6A-5z0rA:
undetectable		 3hs6A-5z0rA:
9.79
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.
6apx MALTOSE-BINDING
PERIPLASMIC
PROTEIN,DUAL
SPECIFICITY PROTEIN
PHOSPHATASE 1

(Escherichia
coli;
Homo sapiens) 		no annotation 5 VAL A 343
GLY A 187
ALA A 188
LEU A 192
LEU A 160
 None
 1.03A 3hs6A-6apxA:
undetectable		 3hs6A-6apxA:
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.
6arx ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 VAL A 564
TYR A 581
GLY A 362
ALA A 363
LEU A 370
 None
 0.96A 3hs6A-6arxA:
undetectable		 3hs6A-6arxA:
8.55