SIMILAR PATTERNS OF AMINO ACIDS FOR 3QXY_B_SAMB6735_0

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.
1b25 PROTEIN
(FORMALDEHYDE
FERREDOXIN
OXIDOREDUCTASE)

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 ALA A 490
GLY A  73
ALA A 222
TYR A 223
TYR A 504
 None
 1.44A 3qxyB-1b25A:
0.0
3qxyQ-1b25A:
undetectable		 3qxyB-1b25A:
22.36
3qxyQ-1b25A:
2.33
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.
1evq SERINE HYDROLASE

(Alicyclobacillus
acidocaldarius) 		PF07859
(Abhydrolase_3) 		5 ALA A 156
GLY A 157
TYR A  80
ALA A 116
PHE A 214
 EPE  A 455 (-3.8A)
None
None
None
EPE  A 455 (-4.8A)
 1.13A 3qxyB-1evqA:
0.0
3qxyQ-1evqA:
undetectable		 3qxyB-1evqA:
20.44
3qxyQ-1evqA:
7.65
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.
1gve AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 3

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		5 VAL A 281
ALA A 280
TYR A 107
TYR A 164
PHE A 190
 None
 1.14A 3qxyB-1gveA:
0.0
3qxyQ-1gveA:
undetectable		 3qxyB-1gveA:
21.67
3qxyQ-1gveA:
3.19
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.
1jji CARBOXYLESTERASE

(Archaeoglobus
fulgidus) 		PF07859
(Abhydrolase_3) 		5 ALA A 161
GLY A 162
TYR A  85
ALA A 121
PHE A 218
 EPE  A 455 (-3.4A)
None
None
None
EPE  A 455 ( 4.9A)
 1.19A 3qxyB-1jjiA:
0.0
3qxyQ-1jjiA:
undetectable		 3qxyB-1jjiA:
20.25
3qxyQ-1jjiA:
5.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 VAL A 375
ALA A 414
TYR A 423
ALA A 301
ASN A 369
 None
 1.34A 3qxyB-1mwoA:
undetectable
3qxyQ-1mwoA:
undetectable		 3qxyB-1mwoA:
20.32
3qxyQ-1mwoA:
6.15
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.
1qlb FUMARATE REDUCTASE
FLAVOPROTEIN SUBUNIT

(Wolinella
succinogenes) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 VAL A 195
ALA A 194
GLY A 193
TYR A 192
ALA A 246
 None
 1.33A 3qxyB-1qlbA:
undetectable
3qxyQ-1qlbA:
undetectable		 3qxyB-1qlbA:
23.19
3qxyQ-1qlbA:
2.40
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.
1tvc METHANE
MONOOXYGENASE
COMPONENT C

(Methylococcus
capsulatus) 		PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6) 		5 VAL A 110
GLY A 112
TYR A 215
ALA A 250
PHE A 245
 FDA  A 252 (-3.6A)
None
None
None
FDA  A 252 (-3.5A)
 1.44A 3qxyB-1tvcA:
0.0
3qxyQ-1tvcA:
undetectable		 3qxyB-1tvcA:
21.08
3qxyQ-1tvcA:
5.99
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.
1v71 HYPOTHETICAL PROTEIN
C320.14 IN
CHROMOSOME III

(Schizosaccharomyces
pombe) 		PF00291
(PALP) 		5 ALA A  55
GLY A  54
ALA A  90
TYR A 119
ASN A  84
 PLP  A 350 ( 4.4A)
None
None
None
PLP  A 350 (-3.6A)
 1.38A 3qxyB-1v71A:
0.0
3qxyQ-1v71A:
undetectable		 3qxyB-1v71A:
21.91
3qxyQ-1v71A:
5.96
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.
1z2i MALATE DEHYDROGENASE

(Agrobacterium
tumefaciens) 		PF02615
(Ldh_2) 		5 VAL A 170
ALA A 169
GLY A 130
ALA A 276
PHE A 146
 None
 1.25A 3qxyB-1z2iA:
0.7
3qxyQ-1z2iA:
undetectable		 3qxyB-1z2iA:
24.26
3qxyQ-1z2iA:
3.49
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.
2atx SMALL GTP BINDING
PROTEIN TC10

(Homo sapiens) 		PF00071
(Ras) 		5 VAL A 107
GLY A  24
ALA A 119
TYR A  86
PHE A 124
 None
 1.49A 3qxyB-2atxA:
undetectable
3qxyQ-2atxA:
undetectable		 3qxyB-2atxA:
17.48
3qxyQ-2atxA:
6.59
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.
2b6n PROTEINASE K

(Serratia sp.
GF96) 		PF00082
(Peptidase_S8) 		5 VAL A  73
ALA A  74
GLY A  75
TYR A  82
TYR A 213
 None
 1.49A 3qxyB-2b6nA:
undetectable
3qxyQ-2b6nA:
undetectable		 3qxyB-2b6nA:
20.18
3qxyQ-2b6nA:
4.53
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.
2bhm TYPE IV SECRETION
SYSTEM PROTEIN VIRB8

(Brucella suis) 		PF04335
(VirB8) 		5 VAL A 163
TYR A 117
TYR A 141
TYR A 229
TYR A 110
 None
 1.11A 3qxyB-2bhmA:
undetectable
3qxyQ-2bhmA:
undetectable		 3qxyB-2bhmA:
15.88
3qxyQ-2bhmA:
6.47
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.
2bku IMPORTIN BETA-1
SUBUNIT

(Saccharomyces
cerevisiae) 		PF03810
(IBN_N)
PF13513
(HEAT_EZ) 		5 VAL B 759
GLY B 804
ALA B 787
TYR B 830
PHE B 782
 None
 1.42A 3qxyB-2bkuB:
undetectable
3qxyQ-2bkuB:
undetectable		 3qxyB-2bkuB:
19.24
3qxyQ-2bkuB:
2.47
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.
2bp1 AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 VAL A 314
ALA A 313
TYR A 140
TYR A 197
PHE A 223
 None
 1.17A 3qxyB-2bp1A:
undetectable
3qxyQ-2bp1A:
undetectable		 3qxyB-2bp1A:
23.64
3qxyQ-2bp1A:
3.53
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.
2c1i PEPTIDOGLYCAN GLCNAC
DEACETYLASE

(Streptococcus
pneumoniae) 		PF01522
(Polysacc_deac_1) 		5 VAL A 153
GLY A 151
ALA A  79
TYR A 113
TYR A  81
 None
 1.46A 3qxyB-2c1iA:
undetectable
3qxyQ-2c1iA:
undetectable		 3qxyB-2c1iA:
21.68
3qxyQ-2c1iA:
3.70
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.
2c40 INOSINE-URIDINE
PREFERRING
NUCLEOSIDE HYDROLASE
FAMILY PROTEIN

(Bacillus
anthracis) 		PF01156
(IU_nuc_hydro) 		5 VAL A 184
ALA A 132
TYR A 136
ALA A 105
PHE A 124
 None
 1.31A 3qxyB-2c40A:
undetectable
3qxyQ-2c40A:
undetectable		 3qxyB-2c40A:
23.21
3qxyQ-2c40A:
4.18
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.
2c7b CARBOXYLESTERASE

(uncultured
archaeon) 		PF07859
(Abhydrolase_3) 		5 ALA A 155
GLY A 156
TYR A  79
ALA A 115
PHE A 214
 None
 1.20A 3qxyB-2c7bA:
undetectable
3qxyQ-2c7bA:
undetectable		 3qxyB-2c7bA:
22.29
3qxyQ-2c7bA:
4.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c91 AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 2

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 VAL A 281
ALA A 280
TYR A 107
TYR A 164
PHE A 190
 None
 1.13A 3qxyB-2c91A:
undetectable
3qxyQ-2c91A:
undetectable		 3qxyB-2c91A:
23.55
3qxyQ-2c91A:
6.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cc3 PROTEIN VIRB8

(Agrobacterium
tumefaciens) 		PF04335
(VirB8) 		5 VAL A 160
TYR A 112
TYR A 136
TYR A 222
TYR A 105
 None
 1.20A 3qxyB-2cc3A:
undetectable
3qxyQ-2cc3A:
undetectable		 3qxyB-2cc3A:
15.26
3qxyQ-2cc3A:
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.
2clp AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 3

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 VAL A 314
ALA A 313
TYR A 140
TYR A 197
PHE A 223
 None
 1.13A 3qxyB-2clpA:
undetectable
3qxyQ-2clpA:
undetectable		 3qxyB-2clpA:
21.12
3qxyQ-2clpA:
7.28
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.
2eqi PHOSPHOLIPASE C,
GAMMA 2

(Mus musculus) 		PF00018
(SH3_1) 		5 VAL A  10
GLY A  45
ALA A  18
TYR A  16
PHE A  26
 None
 1.43A 3qxyB-2eqiA:
undetectable
3qxyQ-2eqiA:
undetectable		 3qxyB-2eqiA:
8.24
3qxyQ-2eqiA:
16.67
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.
2etv IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF01497
(Peripla_BP_2) 		5 GLY A  74
TYR A 287
ALA A  53
ASN A 291
TYR A  54
 None
EDO  A  19 (-3.6A)
None
None
None
 1.32A 3qxyB-2etvA:
undetectable
3qxyQ-2etvA:
undetectable		 3qxyB-2etvA:
22.83
3qxyQ-2etvA:
4.42
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.
2fhk FORMYLMETHANOFURAN--
TETRAHYDROMETHANOPTE
RIN
FORMYLTRANSFERASE

(Methanopyrus
kandleri) 		PF01913
(FTR)
PF02741
(FTR_C) 		5 VAL A 187
ALA A 186
GLY A 263
ALA A 278
TYR A 170
 None
 1.40A 3qxyB-2fhkA:
1.1
3qxyQ-2fhkA:
undetectable		 3qxyB-2fhkA:
20.35
3qxyQ-2fhkA:
6.52
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.
2fj0 CARBOXYLIC ESTER
HYDROLASE

(Manduca sexta) 		PF00135
(COesterase) 		5 ALA A 194
GLY A 195
TYR A 175
ALA A  61
TYR A  60
 None
 1.14A 3qxyB-2fj0A:
undetectable
3qxyQ-2fj0A:
undetectable		 3qxyB-2fj0A:
21.82
3qxyQ-2fj0A:
2.84
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.
2h21 RIBULOSE-1,5
BISPHOSPHATE
CARBOXYLASE/OXYGENAS
E

(Pisum sativum) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		5 GLY A  81
ASN A 242
TYR A 287
TYR A 300
PHE A 302
 SAM  A 801 (-3.7A)
SAM  A 801 (-2.9A)
SAM  A 801 (-4.8A)
None
SAM  A 801 (-3.9A)
 0.60A 3qxyB-2h21A:
29.5
3qxyQ-2h21A:
undetectable		 3qxyB-2h21A:
25.81
3qxyQ-2h21A:
4.13
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.
2hfs MEVALONATE KINASE,
PUTATIVE

(Leishmania
major) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 VAL A  19
ALA A  36
GLY A  37
TYR A  16
TYR A 186
 None
 1.29A 3qxyB-2hfsA:
0.0
3qxyQ-2hfsA:
undetectable		 3qxyB-2hfsA:
23.89
3qxyQ-2hfsA:
7.07
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.
2iv2 FORMATE
DEHYDROGENASE H

(Escherichia
coli) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF04879
(Molybdop_Fe4S4) 		5 VAL X 576
ALA X 649
GLY X 648
ALA X 217
ASN X 220
 None
None
None
None
MGD  X 802 ( 4.8A)
 1.49A 3qxyB-2iv2X:
undetectable
3qxyQ-2iv2X:
undetectable		 3qxyB-2iv2X:
20.87
3qxyQ-2iv2X:
3.28
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.
2jrm RIBOSOME MODULATION
FACTOR

(Vibrio
parahaemolyticus) 		PF04957
(RMF) 		5 ALA A  19
GLY A  20
TYR A  17
ALA A  36
TYR A  31
 None
 1.31A 3qxyB-2jrmA:
undetectable
3qxyQ-2jrmA:
undetectable		 3qxyB-2jrmA:
10.41
3qxyQ-2jrmA:
11.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o14 HYPOTHETICAL PROTEIN
YXIM

(Bacillus
subtilis) 		PF13472
(Lipase_GDSL_2) 		5 VAL A 167
GLY A 169
ALA A 185
TYR A 176
ASN A 204
 None
 1.23A 3qxyB-2o14A:
undetectable
3qxyQ-2o14A:
undetectable		 3qxyB-2o14A:
21.55
3qxyQ-2o14A:
10.48
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.
2qpm CYTOKININ
DEHYDROGENASE 1

(Zea mays) 		PF01565
(FAD_binding_4)
PF09265
(Cytokin-bind) 		5 VAL A 118
ALA A 113
GLY A 116
TYR A  96
LYS A 517
 None
 1.50A 3qxyB-2qpmA:
undetectable
3qxyQ-2qpmA:
undetectable		 3qxyB-2qpmA:
23.61
3qxyQ-2qpmA:
2.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2v5i SALMONELLA
TYPHIMURIUM DB7155
BACTERIOPHAGE DET7
TAILSPIKE

(unidentified
phage) 		PF09251
(PhageP22-tail) 		5 VAL A 484
ALA A 506
GLY A 505
TYR A 527
ALA A 548
 None
 1.42A 3qxyB-2v5iA:
undetectable
3qxyQ-2v5iA:
undetectable		 3qxyB-2v5iA:
23.09
3qxyQ-2v5iA:
2.00
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.
2vkn PROTEIN SSU81

(Saccharomyces
cerevisiae) 		PF00018
(SH3_1) 		5 VAL A  33
ALA A  43
ALA A  15
TYR A  13
PHE A  25
 None
 0.97A 3qxyB-2vknA:
undetectable
3qxyQ-2vknA:
undetectable		 3qxyB-2vknA:
7.88
3qxyQ-2vknA:
17.14
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.
2vrn PROTEASE I

(Deinococcus
radiodurans) 		PF01965
(DJ-1_PfpI) 		5 ALA A 107
GLY A 108
TYR A 105
ALA A  13
TYR A  76
 None
 1.49A 3qxyB-2vrnA:
undetectable
3qxyQ-2vrnA:
undetectable		 3qxyB-2vrnA:
18.71
3qxyQ-2vrnA:
6.67
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.
2wc7 ALPHA AMYLASE,
CATALYTIC REGION

(Nostoc
punctiforme) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 ALA A 411
TYR A 410
ASN A 432
TYR A 416
PHE A 269
 None
 1.38A 3qxyB-2wc7A:
undetectable
3qxyQ-2wc7A:
undetectable		 3qxyB-2wc7A:
21.86
3qxyQ-2wc7A:
4.09
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.
2yh2 ESTERASE

(Pyrobaculum
calidifontis) 		PF07859
(Abhydrolase_3) 		5 ALA A 158
GLY A 159
TYR A  82
ALA A 118
PHE A 217
 None
 1.11A 3qxyB-2yh2A:
undetectable
3qxyQ-2yh2A:
undetectable		 3qxyB-2yh2A:
22.41
3qxyQ-2yh2A:
5.28
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.
2zal L-ASPARAGINASE

(Escherichia
coli) 		PF01112
(Asparaginase_2) 		5 VAL A  73
ALA A  72
GLY A  71
ALA A  84
ASN A  67
 None
None
NA  A 800 ( 4.4A)
None
None
 1.16A 3qxyB-2zalA:
undetectable
3qxyQ-2zalA:
undetectable		 3qxyB-2zalA:
16.83
3qxyQ-2zalA:
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.
3ail 303AA LONG
HYPOTHETICAL
ESTERASE

(Sulfurisphaera
tokodaii) 		PF07859
(Abhydrolase_3) 		5 ALA A 151
GLY A 152
TYR A  76
ALA A 112
PHE A 206
 DEP  A 304 (-3.5A)
None
None
None
DEP  A 304 (-4.5A)
 1.14A 3qxyB-3ailA:
undetectable
3qxyQ-3ailA:
undetectable		 3qxyB-3ailA:
20.25
3qxyQ-3ailA:
5.21
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.
3c17 L-ASPARAGINASE
PRECURSOR

(Escherichia
coli) 		PF01112
(Asparaginase_2) 		5 VAL A  73
ALA A  72
GLY A  71
ALA A  84
ASN A  67
 None
None
NA  A   1 ( 4.4A)
None
None
 1.12A 3qxyB-3c17A:
undetectable
3qxyQ-3c17A:
undetectable		 3qxyB-3c17A:
21.04
3qxyQ-3c17A:
4.40
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.
3g8m SERINE
HYDROXYMETHYLTRANSFE
RASE

(Escherichia
coli) 		PF00464
(SHMT) 		5 VAL A 256
ALA A 255
TYR A 106
TYR A  90
TYR A 249
 None
 1.47A 3qxyB-3g8mA:
undetectable
3qxyQ-3g8mA:
undetectable		 3qxyB-3g8mA:
21.02
3qxyQ-3g8mA:
3.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kdn RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Thermococcus
kodakarensis) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 ALA A  43
GLY A  44
TYR A  12
ALA A  27
TYR A  91
 None
 1.01A 3qxyB-3kdnA:
undetectable
3qxyQ-3kdnA:
undetectable		 3qxyB-3kdnA:
21.95
3qxyQ-3kdnA:
3.82
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.
3n71 HISTONE LYSINE
METHYLTRANSFERASE
SMYD1

(Mus musculus) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  18
ASN A 205
TYR A 252
TYR A 270
PHE A 272
 SFG  A 491 ( 4.2A)
SFG  A 491 (-3.3A)
SFG  A 491 (-4.8A)
None
SFG  A 491 (-3.7A)
 0.51A 3qxyB-3n71A:
12.7
3qxyQ-3n71A:
undetectable		 3qxyB-3n71A:
21.31
3qxyQ-3n71A:
2.54
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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN

(Aspergillus
nidulans) 		PF01179
(Cu_amine_oxid)
PF09248
(DUF1965) 		5 VAL A 520
GLY A 736
ALA A 524
TYR A 506
PHE A 508
 None
None
None
TPQ  A 504 ( 4.2A)
None
 1.44A 3qxyB-3pgbA:
undetectable
3qxyQ-3pgbA:
undetectable		 3qxyB-3pgbA:
19.65
3qxyQ-3pgbA:
5.39
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.
3q88 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Francisella
tularensis) 		PF00342
(PGI) 		5 VAL A 291
ALA A 288
GLY A 474
ALA A 343
TYR A 339
 None
 1.40A 3qxyB-3q88A:
undetectable
3qxyQ-3q88A:
undetectable		 3qxyB-3q88A:
20.00
3qxyQ-3q88A:
2.95
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.
3q88 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Francisella
tularensis) 		PF00342
(PGI) 		5 VAL A 291
ALA A 288
GLY A 474
TYR A 339
TYR A 262
 None
 1.40A 3qxyB-3q88A:
undetectable
3qxyQ-3q88A:
undetectable		 3qxyB-3q88A:
20.00
3qxyQ-3q88A:
2.95
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3rc0 N-LYSINE
METHYLTRANSFERASE
SETD6

(Homo sapiens) 		PF00856
(SET)
PF09273
(Rubis-subs-bind) 		10 VAL A  72
ALA A  73
GLY A  74
TYR A  75
ALA A 222
TYR A 223
ASN A 251
TYR A 285
TYR A 297
PHE A 299
 SAM  A 484 (-4.6A)
SAM  A 484 (-3.3A)
SAM  A 484 (-3.4A)
None
SAM  A 484 (-3.5A)
SAM  A 484 (-3.6A)
SAM  A 484 (-3.1A)
SAM  A 484 (-4.8A)
None
SAM  A 484 (-3.5A)
 0.12A 3qxyB-3rc0A:
57.6
3qxyQ-3rc0A:
undetectable		 3qxyB-3rc0A:
100.00
3qxyQ-3rc0A:
2.67
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.
3sy6 FIMBRIAL PROTEIN
BF1861

(Bacteroides
fragilis) 		PF13149
(Mfa_like_1) 		5 VAL A 142
ALA A 136
GLY A 139
ASN A 146
PHE A 148
 None
 1.37A 3qxyB-3sy6A:
undetectable
3qxyQ-3sy6A:
undetectable		 3qxyB-3sy6A:
20.09
3qxyQ-3sy6A:
5.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3syb GLYCINE-GLUTAMATE
DIPEPTIDE PORIN OPDP

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		5 VAL A 252
ALA A 290
TYR A 292
TYR A 384
TYR A 323
 None
 1.50A 3qxyB-3sybA:
undetectable
3qxyQ-3sybA:
undetectable		 3qxyB-3sybA:
21.12
3qxyQ-3sybA:
5.31
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.
3v2g 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 ALA A 117
GLY A 118
ALA A  65
ASN A  90
TYR A  62
 None
None
SO4  A 273 (-3.6A)
None
None
 1.21A 3qxyB-3v2gA:
undetectable
3qxyQ-3v2gA:
undetectable		 3qxyB-3v2gA:
24.30
3qxyQ-3v2gA:
8.93
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.
3vis ESTERASE

(Thermobifida
alba) 		PF12740
(Chlorophyllase2) 		5 ALA A  92
GLY A  91
TYR A  90
ALA A 150
TYR A 145
 None
 1.26A 3qxyB-3visA:
undetectable
3qxyQ-3visA:
undetectable		 3qxyB-3visA:
20.26
3qxyQ-3visA:
5.70
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.
3waf IRON ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDING PROTEIN

(Thermus
thermophilus) 		PF13416
(SBP_bac_8) 		5 ALA A 250
GLY A 249
ALA A 274
TYR A 268
PHE A 265
 None
 1.17A 3qxyB-3wafA:
undetectable
3qxyQ-3wafA:
undetectable		 3qxyB-3wafA:
23.74
3qxyQ-3wafA:
4.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zsc PECTATE
TRISACCHARIDE-LYASE

(Thermotoga
maritima) 		PF00544
(Pec_lyase_C) 		5 ALA A 234
GLY A 271
TYR A 272
ALA A 178
TYR A 182
 None
 1.46A 3qxyB-3zscA:
undetectable
3qxyQ-3zscA:
undetectable		 3qxyB-3zscA:
20.13
3qxyQ-3zscA:
6.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4akz TYPE IV SECRETION
SYSTEM PROTEIN VIRB8

(Brucella suis) 		PF04335
(VirB8) 		5 VAL A 163
TYR A 117
TYR A 141
TYR A 229
TYR A 110
 None
 1.12A 3qxyB-4akzA:
undetectable
3qxyQ-4akzA:
undetectable		 3qxyB-4akzA:
14.80
3qxyQ-4akzA:
8.82
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.
4at0 3-KETOSTEROID-DELTA4
-5ALPHA-DEHYDROGENAS
E

(Rhodococcus
jostii) 		PF00890
(FAD_binding_2) 		5 ALA A  63
GLY A  64
ALA A 292
TYR A 466
PHE A 427
 FAD  A1493 (-3.3A)
ACT  A1491 ( 3.2A)
None
ACT  A1490 ( 4.4A)
FAD  A1493 (-4.2A)
 1.21A 3qxyB-4at0A:
undetectable
3qxyQ-4at0A:
undetectable		 3qxyB-4at0A:
22.53
3qxyQ-4at0A:
3.67
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.
4bk1 PROBABLE SALICYLATE
MONOOXYGENASE

(Rhodococcus
jostii) 		PF01494
(FAD_binding_3) 		5 VAL A  44
ALA A  46
GLY A  47
ALA A 229
TYR A 186
 None
 1.20A 3qxyB-4bk1A:
undetectable
3qxyQ-4bk1A:
undetectable		 3qxyB-4bk1A:
21.17
3qxyQ-4bk1A:
3.36
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.
4c1q HISTONE-LYSINE
N-METHYLTRANSFERASE
PRDM9

(Mus musculus) 		PF00856
(SET) 		5 ALA A 256
GLY A 257
TYR A 291
ASN A 320
TYR A 357
 SAH  A 394 (-3.6A)
SAH  A 394 ( 3.7A)
SAH  A 394 (-3.9A)
SAH  A 394 (-3.4A)
None
 0.78A 3qxyB-4c1qA:
5.5
3qxyQ-4c1qA:
undetectable		 3qxyB-4c1qA:
17.94
3qxyQ-4c1qA:
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.
4cg1 CUTINASE

(Thermobifida
fusca) 		PF12740
(Chlorophyllase2) 		5 VAL A  54
ALA A  53
GLY A  52
TYR A  51
ALA A 111
 None
 1.41A 3qxyB-4cg1A:
undetectable
3qxyQ-4cg1A:
undetectable		 3qxyB-4cg1A:
22.07
3qxyQ-4cg1A:
8.41
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.
4dzt AQUALYSIN-1

(Thermus
aquaticus) 		PF00082
(Peptidase_S8) 		5 VAL A  74
ALA A  75
GLY A  76
TYR A  83
TYR A 209
 None
 1.45A 3qxyB-4dztA:
undetectable
3qxyQ-4dztA:
undetectable		 3qxyB-4dztA:
20.97
3qxyQ-4dztA:
10.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ecl SERINE RACEMASE

(Enterococcus
faecalis) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 VAL A  37
ALA A  41
GLY A  43
TYR A  75
TYR A  47
 None
 1.31A 3qxyB-4eclA:
undetectable
3qxyQ-4eclA:
undetectable		 3qxyB-4eclA:
23.39
3qxyQ-4eclA:
9.09
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.
4fs3 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADPH] FABI

(Staphylococcus
aureus) 		PF13561
(adh_short_C2) 		5 VAL A 248
GLY A 191
TYR A 147
ALA A  21
TYR A  91
 None
None
0WE  A 302 ( 3.8A)
None
None
 1.34A 3qxyB-4fs3A:
undetectable
3qxyQ-4fs3A:
undetectable		 3qxyB-4fs3A:
20.59
3qxyQ-4fs3A:
7.83
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.
4je0 SER-ASP RICH
FIBRINOGEN/BONE
SIALOPROTEIN-BINDING
PROTEIN SDRD

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		5 VAL A  43
GLY A  46
ALA A  85
TYR A  96
PHE A  49
 None
 1.42A 3qxyB-4je0A:
undetectable
3qxyQ-4je0A:
undetectable		 3qxyB-4je0A:
19.83
3qxyQ-4je0A:
6.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ols ENDOLYSIN

(Staphylococcus
virus G15) 		PF01510
(Amidase_2) 		5 VAL A 283
GLY A 246
TYR A 250
TYR A 370
PHE A 302
 None
 1.47A 3qxyB-4olsA:
undetectable
3qxyQ-4olsA:
undetectable		 3qxyB-4olsA:
16.52
3qxyQ-4olsA:
4.55
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.
4oqy (S)-IMINE REDUCTASE

(Streptomyces
sp. GF3546) 		PF03446
(NAD_binding_2) 		5 ALA A 165
GLY A 118
TYR A 169
ALA A 103
TYR A  70
 None
 1.35A 3qxyB-4oqyA:
undetectable
3qxyQ-4oqyA:
undetectable		 3qxyB-4oqyA:
22.07
3qxyQ-4oqyA:
4.31
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.
4oqz PUTATIVE
OXIDOREDUCTASE YFJR

(Streptomyces
aurantiacus) 		PF03446
(NAD_binding_2) 		5 ALA A 165
GLY A 117
TYR A 169
ALA A 102
TYR A  69
 None
 1.31A 3qxyB-4oqzA:
undetectable
3qxyQ-4oqzA:
undetectable		 3qxyB-4oqzA:
19.96
3qxyQ-4oqzA:
3.47
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.
4qgo DNA-ENTRY NUCLEASE
(COMPETENCE-SPECIFIC
NUCLEASE)

(Streptococcus
agalactiae) 		PF01223
(Endonuclease_NS) 		5 VAL A 171
ALA A 148
TYR A 152
ALA A 104
ASN A 170
 None
None
SO4  A 303 (-4.7A)
None
None
 1.41A 3qxyB-4qgoA:
undetectable
3qxyQ-4qgoA:
undetectable		 3qxyB-4qgoA:
19.14
3qxyQ-4qgoA:
5.64
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.
4w99 ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE
[NADPH, B-SPECIFIC]
1, MITOCHONDRIAL

(Candida
tropicalis) 		no annotation 5 ALA A 167
GLY A 166
ALA A 201
TYR A 205
ASN A 164
 None
 1.27A 3qxyB-4w99A:
undetectable
3qxyQ-4w99A:
undetectable		 3qxyB-4w99A:
22.29
3qxyQ-4w99A:
6.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4y82 PROTEASOME SUBUNIT
BETA TYPE-7

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome) 		5 VAL M  50
ALA M 117
GLY M 118
ALA M 173
TYR M  16
 None
 1.29A 3qxyB-4y82M:
undetectable
3qxyQ-4y82M:
undetectable		 3qxyB-4y82M:
20.67
3qxyQ-4y82M:
12.82
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.
5b1u METALLO-BETA-LACTAMA
SE

(Serratia
marcescens) 		PF00753
(Lactamase_B) 		5 ALA A 241
GLY A 240
ALA A 235
ASN A 219
TYR A 236
 None
 1.40A 3qxyB-5b1uA:
undetectable
3qxyQ-5b1uA:
undetectable		 3qxyB-5b1uA:
19.12
3qxyQ-5b1uA:
9.09
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.
5c2v HYDRAZINE SYNTHASE
ALPHA SUBUNIT

(Candidatus
Kuenenia
stuttgartiensis) 		no annotation 5 ALA A 160
GLY A 161
TYR A 112
TYR A 157
LYS A 117
 None
 1.49A 3qxyB-5c2vA:
undetectable
3qxyQ-5c2vA:
undetectable		 3qxyB-5c2vA:
18.63
3qxyQ-5c2vA:
2.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fsb TECTONIN 2

(Laccaria
bicolor) 		no annotation 5 VAL A 134
GLY A 136
TYR A 144
ALA A 104
TYR A 106
 None
None
6YR  A 303 (-3.9A)
None
6YR  A 302 (-3.9A)
 1.36A 3qxyB-5fsbA:
undetectable
3qxyQ-5fsbA:
undetectable		 3qxyB-5fsbA:
16.34
3qxyQ-5fsbA:
6.55
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.
5jd4 LAE6

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 ALA A 162
GLY A 163
TYR A  86
ALA A 122
PHE A 218
 BAM  A 407 (-3.2A)
None
None
None
None
 1.07A 3qxyB-5jd4A:
undetectable
3qxyQ-5jd4A:
undetectable		 3qxyB-5jd4A:
22.58
3qxyQ-5jd4A:
11.54
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.
5jd9 SPORE COAT PROTEIN H

(Bacillus cereus) 		PF08757
(CotH) 		5 ALA A  70
GLY A  69
TYR A  38
TYR A   5
PHE A  73
 None
 1.47A 3qxyB-5jd9A:
undetectable
3qxyQ-5jd9A:
undetectable		 3qxyB-5jd9A:
21.84
3qxyQ-5jd9A:
3.43
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.
5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

(Homo sapiens) 		PF00856
(SET)
PF01753
(zf-MYND) 		5 GLY A  18
ASN A 206
TYR A 240
TYR A 258
PHE A 260
 SAM  A 501 ( 4.1A)
SAM  A 501 (-3.2A)
6TM  A 502 ( 3.6A)
6TM  A 502 ( 4.2A)
SAM  A 501 (-3.6A)
 0.53A 3qxyB-5kjmA:
12.8
3qxyQ-5kjmA:
undetectable		 3qxyB-5kjmA:
21.99
3qxyQ-5kjmA:
4.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m10 CYCLOHEXANONE
MONOOXYGENASE FROM
THERMOCRISPUM
MUNICIPALE

(Thermocrispum
municipale) 		PF07992
(Pyr_redox_2) 		5 VAL A  44
ALA A  16
GLY A  15
TYR A  67
TYR A  22
 None
None
FAD  A 601 (-3.4A)
None
None
 1.44A 3qxyB-5m10A:
undetectable
3qxyQ-5m10A:
undetectable		 3qxyB-5m10A:
23.30
3qxyQ-5m10A:
7.47
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.
5mdn DNA POLYMERASE

(Pyrobaculum
calidifontis) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 VAL A 534
ALA A 531
TYR A 439
ALA A 523
TYR A 517
 None
 1.27A 3qxyB-5mdnA:
undetectable
3qxyQ-5mdnA:
undetectable		 3qxyB-5mdnA:
20.86
3qxyQ-5mdnA:
2.52
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.
5oup PERFORIN-LIKE
PROTEIN 1

(Toxoplasma
gondii) 		no annotation 5 VAL A 496
ALA A 471
TYR A 473
ALA A 596
PHE A 499
 None
 1.44A 3qxyB-5oupA:
undetectable
3qxyQ-5oupA:
undetectable		 3qxyB-5oupA:
undetectable
3qxyQ-5oupA:
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.
5tgf UNCHARACTERIZED
PROTEIN

(Bacteroides
dorei) 		PF00144
(Beta-lactamase) 		5 VAL A  56
ALA A  57
GLY A 201
TYR A 147
TYR A 252
 None
GOL  A 401 ( 4.7A)
GOL  A 401 (-3.4A)
GOL  A 402 ( 4.1A)
None
 1.38A 3qxyB-5tgfA:
undetectable
3qxyQ-5tgfA:
undetectable		 3qxyB-5tgfA:
22.50
3qxyQ-5tgfA:
3.74
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.
5vni PROTEIN TRANSPORT
PROTEIN SEC24A

(Homo sapiens) 		PF00626
(Gelsolin)
PF04810
(zf-Sec23_Sec24)
PF04811
(Sec23_trunk)
PF04815
(Sec23_helical)
PF08033
(Sec23_BS) 		5 VAL B 991
ALA B 988
GLY B 989
TYR B 937
ALA B 926
 None
 1.32A 3qxyB-5vniB:
0.8
3qxyQ-5vniB:
undetectable		 3qxyB-5vniB:
20.62
3qxyQ-5vniB:
2.66
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.
5w3l C5 ANTIBODY VARIABLE
HEAVY DOMAIN
C5 ANTIBODY VARIABLE
LIGHT DOMAIN

(Mus musculus;
Mus musculus) 		PF07686
(V-set)
PF07686
(V-set) 		5 ALA E  35
TYR E  94
ALA G  34
TYR G  36
TYR E 102
 None
 1.38A 3qxyB-5w3lE:
undetectable
3qxyQ-5w3lE:
undetectable		 3qxyB-5w3lE:
14.05
3qxyQ-5w3lE:
11.84
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.
5w3l C5 ANTIBODY VARIABLE
HEAVY DOMAIN
C5 ANTIBODY VARIABLE
LIGHT DOMAIN

(Mus musculus;
Mus musculus) 		PF07686
(V-set)
PF07686
(V-set) 		5 VAL E  34
ALA E  35
TYR E  94
ALA G  34
TYR G  36
 None
 1.40A 3qxyB-5w3lE:
undetectable
3qxyQ-5w3lE:
undetectable		 3qxyB-5w3lE:
14.05
3qxyQ-5w3lE:
11.84
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.
5wii CONJUGAL TRANSFER
PROTEIN

(Escherichia
coli) 		no annotation 5 VAL A 159
TYR A 113
TYR A 137
TYR A 225
TYR A 106
 None
 1.23A 3qxyB-5wiiA:
undetectable
3qxyQ-5wiiA:
undetectable		 3qxyB-5wiiA:
14.80
3qxyQ-5wiiA:
8.82
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.
5xxg -

(-) 		no annotation 5 GLY A  15
ASN A 205
TYR A 239
TYR A 257
PHE A 259
 SAM  A 502 ( 3.9A)
SAM  A 502 (-3.1A)
8HR  A 501 ( 4.0A)
None
SAM  A 502 (-3.5A)
 0.44A 3qxyB-5xxgA:
12.2
3qxyQ-5xxgA:
undetectable		 3qxyB-5xxgA:
undetectable
3qxyQ-5xxgA:
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae) 		no annotation 5 ALA A 328
GLY A 329
TYR A 309
ALA A 197
TYR A 196
 None
 1.22A 3qxyB-5ydjA:
undetectable
3qxyQ-5ydjA:
undetectable		 3qxyB-5ydjA:
undetectable
3qxyQ-5ydjA:
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.
5z5d BETA-XYLOSIDASE

(Geobacillus
thermoleovorans) 		no annotation 5 GLY A 478
ASN A  68
TYR A  33
TYR A 484
PHE A  11
 None
 1.48A 3qxyB-5z5dA:
undetectable
3qxyQ-5z5dA:
undetectable		 3qxyB-5z5dA:
undetectable
3qxyQ-5z5dA:
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.
6b1p GLUTAMATE--TRNA
LIGASE 1

(Helicobacter
pylori) 		PF00749
(tRNA-synt_1c) 		5 VAL A 141
ALA A 174
GLY A 178
TYR A  86
PHE A 184
 None
 1.35A 3qxyB-6b1pA:
undetectable
3qxyQ-6b1pA:
undetectable		 3qxyB-6b1pA:
23.15
3qxyQ-6b1pA:
2.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f4a EXORIBONUCLEASE II,
MITOCHONDRIAL

([Candida]
glabrata) 		no annotation 5 ALA A 372
GLY A 373
TYR A 370
ALA A 322
TYR A 326
 None
 1.44A 3qxyB-6f4aA:
undetectable
3qxyQ-6f4aA:
undetectable		 3qxyB-6f4aA:
undetectable
3qxyQ-6f4aA:
undetectable