SIMILAR PATTERNS OF AMINO ACIDS FOR 5B1B_W_CHDW101

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.
1brt BROMOPEROXIDASE A2

(Kitasatospora
aureofaciens) 		PF00561
(Abhydrolase_1) 		4 ILE A 148
PHE A 144
ARG A 229
LEU A 231
 None
 0.91A 5b1bN-1brtA:
0.0
5b1bW-1brtA:
0.0		 5b1bN-1brtA:
20.34
5b1bW-1brtA:
12.64
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.
1d1j PROFILIN II

(Homo sapiens) 		PF00235
(Profilin) 		4 PHE A  58
ARG A  74
MET A  85
THR A  84
 None
 0.92A 5b1bN-1d1jA:
undetectable
5b1bW-1d1jA:
undetectable		 5b1bN-1d1jA:
15.87
5b1bW-1d1jA:
16.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1flo FLP RECOMBINASE

(Saccharomyces
cerevisiae) 		PF03930
(Flp_N)
PF05202
(Flp_C) 		4 ILE A 350
MET A 311
THR A 312
LEU A 315
 None
 0.77A 5b1bN-1floA:
0.0
5b1bW-1floA:
0.0		 5b1bN-1floA:
21.78
5b1bW-1floA:
9.80
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.
1jhh LEXA REPRESSOR

(Escherichia
coli) 		PF00717
(Peptidase_S24)
PF01726
(LexA_DNA_bind) 		4 ILE A  15
ARG A   7
THR A   5
LEU A   4
 None
 0.87A 5b1bN-1jhhA:
undetectable
5b1bW-1jhhA:
0.0		 5b1bN-1jhhA:
16.33
5b1bW-1jhhA:
13.09
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.
1khc DNA CYTOSINE-5
METHYLTRANSFERASE
3B2

(Mus musculus) 		PF00855
(PWWP) 		4 TYR A 305
ARG A 306
MET A 309
LEU A 313
 None
 0.84A 5b1bN-1khcA:
undetectable
5b1bW-1khcA:
undetectable		 5b1bN-1khcA:
13.81
5b1bW-1khcA:
21.13
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.
1knr L-ASPARTATE OXIDASE

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 ILE A  53
PHE A 104
ARG A 138
THR A 142
LEU A 144
 None
 1.43A 5b1bN-1knrA:
0.0
5b1bW-1knrA:
0.0		 5b1bN-1knrA:
20.83
5b1bW-1knrA:
8.74
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.
1kt8 BRANCHED-CHAIN AMINO
ACID
AMINOTRANSFERASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01063
(Aminotran_4) 		4 ILE A 332
MET A 293
THR A 292
LEU A 235
 None
 0.84A 5b1bN-1kt8A:
0.0
5b1bW-1kt8A:
0.0		 5b1bN-1kt8A:
22.71
5b1bW-1kt8A:
12.03
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.
1l2m REP PROTEIN

(Tomato yellow
leaf curl
Sardinia virus) 		PF00799
(Gemini_AL1) 		4 ILE A   9
PHE A   7
THR A  17
LEU A  16
 None
 0.87A 5b1bN-1l2mA:
undetectable
5b1bW-1l2mA:
0.0		 5b1bN-1l2mA:
10.72
5b1bW-1l2mA:
20.51
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.
1mg1 PROTEIN (HTLV-1 GP21
ECTODOMAIN/MALTOSE-B
INDING PROTEIN
CHIMERA)

(Primate
T-lymphotropic
virus 1) 		PF00429
(TLV_coat)
PF13416
(SBP_bac_8) 		4 ILE A  60
PHE A  62
THR A 287
LEU A 286
 None
 0.92A 5b1bN-1mg1A:
0.0
5b1bW-1mg1A:
2.3		 5b1bN-1mg1A:
20.70
5b1bW-1mg1A:
7.33
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.
1nc7 HYPOTHETICAL PROTEIN
TM1070

(Thermotoga
maritima) 		PF07100
(ASRT) 		4 ILE A  42
PHE A  44
ARG A  67
LEU A  93
 None
 0.86A 5b1bN-1nc7A:
undetectable
5b1bW-1nc7A:
undetectable		 5b1bN-1nc7A:
13.09
5b1bW-1nc7A:
14.71
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.
1odo PUTATIVE CYTOCHROME
P450 154A1

(Streptomyces
coelicolor) 		PF00067
(p450) 		4 PHE A 106
MET A 210
THR A 211
LEU A 214
 HEM  A1407 (-4.5A)
None
None
None
 0.87A 5b1bN-1odoA:
0.0
5b1bW-1odoA:
undetectable		 5b1bN-1odoA:
23.13
5b1bW-1odoA:
9.80
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.
1vqt OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF00215
(OMPdecase) 		4 ILE A 143
ARG A 118
MET A 116
LEU A 112
 None
 0.87A 5b1bN-1vqtA:
0.0
5b1bW-1vqtA:
undetectable		 5b1bN-1vqtA:
17.18
5b1bW-1vqtA:
16.29
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.
1y8q UBIQUITIN-LIKE 2
ACTIVATING ENZYME
E1B

(Homo sapiens) 		PF00899
(ThiF)
PF14732
(UAE_UbL)
PF16195
(UBA2_C) 		4 ILE B 365
PHE B 366
THR B 268
LEU B 267
 None
 0.90A 5b1bN-1y8qB:
2.9
5b1bW-1y8qB:
undetectable		 5b1bN-1y8qB:
21.77
5b1bW-1y8qB:
7.71
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.
2buc DIPEPTIDYL PEPTIDASE
IV

(Sus scrofa) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		4 ILE A 384
ARG A 433
THR A 411
LEU A 410
 None
 0.89A 5b1bN-2bucA:
undetectable
5b1bW-2bucA:
undetectable		 5b1bN-2bucA:
19.97
5b1bW-2bucA:
7.59
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.
2bwg GMP REDUCTASE I

(Homo sapiens) 		PF00478
(IMPDH) 		4 ILE A 154
MET A 113
THR A 114
LEU A 117
 None
 0.92A 5b1bN-2bwgA:
undetectable
5b1bW-2bwgA:
undetectable		 5b1bN-2bwgA:
21.02
5b1bW-2bwgA:
10.16
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.
2d5w PEPTIDE ABC
TRANSPORTER,
PEPTIDE-BINDING
PROTEIN

(Thermus
thermophilus) 		PF00496
(SBP_bac_5) 		4 ILE A  36
ARG A  17
THR A 198
LEU A 202
 None
 0.92A 5b1bN-2d5wA:
2.3
5b1bW-2d5wA:
undetectable		 5b1bN-2d5wA:
20.31
5b1bW-2d5wA:
7.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fdr CONSERVED
HYPOTHETICAL PROTEIN

(Agrobacterium
fabrum) 		PF13419
(HAD_2) 		4 ILE A   7
PHE A   9
ARG A  98
MET A 212
 None
 0.90A 5b1bN-2fdrA:
undetectable
5b1bW-2fdrA:
undetectable		 5b1bN-2fdrA:
19.18
5b1bW-2fdrA:
11.95
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.
2g9b CALBINDIN

(Rattus
norvegicus) 		PF13405
(EF-hand_6)
PF13499
(EF-hand_7) 		5 ILE A 118
PHE A 126
MET A 167
THR A 165
LEU A 164
 None
 1.47A 5b1bN-2g9bA:
2.2
5b1bW-2g9bA:
undetectable		 5b1bN-2g9bA:
16.24
5b1bW-2g9bA:
11.43
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.
2h6o MAJOR OUTER ENVELOPE
GLYCOPROTEIN GP350

(Human
gammaherpesvirus
4) 		PF05109
(Herpes_BLLF1) 		4 PHE A  52
ARG A 107
THR A 105
LEU A 104
 None
 0.79A 5b1bN-2h6oA:
undetectable
5b1bW-2h6oA:
undetectable		 5b1bN-2h6oA:
23.02
5b1bW-2h6oA:
8.98
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.
2p3g MAP KINASE-ACTIVATED
PROTEIN KINASE 2

(Homo sapiens) 		PF00069
(Pkinase) 		4 ILE X 252
MET X 356
THR X 357
LEU X 360
 None
 0.84A 5b1bN-2p3gX:
undetectable
5b1bW-2p3gX:
undetectable		 5b1bN-2p3gX:
19.81
5b1bW-2p3gX:
13.79
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.
2qby CELL DIVISION
CONTROL PROTEIN 6
HOMOLOG 1

(Sulfolobus
solfataricus) 		PF09079
(Cdc6_C)
PF13401
(AAA_22) 		4 ILE A 175
PHE A 177
ARG A 165
LEU A 130
 None
 0.89A 5b1bN-2qbyA:
undetectable
5b1bW-2qbyA:
undetectable		 5b1bN-2qbyA:
20.30
5b1bW-2qbyA:
9.21
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.
2qk4 TRIFUNCTIONAL PURINE
BIOSYNTHETIC PROTEIN
ADENOSINE-3

(Homo sapiens) 		PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N) 		4 ILE A 272
PHE A 203
THR A  16
LEU A  17
 None
 0.86A 5b1bN-2qk4A:
undetectable
5b1bW-2qk4A:
undetectable		 5b1bN-2qk4A:
22.52
5b1bW-2qk4A:
9.84
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.
2uvf EXOPOLYGALACTURONASE

(Yersinia
enterocolitica) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		4 PHE A 347
MET A 334
THR A 335
LEU A 336
 None
 0.91A 5b1bN-2uvfA:
undetectable
5b1bW-2uvfA:
undetectable		 5b1bN-2uvfA:
22.56
5b1bW-2uvfA:
8.13
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		4 ILE A 695
PHE A 728
THR A 757
LEU A 758
 None
 0.92A 5b1bN-2x2iA:
undetectable
5b1bW-2x2iA:
undetectable		 5b1bN-2x2iA:
18.50
5b1bW-2x2iA:
5.19
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.
2y69 CYTOCHROME C OXIDASE
POLYPEPTIDE 7A1

(Bos taurus) 		PF02238
(COX7a) 		5 TYR J  32
ARG J  33
MET J  36
THR J  37
LEU J  40
 None
 0.83A 5b1bN-2y69J:
undetectable
5b1bW-2y69J:
7.9		 5b1bN-2y69J:
10.31
5b1bW-2y69J:
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 ARG A 588
MET A 570
THR A 571
LEU A 572
 None
 0.90A 5b1bN-2yheA:
undetectable
5b1bW-2yheA:
undetectable		 5b1bN-2yheA:
20.41
5b1bW-2yheA:
7.39
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.
2yhe SEC-ALKYL SULFATASE

(Pseudomonas sp.
DSM 6611) 		PF00753
(Lactamase_B)
PF14863
(Alkyl_sulf_dimr)
PF14864
(Alkyl_sulf_C) 		4 ILE A 617
PHE A 646
THR A 606
LEU A 635
 None
 0.83A 5b1bN-2yheA:
undetectable
5b1bW-2yheA:
undetectable		 5b1bN-2yheA:
20.41
5b1bW-2yheA:
7.39
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.
2zgk ANTI-TUMOR LECTIN

(Agrocybe
aegerita) 		PF00337
(Gal-bind_lectin) 		4 ILE A 115
PHE A  93
THR A  46
LEU A  47
 None
 0.92A 5b1bN-2zgkA:
undetectable
5b1bW-2zgkA:
undetectable		 5b1bN-2zgkA:
15.56
5b1bW-2zgkA:
12.75
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.
2ziu MUS81 PROTEIN

(Danio rerio) 		PF02732
(ERCC4) 		4 TYR A 471
MET A 475
THR A 476
LEU A 479
 None
 0.84A 5b1bN-2ziuA:
undetectable
5b1bW-2ziuA:
undetectable		 5b1bN-2ziuA:
18.55
5b1bW-2ziuA:
10.29
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.
2zts PUTATIVE
UNCHARACTERIZED
PROTEIN PH0186

(Pyrococcus
horikoshii) 		PF06745
(ATPase) 		4 ILE A 127
PHE A 123
THR A 178
LEU A 177
 None
 0.67A 5b1bN-2ztsA:
undetectable
5b1bW-2ztsA:
undetectable		 5b1bN-2ztsA:
17.81
5b1bW-2ztsA:
12.50
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.
3b4u DIHYDRODIPICOLINATE
SYNTHASE

(Agrobacterium
fabrum) 		PF00701
(DHDPS) 		4 ILE A  66
ARG A 100
THR A  42
LEU A  43
 None
 0.81A 5b1bN-3b4uA:
undetectable
5b1bW-3b4uA:
undetectable		 5b1bN-3b4uA:
20.99
5b1bW-3b4uA:
13.36
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.
3b57 LIN1889 PROTEIN

(Listeria
innocua) 		PF01966
(HD) 		4 ILE A  30
PHE A  18
THR A  73
LEU A  76
 None
 0.90A 5b1bN-3b57A:
undetectable
5b1bW-3b57A:
undetectable		 5b1bN-3b57A:
16.01
5b1bW-3b57A:
15.62
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.
3b7y E3 UBIQUITIN-PROTEIN
LIGASE NEDD4

(Homo sapiens) 		PF00168
(C2) 		5 PHE A 189
ARG A 124
MET A 248
THR A 249
LEU A 213
 None
 1.39A 5b1bN-3b7yA:
undetectable
5b1bW-3b7yA:
undetectable		 5b1bN-3b7yA:
13.39
5b1bW-3b7yA:
21.80
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.
3b7y E3 UBIQUITIN-PROTEIN
LIGASE NEDD4

(Homo sapiens) 		PF00168
(C2) 		5 PHE A 229
ARG A 124
MET A 248
THR A 249
LEU A 213
 None
 1.47A 5b1bN-3b7yA:
undetectable
5b1bW-3b7yA:
undetectable		 5b1bN-3b7yA:
13.39
5b1bW-3b7yA:
21.80
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.
3c37 PEPTIDASE, M48
FAMILY

(Geobacter
sulfurreducens) 		PF01435
(Peptidase_M48) 		4 PHE A 149
ARG A 118
MET A 120
THR A 121
 None
 0.89A 5b1bN-3c37A:
undetectable
5b1bW-3c37A:
undetectable		 5b1bN-3c37A:
19.53
5b1bW-3c37A:
16.16
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.
3dy5 ALLENE OXIDE
SYNTHASE-LIPOXYGENAS
E PROTEIN

(Plexaura
homomalla) 		PF00305
(Lipoxygenase)
PF01477
(PLAT) 		4 ILE A 462
ARG A 397
THR A 395
LEU A 410
 None
 0.85A 5b1bN-3dy5A:
undetectable
5b1bW-3dy5A:
undetectable		 5b1bN-3dy5A:
17.95
5b1bW-3dy5A:
4.87
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.
3e0s UNCHARACTERIZED
PROTEIN

(Chlorobaculum
tepidum) 		PF05235
(CHAD) 		4 PHE A 255
TYR A 347
MET A 351
THR A 352
 None
 0.92A 5b1bN-3e0sA:
2.9
5b1bW-3e0sA:
undetectable		 5b1bN-3e0sA:
19.13
5b1bW-3e0sA:
10.43
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.
3fss HISTONE CHAPERONE
RTT106

(Saccharomyces
cerevisiae) 		PF08512
(Rtt106) 		4 ILE A 200
MET A 158
THR A 159
LEU A 160
 None
 0.92A 5b1bN-3fssA:
undetectable
5b1bW-3fssA:
undetectable		 5b1bN-3fssA:
19.04
5b1bW-3fssA:
13.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gju PUTATIVE
AMINOTRANSFERASE

(Mesorhizobium
japonicum) 		PF00202
(Aminotran_3) 		4 ILE A 131
MET A 159
THR A 160
LEU A 163
 None
 0.86A 5b1bN-3gjuA:
undetectable
5b1bW-3gjuA:
undetectable		 5b1bN-3gjuA:
22.26
5b1bW-3gjuA:
9.55
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.
3h7a SHORT CHAIN
DEHYDROGENASE

(Rhodopseudomonas
palustris) 		PF00106
(adh_short) 		4 ILE A 135
PHE A 137
THR A  70
LEU A  73
 ILE  A 135 ( 0.6A)
PHE  A 137 ( 1.3A)
THR  A  70 ( 0.8A)
LEU  A  73 ( 0.5A)
 0.86A 5b1bN-3h7aA:
undetectable
5b1bW-3h7aA:
undetectable		 5b1bN-3h7aA:
18.89
5b1bW-3h7aA:
11.90
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.
3h7n NUCLEOPORIN NUP120

(Saccharomyces
cerevisiae) 		PF11715
(Nup160) 		4 ILE A  95
PHE A  81
THR A 109
LEU A 108
 None
 0.91A 5b1bN-3h7nA:
4.6
5b1bW-3h7nA:
undetectable		 5b1bN-3h7nA:
21.45
5b1bW-3h7nA:
7.18
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.
3hn5 PUTATIVE EXPORTED
PROTEIN BF0290

(Bacteroides
fragilis) 		PF12866
(DUF3823) 		4 ILE A 105
ARG A  36
THR A  34
LEU A  33
 None
 0.91A 5b1bN-3hn5A:
undetectable
5b1bW-3hn5A:
undetectable		 5b1bN-3hn5A:
17.12
5b1bW-3hn5A:
14.42
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.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		4 ARG A 407
MET A 410
THR A 411
LEU A 414
 None
 0.54A 5b1bN-3k13A:
undetectable
5b1bW-3k13A:
undetectable		 5b1bN-3k13A:
20.20
5b1bW-3k13A:
11.46
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.
3kuq RHO
GTPASE-ACTIVATING
PROTEIN 7

(Homo sapiens) 		PF00620
(RhoGAP) 		4 ILE A1186
PHE A1170
ARG A1198
LEU A1205
 None
 0.75A 5b1bN-3kuqA:
undetectable
5b1bW-3kuqA:
undetectable		 5b1bN-3kuqA:
17.51
5b1bW-3kuqA:
14.54
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.
3kyj CHEY6 PROTEIN

(Rhodobacter
sphaeroides) 		PF00072
(Response_reg) 		4 ILE B   7
MET B 128
THR B 127
LEU B 124
 None
 0.91A 5b1bN-3kyjB:
undetectable
5b1bW-3kyjB:
undetectable		 5b1bN-3kyjB:
15.09
5b1bW-3kyjB:
18.46
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.
3lax PHENYLACETATE-COENZY
ME A LIGASE

(Bacteroides
vulgatus) 		PF14535
(AMP-binding_C_2) 		4 ILE A 358
ARG A 406
THR A 394
LEU A 397
 None
 0.89A 5b1bN-3laxA:
undetectable
5b1bW-3laxA:
undetectable		 5b1bN-3laxA:
11.47
5b1bW-3laxA:
19.15
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.
3m62 UBIQUITIN
CONJUGATION FACTOR
E4

(Saccharomyces
cerevisiae) 		PF04564
(U-box)
PF10408
(Ufd2P_core) 		4 ILE A 337
PHE A 326
THR A 391
LEU A 390
 None
 0.91A 5b1bN-3m62A:
3.6
5b1bW-3m62A:
undetectable		 5b1bN-3m62A:
18.07
5b1bW-3m62A:
4.39
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.
3muu STRUCTURAL
POLYPROTEIN

(Sindbis virus) 		PF00943
(Alpha_E2_glycop)
PF01589
(Alpha_E1_glycop) 		4 ILE A 283
ARG A 298
THR A 296
LEU A 295
 None
 0.91A 5b1bN-3muuA:
undetectable
5b1bW-3muuA:
undetectable		 5b1bN-3muuA:
21.45
5b1bW-3muuA:
6.16
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.
3owt DNA-BINDING PROTEIN
RAP1

(Saccharomyces
cerevisiae) 		PF11626
(Rap1_C) 		4 ILE A 746
PHE A 769
THR A 756
LEU A 755
 None
 0.84A 5b1bN-3owtA:
undetectable
5b1bW-3owtA:
undetectable		 5b1bN-3owtA:
13.87
5b1bW-3owtA:
15.83
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.
3uv0 MUTATOR 2, ISOFORM B

(Drosophila
melanogaster) 		no annotation 4 ILE A  24
PHE A  89
ARG A  55
LEU A  16
 None
 0.81A 5b1bN-3uv0A:
undetectable
5b1bW-3uv0A:
undetectable		 5b1bN-3uv0A:
10.43
5b1bW-3uv0A:
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.
3we7 PUTATIVE
UNCHARACTERIZED
PROTEIN PH0499

(Pyrococcus
horikoshii) 		PF02585
(PIG-L) 		4 ILE A 192
ARG A 125
THR A 129
LEU A 132
 None
 0.81A 5b1bN-3we7A:
undetectable
5b1bW-3we7A:
undetectable		 5b1bN-3we7A:
18.46
5b1bW-3we7A:
14.11
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.
3zxs CRYPTOCHROME B

(Rhodobacter
sphaeroides) 		PF04244
(DPRP) 		5 PHE A 498
TYR A 439
ARG A 343
MET A 344
LEU A 347
 None
None
None
SF4  A1510 (-4.5A)
None
 1.30A 5b1bN-3zxsA:
undetectable
5b1bW-3zxsA:
undetectable		 5b1bN-3zxsA:
22.32
5b1bW-3zxsA:
8.48
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.
4a3x EPA1P

([Candida]
glabrata) 		PF10528
(GLEYA) 		4 PHE A 111
MET A 138
THR A 137
LEU A 136
 None
 0.84A 5b1bN-4a3xA:
undetectable
5b1bW-4a3xA:
undetectable		 5b1bN-4a3xA:
17.93
5b1bW-4a3xA:
11.31
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.
4bfr PHOSPHATIDYLINOSITOL
4,5-BISPHOSPHATE
3-KINASE CATALYTIC S
SUBUNIT BETA ISOFORM

(Mus musculus) 		PF00454
(PI3_PI4_kinase)
PF00613
(PI3Ka)
PF00792
(PI3K_C2)
PF00794
(PI3K_rbd) 		4 ILE A 329
PHE A 489
ARG A 393
LEU A 388
 None
 0.92A 5b1bN-4bfrA:
undetectable
5b1bW-4bfrA:
undetectable		 5b1bN-4bfrA:
18.38
5b1bW-4bfrA:
4.75
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.
4bjt DNA-BINDING PROTEIN
RAP1

(Saccharomyces
cerevisiae) 		PF11626
(Rap1_C) 		4 ILE A 746
PHE A 769
THR A 756
LEU A 755
 None
 0.92A 5b1bN-4bjtA:
undetectable
5b1bW-4bjtA:
undetectable		 5b1bN-4bjtA:
18.11
5b1bW-4bjtA:
14.67
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.
4bla MALTOSE-BINDING
PERIPLASMIC PROTEIN,
SUPPRESSOR OF FUSED
HOMOLOG

(Escherichia
coli;
Homo sapiens) 		PF05076
(SUFU)
PF12470
(SUFU_C)
PF13416
(SBP_bac_8) 		4 ILE A  60
PHE A  62
THR A 287
LEU A 286
 None
 0.90A 5b1bN-4blaA:
undetectable
5b1bW-4blaA:
undetectable		 5b1bN-4blaA:
21.39
5b1bW-4blaA:
5.59
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.
4bob ERPP PROTEIN

(Borreliella
burgdorferi) 		PF02471
(OspE) 		4 PHE A  78
MET A  92
THR A  93
LEU A 160
 None
 0.79A 5b1bN-4bobA:
undetectable
5b1bW-4bobA:
undetectable		 5b1bN-4bobA:
15.65
5b1bW-4bobA:
17.90
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.
4bxm ERPC

(Borreliella
burgdorferi) 		PF02471
(OspE) 		4 PHE A  73
MET A  87
THR A  88
LEU A 153
 None
 0.80A 5b1bN-4bxmA:
undetectable
5b1bW-4bxmA:
undetectable		 5b1bN-4bxmA:
15.42
5b1bW-4bxmA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c00 TRANSLOCATION AND
ASSEMBLY MODULE TAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA)
PF17243
(POTRA_TamA_1) 		4 ILE A  79
PHE A  81
ARG A  60
LEU A  43
 None
 0.83A 5b1bN-4c00A:
undetectable
5b1bW-4c00A:
undetectable		 5b1bN-4c00A:
20.17
5b1bW-4c00A:
8.70
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.
4cp6 CHOLINE BINDING
PROTEIN PCPA

(Streptococcus
pneumoniae) 		PF13306
(LRR_5) 		4 ILE A 331
PHE A 354
THR A 369
LEU A 368
 None
 0.82A 5b1bN-4cp6A:
undetectable
5b1bW-4cp6A:
undetectable		 5b1bN-4cp6A:
20.91
5b1bW-4cp6A:
8.33
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.
4e8d GLYCOSYL HYDROLASE,
FAMILY 35

(Streptococcus
pneumoniae) 		PF01301
(Glyco_hydro_35) 		4 ILE A 272
PHE A  46
ARG A 264
LEU A 259
 None
 0.85A 5b1bN-4e8dA:
undetectable
5b1bW-4e8dA:
undetectable		 5b1bN-4e8dA:
20.66
5b1bW-4e8dA:
7.48
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.
4el8 GLYCOSIDE HYDROLASE
FAMILY 48

(Caldicellulosiruptor
bescii) 		PF02011
(Glyco_hydro_48) 		4 ILE A 582
PHE A 581
THR A  40
LEU A  41
 None
 0.80A 5b1bN-4el8A:
0.2
5b1bW-4el8A:
undetectable		 5b1bN-4el8A:
20.22
5b1bW-4el8A:
7.86
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.
4fi9 SUN
DOMAIN-CONTAINING
PROTEIN 2

(Homo sapiens) 		PF07738
(Sad1_UNC) 		4 ILE A 648
PHE A 679
ARG A 710
LEU A 615
 None
 0.75A 5b1bN-4fi9A:
undetectable
5b1bW-4fi9A:
undetectable		 5b1bN-4fi9A:
17.12
5b1bW-4fi9A:
16.15
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.
4fix UDP-GALACTOFURANOSYL
TRANSFERASE GLFT2

(Mycobacterium
tuberculosis) 		PF13641
(Glyco_tranf_2_3) 		4 ILE A 137
PHE A 135
THR A  44
LEU A  14
 None
 0.90A 5b1bN-4fixA:
undetectable
5b1bW-4fixA:
undetectable		 5b1bN-4fixA:
22.47
5b1bW-4fixA:
10.34
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.
4hk1 PROLIFERATING CELL
NUCLEAR ANTIGEN

(Drosophila
melanogaster) 		PF00705
(PCNA_N)
PF02747
(PCNA_C) 		4 ILE A  11
ARG A  53
THR A  51
LEU A  50
 None
 0.78A 5b1bN-4hk1A:
undetectable
5b1bW-4hk1A:
undetectable		 5b1bN-4hk1A:
19.03
5b1bW-4hk1A:
12.36
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.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 ILE A 529
PHE A 457
ARG A 489
THR A 491
LEU A 539
 None
 1.34A 5b1bN-4i3gA:
undetectable
5b1bW-4i3gA:
undetectable		 5b1bN-4i3gA:
21.21
5b1bW-4i3gA:
7.05
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.
4iq4 NON-HAEM
BROMOPEROXIDASE
BPO-A2, MATRIX
PROTEIN 1

(Kitasatospora
aureofaciens;
Influenza A
virus) 		PF00561
(Abhydrolase_1)
PF00598
(Flu_M1) 		4 ILE A 148
PHE A 144
ARG A 229
LEU A 231
 None
 0.92A 5b1bN-4iq4A:
undetectable
5b1bW-4iq4A:
undetectable		 5b1bN-4iq4A:
21.82
5b1bW-4iq4A:
8.37
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.
4j38 OUTER SURFACE
PROTEIN E

(Borreliella
burgdorferi) 		PF02471
(OspE) 		4 PHE A  86
MET A 100
THR A 101
LEU A 166
 None
 0.79A 5b1bN-4j38A:
undetectable
5b1bW-4j38A:
undetectable		 5b1bN-4j38A:
13.32
5b1bW-4j38A:
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.
4jis RIBITOL-5-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Bacillus
subtilis) 		PF01128
(IspD) 		4 ILE A 108
PHE A  46
THR A 118
LEU A 117
 None
 0.78A 5b1bN-4jisA:
undetectable
5b1bW-4jisA:
undetectable		 5b1bN-4jisA:
18.13
5b1bW-4jisA:
12.96
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.
4kxb GLUTAMYL
AMINOPEPTIDASE

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		4 ARG A 143
MET A 190
THR A 189
LEU A 188
 None
 0.85A 5b1bN-4kxbA:
undetectable
5b1bW-4kxbA:
undetectable		 5b1bN-4kxbA:
20.00
5b1bW-4kxbA:
5.38
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.
4n2x DL-2-HALOACID
DEHALOGENASE

(Methylobacterium
sp. CPA1) 		PF10778
(DehI) 		4 ARG A 249
MET A 251
THR A 252
LEU A 255
 None
 0.85A 5b1bN-4n2xA:
undetectable
5b1bW-4n2xA:
undetectable		 5b1bN-4n2xA:
20.46
5b1bW-4n2xA:
11.99
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.
4oqf PROTEIN RECA

(Mycobacterium
tuberculosis) 		PF00154
(RecA) 		4 ILE A 144
MET A 179
THR A 180
LEU A 183
 None
 0.83A 5b1bN-4oqfA:
undetectable
5b1bW-4oqfA:
undetectable		 5b1bN-4oqfA:
20.15
5b1bW-4oqfA:
12.07
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.
4pk1 CHIMERA PROTEIN OF
OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTORS BAMA AND
BAMB

(Escherichia
coli) 		PF07244
(POTRA)
PF13360
(PQQ_2) 		4 ILE A1349
PHE A1356
ARG A1304
LEU A1327
 None
 0.87A 5b1bN-4pk1A:
undetectable
5b1bW-4pk1A:
undetectable		 5b1bN-4pk1A:
21.54
5b1bW-4pk1A:
6.76
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.
4pl0 MICROCIN-J25 EXPORT
ATP-BINDING/PERMEASE
PROTEIN MCJD

(Escherichia
coli) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		4 ILE A 321
PHE A 320
MET A 101
LEU A  16
 None
 0.84A 5b1bN-4pl0A:
3.4
5b1bW-4pl0A:
undetectable		 5b1bN-4pl0A:
21.25
5b1bW-4pl0A:
6.21
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.
4qaw XYN30D

(Paenibacillus
barcinonensis) 		PF03422
(CBM_6)
PF17189
(Glyco_hydro_30C) 		4 ILE A 499
PHE A 459
ARG A 511
THR A 509
 None
 0.89A 5b1bN-4qawA:
undetectable
5b1bW-4qawA:
undetectable		 5b1bN-4qawA:
23.40
5b1bW-4qawA:
7.33
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.
4rk9 CARBOHYDRATE ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN MSME

(Bacillus
licheniformis) 		PF01547
(SBP_bac_1) 		4 ILE A 338
ARG A 307
MET A  40
THR A  39
 None
GLA  A 503 (-2.8A)
None
GLA  A 502 ( 3.8A)
 0.85A 5b1bN-4rk9A:
undetectable
5b1bW-4rk9A:
undetectable		 5b1bN-4rk9A:
21.64
5b1bW-4rk9A:
7.35
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.
4rrp ANTIGEN ASF1P

(Saccharomyces
cerevisiae) 		PF04729
(ASF1_hist_chap) 		4 ILE M   9
ARG M 108
THR M  43
LEU M  42
 None
 0.91A 5b1bN-4rrpM:
undetectable
5b1bW-4rrpM:
undetectable		 5b1bN-4rrpM:
13.87
5b1bW-4rrpM:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rwt LEIOMODIN-2

(Homo sapiens) 		no annotation 4 ARG C 309
MET C 312
THR C 313
LEU C 316
 None
 0.67A 5b1bN-4rwtC:
undetectable
5b1bW-4rwtC:
undetectable		 5b1bN-4rwtC:
19.44
5b1bW-4rwtC:
9.30
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.
4wij SPLICING FACTOR,
PROLINE- AND
GLUTAMINE-RICH

(Homo sapiens) 		PF00076
(RRM_1)
PF08075
(NOPS) 		4 ILE A 337
PHE A 317
ARG A 365
LEU A 304
 None
 0.90A 5b1bN-4wijA:
undetectable
5b1bW-4wijA:
2.6		 5b1bN-4wijA:
18.34
5b1bW-4wijA:
11.34
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.
4z94 GELSOLIN,
TROPOMODULIN-1,
LEIOMODIN-1 CHIMERA

(Homo sapiens) 		PF00626
(Gelsolin) 		4 PHE G1408
ARG G1460
THR G1464
LEU G1467
 None
 0.92A 5b1bN-4z94G:
undetectable
5b1bW-4z94G:
undetectable		 5b1bN-4z94G:
18.49
5b1bW-4z94G:
12.14
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.
4zi6 CYTOSOL
AMINOPEPTIDASE

(Helicobacter
pylori) 		PF00883
(Peptidase_M17)
PF02789
(Peptidase_M17_N) 		4 TYR A 166
MET A 170
THR A 171
LEU A 174
 None
 0.35A 5b1bN-4zi6A:
undetectable
5b1bW-4zi6A:
undetectable		 5b1bN-4zi6A:
22.57
5b1bW-4zi6A:
9.28
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.
5b0n E3 UBIQUITIN-PROTEIN
LIGASE IPAH9.8

(Shigella
flexneri) 		PF12468
(TTSSLRR) 		4 ILE A 149
ARG A 163
MET A 142
LEU A 122
 None
 0.91A 5b1bN-5b0nA:
undetectable
5b1bW-5b0nA:
undetectable		 5b1bN-5b0nA:
17.29
5b1bW-5b0nA:
11.16
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.
5bqk ICP27

(Human
alphaherpesvirus
1) 		PF05459
(Herpes_UL69) 		4 ILE A 379
PHE A 326
ARG A 308
LEU A 315
 None
 0.86A 5b1bN-5bqkA:
1.9
5b1bW-5bqkA:
undetectable		 5b1bN-5bqkA:
17.83
5b1bW-5bqkA:
12.93
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.
5ed8 MKIAA0668 PROTEIN

(Mus musculus) 		PF07738
(Sad1_UNC) 		4 ILE A 630
PHE A 661
ARG A 692
LEU A 597
 None
 0.71A 5b1bN-5ed8A:
undetectable
5b1bW-5ed8A:
undetectable		 5b1bN-5ed8A:
19.08
5b1bW-5ed8A:
13.46
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.
5gzy (R)-2-HALOACID
DEHALOGENASE

(Pseudomonas
putida) 		PF10778
(DehI) 		4 ILE A 126
PHE A 127
ARG A 211
MET A 176
 None
 0.86A 5b1bN-5gzyA:
1.1
5b1bW-5gzyA:
undetectable		 5b1bN-5gzyA:
20.49
5b1bW-5gzyA:
9.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ic8 PUTATIVE
UNCHARACTERIZED
PROTEIN

(Chaetomium
thermophilum) 		no annotation 4 ARG A 127
MET A 130
THR A 131
LEU A 134
 None
 0.86A 5b1bN-5ic8A:
undetectable
5b1bW-5ic8A:
undetectable		 5b1bN-5ic8A:
20.39
5b1bW-5ic8A:
11.58
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.
5iig VACUOLAR TRANSPORTER
CHAPERONE 4

(Saccharomyces
cerevisiae) 		PF03105
(SPX)
PF09359
(VTC) 		4 ARG A 356
MET A 382
THR A 381
LEU A 380
 None
 0.91A 5b1bN-5iigA:
3.0
5b1bW-5iigA:
undetectable		 5b1bN-5iigA:
20.84
5b1bW-5iigA:
9.17
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.
5mew LACCASE 2

(Steccherinum
murashkinskyi) 		PF00394
(Cu-oxidase)
PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 PHE A  82
TYR A 491
THR A  60
LEU A  59
 None
 0.86A 5b1bN-5mewA:
undetectable
5b1bW-5mewA:
undetectable		 5b1bN-5mewA:
23.09
5b1bW-5mewA:
8.52
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.
5mhf MANNOSYL-OLIGOSACCHA
RIDE GLUCOSIDASE

(Mus musculus) 		no annotation 4 PHE A 206
ARG A 186
THR A 168
LEU A 167
 None
 0.87A 5b1bN-5mhfA:
undetectable
5b1bW-5mhfA:
undetectable		 5b1bN-5mhfA:
undetectable
5b1bW-5mhfA:
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.
5nbq OUTER SURFACE
PROTEIN E

(Borreliella
burgdorferi) 		no annotation 4 PHE G  86
MET G 100
THR G 101
LEU G 166
 None
 0.85A 5b1bN-5nbqG:
undetectable
5b1bW-5nbqG:
undetectable		 5b1bN-5nbqG:
undetectable
5b1bW-5nbqG:
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.
5nm7 PEPTIDOGLYCAN-BINDIN
G DOMAIN 1

(Burkholderia) 		no annotation 4 TYR G 117
ARG G 119
MET G 122
LEU G 126
 None
 0.84A 5b1bN-5nm7G:
undetectable
5b1bW-5nm7G:
undetectable		 5b1bN-5nm7G:
undetectable
5b1bW-5nm7G:
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.
5ny0 L. REUTERIS SRRP
BINDING REGION

(Lactobacillus
reuteri) 		no annotation 4 ILE A 427
MET A 477
THR A 476
LEU A 475
 None
 0.82A 5b1bN-5ny0A:
undetectable
5b1bW-5ny0A:
undetectable		 5b1bN-5ny0A:
undetectable
5b1bW-5ny0A:
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.
5o5j 30S RIBOSOMAL
PROTEIN S8

(Mycolicibacterium
smegmatis) 		PF00410
(Ribosomal_S8) 		4 ILE H  46
ARG H  13
THR H  12
LEU H  77
 None
A  A 805 ( 3.8A)
A  A 858 ( 4.2A)
None
 0.90A 5b1bN-5o5jH:
undetectable
5b1bW-5o5jH:
undetectable		 5b1bN-5o5jH:
12.84
5b1bW-5o5jH:
17.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5tpw GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2A

(Rattus
norvegicus) 		PF01094
(ANF_receptor) 		4 ILE B 127
PHE B 147
THR B 300
LEU B 299
 None
 0.80A 5b1bN-5tpwB:
undetectable
5b1bW-5tpwB:
undetectable		 5b1bN-5tpwB:
20.58
5b1bW-5tpwB:
11.44
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.
5xe0 GENOME POLYPROTEIN

(Enterovirus D) 		PF00680
(RdRP_1) 		4 ILE A  86
TYR A  77
MET A 295
THR A 294
 None
 0.87A 5b1bN-5xe0A:
undetectable
5b1bW-5xe0A:
undetectable		 5b1bN-5xe0A:
20.98
5b1bW-5xe0A:
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.
5xfa NAD-REDUCING
HYDROGENASE

(Hydrogenophilus
thermoluteolus) 		PF01058
(Oxidored_q6) 		4 PHE C  47
ARG C  37
THR C 171
LEU C 174
 None
 0.87A 5b1bN-5xfaC:
undetectable
5b1bW-5xfaC:
undetectable		 5b1bN-5xfaC:
17.32
5b1bW-5xfaC:
16.15
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 4 PHE A 941
MET A1229
THR A1230
LEU A1233
 None
 0.87A 5b1bN-6fikA:
undetectable
5b1bW-6fikA:
undetectable		 5b1bN-6fikA:
undetectable
5b1bW-6fikA:
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.
6fn1 HUMAN-MOUSE CHIMERIC
ABCB1 (ABCBHM)

(Homo sapiens) 		no annotation 5 ILE A 895
PHE A 915
TYR A 489
ARG A 488
THR A 482
 None
 1.42A 5b1bN-6fn1A:
2.9
5b1bW-6fn1A:
undetectable		 5b1bN-6fn1A:
undetectable
5b1bW-6fn1A:
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.
6fyv DUAL SPECIFICITY
PROTEIN KINASE CLK4

(Homo sapiens) 		no annotation 4 ILE A 398
PHE A 412
ARG A 346
LEU A 354
 None
None
SO4  A 503 (-2.8A)
None
 0.84A 5b1bN-6fyvA:
1.8
5b1bW-6fyvA:
undetectable		 5b1bN-6fyvA:
undetectable
5b1bW-6fyvA:
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.
6gsa -

(-) 		no annotation 4 ILE D 320
MET D 361
THR D 360
LEU D 359
 None
 0.83A 5b1bN-6gsaD:
undetectable
5b1bW-6gsaD:
undetectable		 5b1bN-6gsaD:
undetectable
5b1bW-6gsaD:
undetectable