SIMILAR PATTERNS OF AMINO ACIDS FOR 2BNN_B_FCNB1199

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.
1fc4 2-AMINO-3-KETOBUTYRA
TE CONENZYME A
LIGASE

(Escherichia
coli) 		PF00155
(Aminotran_1_2) 		4 LYS A 362
TYR A 357
LEU A  21
ALA A  16
 None
 0.98A 2bnnA-1fc4A:
undetectable
2bnnB-1fc4A:
undetectable		 2bnnA-1fc4A:
20.15
2bnnB-1fc4A:
20.15
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.
1gz5 ALPHA-TREHALOSE-PHOS
PHATE SYNTHASE

(Escherichia
coli) 		PF00982
(Glyco_transf_20) 		4 LEU A  31
HIS A 129
HIS A 154
ALA A  30
 None
None
IMD  A 902 (-3.9A)
None
 0.86A 2bnnA-1gz5A:
undetectable
2bnnB-1gz5A:
undetectable		 2bnnA-1gz5A:
17.98
2bnnB-1gz5A:
17.98
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.
1h2t 80 KDA NUCLEAR CAP
BINDING PROTEIN

(Homo sapiens) 		PF02854
(MIF4G)
PF09088
(MIF4G_like)
PF09090
(MIF4G_like_2) 		4 TYR C 202
LEU C 203
GLU C 227
HIS C 210
 None
 0.91A 2bnnA-1h2tC:
undetectable
2bnnB-1h2tC:
undetectable		 2bnnA-1h2tC:
14.58
2bnnB-1h2tC:
14.58
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.
1j3p PHOSPHOGLUCOSE
ISOMERASE

(Thermococcus
litoralis) 		PF06560
(GPI) 		4 HIS A  91
GLU A  98
HIS A 137
ALA A 151
 FE  A 201 (-4.4A)
FE  A 201 (-2.8A)
None
None
 1.01A 2bnnA-1j3pA:
9.7
2bnnB-1j3pA:
9.1		 2bnnA-1j3pA:
18.14
2bnnB-1j3pA:
18.14
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.
1kq3 GLYCEROL
DEHYDROGENASE

(Thermotoga
maritima) 		PF00465
(Fe-ADH) 		5 TYR A 138
LEU A 125
HIS A 252
HIS A 269
ALA A 120
 None
None
ZN  A 401 (-3.2A)
ZN  A 401 ( 3.3A)
TRS  A2922 ( 4.0A)
 1.22A 2bnnA-1kq3A:
undetectable
2bnnB-1kq3A:
undetectable		 2bnnA-1kq3A:
20.48
2bnnB-1kq3A:
20.48
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.
1o4t PUTATIVE OXALATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF07883
(Cupin_2) 		5 LEU A  46
HIS A  63
GLU A  68
HIS A  61
ALA A 116
 None
MN  A 300 ( 3.2A)
MN  A 300 ( 2.7A)
MN  A 300 ( 3.3A)
OXL  A 400 ( 4.5A)
 1.50A 2bnnA-1o4tA:
12.2
2bnnB-1o4tA:
11.9		 2bnnA-1o4tA:
21.50
2bnnB-1o4tA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1o4t PUTATIVE OXALATE
DECARBOXYLASE

(Thermotoga
maritima) 		PF07883
(Cupin_2) 		5 LEU A  46
HIS A  63
GLU A  68
HIS A 102
ALA A 116
 None
MN  A 300 ( 3.2A)
MN  A 300 ( 2.7A)
MN  A 300 ( 3.4A)
OXL  A 400 ( 4.5A)
 1.34A 2bnnA-1o4tA:
12.2
2bnnB-1o4tA:
11.9		 2bnnA-1o4tA:
21.50
2bnnB-1o4tA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sh2 RNA POLYMERASE

(Norwalk virus) 		PF00680
(RdRP_1) 		4 LEU A 379
GLU A 345
HIS A 313
ALA A 241
 None
 0.98A 2bnnA-1sh2A:
undetectable
2bnnB-1sh2A:
undetectable		 2bnnA-1sh2A:
18.40
2bnnB-1sh2A:
18.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u6m ACETYLTRANSFERASE,
GNAT FAMILY

(Enterococcus
faecalis) 		PF00583
(Acetyltransf_1) 		4 ASN A 152
GLU A 112
HIS A 184
ALA A  77
 None
 1.02A 2bnnA-1u6mA:
undetectable
2bnnB-1u6mA:
undetectable		 2bnnA-1u6mA:
22.27
2bnnB-1u6mA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u6m ACETYLTRANSFERASE,
GNAT FAMILY

(Enterococcus
faecalis) 		PF00583
(Acetyltransf_1) 		4 LEU A 149
ASN A 152
HIS A 184
GLU A 112
 None
 1.03A 2bnnA-1u6mA:
undetectable
2bnnB-1u6mA:
undetectable		 2bnnA-1u6mA:
22.27
2bnnB-1u6mA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y3t HYPOTHETICAL PROTEIN
YXAG

(Bacillus
subtilis) 		PF07883
(Cupin_2) 		4 TYR A 127
HIS A  64
GLU A  69
HIS A 103
 None
FE  A 401 (-3.3A)
FE  A 401 (-2.6A)
FE  A 401 (-3.5A)
 1.03A 2bnnA-1y3tA:
8.7
2bnnB-1y3tA:
8.8		 2bnnA-1y3tA:
22.43
2bnnB-1y3tA:
22.43
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.
1ycg NITRIC OXIDE
REDUCTASE

(Moorella
thermoacetica) 		PF00258
(Flavodoxin_1)
PF00753
(Lactamase_B) 		4 TYR A 195
ASN A 166
HIS A  81
GLU A  83
 None
None
FEO  A 501 (-3.3A)
EDO  A 602 (-2.2A)
 0.99A 2bnnA-1ycgA:
undetectable
2bnnB-1ycgA:
undetectable		 2bnnA-1ycgA:
18.14
2bnnB-1ycgA:
18.14
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.
1z45 GAL10 BIFUNCTIONAL
PROTEIN

(Saccharomyces
cerevisiae) 		PF01263
(Aldose_epim)
PF16363
(GDP_Man_Dehyd) 		4 ASN A 457
GLU A 665
HIS A 458
ALA A 663
 GAL  A 700 (-3.6A)
GAL  A 700 (-2.7A)
GAL  A 700 (-4.1A)
None
 0.83A 2bnnA-1z45A:
undetectable
2bnnB-1z45A:
undetectable		 2bnnA-1z45A:
15.33
2bnnB-1z45A:
15.33
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.
2avt DNA POLYMERASE III
BETA SUBUNIT

(Streptococcus
pyogenes) 		PF00712
(DNA_pol3_beta)
PF02767
(DNA_pol3_beta_2)
PF02768
(DNA_pol3_beta_3) 		4 TYR A 123
LEU A  76
ASN A  26
GLU A  78
 None
 0.98A 2bnnA-2avtA:
undetectable
2bnnB-2avtA:
undetectable		 2bnnA-2avtA:
21.22
2bnnB-2avtA:
21.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2az3 NUCLEOSIDE
DIPHOSPHATE KINASE

(Halobacterium
salinarum) 		PF00334
(NDK) 		4 HIS A 119
GLU A 132
HIS A  52
ALA A 128
 CDP  A1100 (-4.3A)
None
None
None
 0.64A 2bnnA-2az3A:
undetectable
2bnnB-2az3A:
undetectable		 2bnnA-2az3A:
21.67
2bnnB-2az3A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e67 HYPOTHETICAL PROTEIN
TTHB029

(Thermus
thermophilus) 		PF04794
(YdjC) 		4 TYR A  32
LEU A  22
HIS A  18
HIS A 123
 None
 0.94A 2bnnA-2e67A:
undetectable
2bnnB-2e67A:
undetectable		 2bnnA-2e67A:
22.01
2bnnB-2e67A:
22.01
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.
2e67 HYPOTHETICAL PROTEIN
TTHB029

(Thermus
thermophilus) 		PF04794
(YdjC) 		4 TYR A 140
LEU A  61
HIS A 123
HIS A  18
 None
 0.91A 2bnnA-2e67A:
undetectable
2bnnB-2e67A:
undetectable		 2bnnA-2e67A:
22.01
2bnnB-2e67A:
22.01
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.
2fjk FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Thermus
caldophilus) 		PF01116
(F_bP_aldolase) 		4 LEU A   9
ASN A 251
GLU A 130
HIS A 208
 None
13P  A1063 (-3.5A)
None
13P  A1063 (-3.3A)
 0.93A 2bnnA-2fjkA:
undetectable
2bnnB-2fjkA:
undetectable		 2bnnA-2fjkA:
21.71
2bnnB-2fjkA:
21.71
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.
2gc1 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Pyrococcus
furiosus) 		PF06560
(GPI) 		4 HIS A  90
GLU A  97
HIS A  88
ALA A 150
 ZN  A 401 ( 3.4A)
ZN  A 401 ( 2.5A)
ZN  A 401 ( 3.4A)
S6P  A 502 ( 3.9A)
 0.99A 2bnnA-2gc1A:
9.7
2bnnB-2gc1A:
9.1		 2bnnA-2gc1A:
23.26
2bnnB-2gc1A:
23.26
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.
2gc1 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Pyrococcus
furiosus) 		PF06560
(GPI) 		4 HIS A  90
GLU A  97
HIS A 136
ALA A 150
 ZN  A 401 ( 3.4A)
ZN  A 401 ( 2.5A)
ZN  A 401 ( 3.3A)
S6P  A 502 ( 3.9A)
 0.54A 2bnnA-2gc1A:
9.7
2bnnB-2gc1A:
9.1		 2bnnA-2gc1A:
23.26
2bnnB-2gc1A:
23.26
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.
2gu0 NONSTRUCTURAL
PROTEIN 2

(Rotavirus C) 		PF02509
(Rota_NS35) 		4 LEU A 179
GLU A 183
HIS A 234
ALA A 181
 None
 0.98A 2bnnA-2gu0A:
undetectable
2bnnB-2gu0A:
undetectable		 2bnnA-2gu0A:
20.56
2bnnB-2gu0A:
20.56
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.
2hgs PROTEIN (GLUTATHIONE
SYNTHETASE)

(Homo sapiens) 		PF03199
(GSH_synthase)
PF03917
(GSH_synth_ATP) 		4 TYR A 265
LEU A 208
GLU A 214
ALA A 210
 None
None
GSH  A 503 (-2.4A)
None
 1.02A 2bnnA-2hgsA:
undetectable
2bnnB-2hgsA:
undetectable		 2bnnA-2hgsA:
18.39
2bnnB-2hgsA:
18.39
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.
2lrj STAPHYLOXANTHIN
BIOSYNTHESIS
PROTEIN, PUTATIVE

(Staphylococcus
aureus) 		PF05257
(CHAP) 		4 TYR A 108
LEU A  59
GLU A  85
ALA A  70
 None
 0.90A 2bnnA-2lrjA:
undetectable
2bnnB-2lrjA:
undetectable		 2bnnA-2lrjA:
17.68
2bnnB-2lrjA:
17.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ovi HYPOTHETICAL PROTEIN
CHUX

(Escherichia
coli) 		PF06228
(ChuX_HutX) 		4 LEU A 137
HIS A 154
GLU A 111
ALA A 120
 None
 0.91A 2bnnA-2oviA:
undetectable
2bnnB-2oviA:
undetectable		 2bnnA-2oviA:
24.15
2bnnB-2oviA:
24.15
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.
2w2j CARBONIC
ANHYDRASE-RELATED
PROTEIN

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		4 TYR A 218
LEU A 235
GLU A 139
ALA A 167
 None
 0.75A 2bnnA-2w2jA:
undetectable
2bnnB-2w2jA:
undetectable		 2bnnA-2w2jA:
18.37
2bnnB-2w2jA:
18.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wjf TYROSINE-PROTEIN
PHOSPHATASE CPSB

(Streptococcus
pneumoniae) 		no annotation 4 HIS A   7
GLU A  80
HIS A  42
ALA A 135
 MN  A1246 ( 3.3A)
MN  A1246 (-2.4A)
MN  A1247 ( 3.3A)
MN  A1245 ( 4.7A)
 1.01A 2bnnA-2wjfA:
undetectable
2bnnB-2wjfA:
undetectable		 2bnnA-2wjfA:
24.49
2bnnB-2wjfA:
24.49
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.
2y35 LD22664P

(Drosophila
melanogaster) 		PF03159
(XRN_N) 		4 HIS A 699
GLU A  19
HIS A 247
ALA A  21
 None
 0.84A 2bnnA-2y35A:
undetectable
2bnnB-2y35A:
undetectable		 2bnnA-2y35A:
10.45
2bnnB-2y35A:
10.45
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.
2yp1 AROMATIC
PEROXYGENASE

(Agrocybe
aegerita) 		PF01328
(Peroxidase_2) 		4 TYR A 293
LEU A 304
HIS A  82
ALA A 303
 None
 0.80A 2bnnA-2yp1A:
undetectable
2bnnB-2yp1A:
undetectable		 2bnnA-2yp1A:
21.67
2bnnB-2yp1A:
21.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zua NUCLEOSIDE
DIPHOSPHATE KINASE

(Haloarcula
quadrata) 		PF00334
(NDK) 		4 HIS A 118
GLU A 131
HIS A  51
ALA A 127
 None
 0.79A 2bnnA-2zuaA:
undetectable
2bnnB-2zuaA:
undetectable		 2bnnA-2zuaA:
20.19
2bnnB-2zuaA:
20.19
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.
3bu7 GENTISATE
1,2-DIOXYGENASE

(Ruegeria
pomeroyi) 		PF07883
(Cupin_2) 		4 LEU A 363
GLU A 331
HIS A 286
ALA A 289
 None
 0.79A 2bnnA-3bu7A:
7.7
2bnnB-3bu7A:
8.0		 2bnnA-3bu7A:
18.52
2bnnB-3bu7A:
18.52
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.
3cax UNCHARACTERIZED
PROTEIN PF0695

(Pyrococcus
furiosus) 		PF01814
(Hemerythrin)
PF13596
(PAS_10) 		4 LEU A 203
ASN A 132
GLU A 183
HIS A 179
 None
 0.99A 2bnnA-3caxA:
undetectable
2bnnB-3caxA:
undetectable		 2bnnA-3caxA:
18.67
2bnnB-3caxA:
18.67
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.
3chv PROKARYOTIC DOMAIN
OF UNKNOWN FUNCTION
(DUF849) WITH A TIM
BARREL FOLD

(Ruegeria
pomeroyi) 		PF05853
(BKACE) 		4 TYR A 123
HIS A  53
GLU A 233
HIS A  51
 None
ZN  A 302 (-3.2A)
ZN  A 302 (-2.2A)
ZN  A 302 (-3.2A)
 0.87A 2bnnA-3chvA:
undetectable
2bnnB-3chvA:
undetectable		 2bnnA-3chvA:
21.53
2bnnB-3chvA:
21.53
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.
3doh ESTERASE

(Thermotoga
maritima) 		PF02230
(Abhydrolase_2) 		4 LEU A 207
GLU A  35
HIS A 153
ALA A 210
 None
None
SO4  A 404 (-3.6A)
None
 0.97A 2bnnA-3dohA:
undetectable
2bnnB-3dohA:
undetectable		 2bnnA-3dohA:
21.16
2bnnB-3dohA:
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 BETA
CHAIN

(Escherichia
coli) 		PF13247
(Fer4_11)
PF14711
(Nitr_red_bet_C) 		4 TYR B 355
LEU B  13
ASN B  42
ALA B  16
 None
None
SF4  B 803 (-4.9A)
None
 0.95A 2bnnA-3egwB:
undetectable
2bnnB-3egwB:
undetectable		 2bnnA-3egwB:
17.98
2bnnB-3egwB:
17.98
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.
3fa5 PROTEIN OF UNKNOWN
FUNCTION (DUF849)

(Paracoccus
denitrificans) 		PF05853
(BKACE) 		4 TYR A 123
HIS A  53
GLU A 234
HIS A  51
 None
MG  A 282 (-3.5A)
MG  A 282 (-2.5A)
MG  A 282 (-3.4A)
 0.95A 2bnnA-3fa5A:
undetectable
2bnnB-3fa5A:
undetectable		 2bnnA-3fa5A:
22.42
2bnnB-3fa5A:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3gay FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Giardia
intestinalis) 		PF01116
(F_bP_aldolase) 		4 ASN A 253
GLU A 133
HIS A 210
ALA A 169
 P6T  A 327 (-3.8A)
None
ZN  A 326 ( 3.3A)
None
 0.92A 2bnnA-3gayA:
undetectable
2bnnB-3gayA:
undetectable		 2bnnA-3gayA:
20.12
2bnnB-3gayA:
20.12
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.
3gay FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Giardia
intestinalis) 		PF01116
(F_bP_aldolase) 		4 LEU A  10
GLU A 133
HIS A 210
ALA A 169
 None
None
ZN  A 326 ( 3.3A)
None
 0.87A 2bnnA-3gayA:
undetectable
2bnnB-3gayA:
undetectable		 2bnnA-3gayA:
20.12
2bnnB-3gayA:
20.12
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.
3glg DNA POLYMERASE III
SUBUNIT DELTA'

(Escherichia
coli) 		PF09115
(DNApol3-delta_C)
PF13177
(DNA_pol3_delta2) 		4 TYR E  47
LEU E  48
GLU E 138
ALA E 109
 None
 0.77A 2bnnA-3glgE:
undetectable
2bnnB-3glgE:
undetectable		 2bnnA-3glgE:
20.69
2bnnB-3glgE:
20.69
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.
3gz7 PUTATIVE ANTIBIOTIC
BIOSYNTHESIS
MONOOXYGENASE

(Bordetella
bronchiseptica) 		PF03992
(ABM) 		4 LEU A  52
HIS A  62
HIS A  91
ALA A   6
 CIT  A  97 (-4.5A)
CIT  A  97 (-3.6A)
None
CIT  A  97 ( 3.9A)
 0.86A 2bnnA-3gz7A:
undetectable
2bnnB-3gz7A:
undetectable		 2bnnA-3gz7A:
23.20
2bnnB-3gz7A:
23.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hhs PHENOLOXIDASE
SUBUNIT 1

(Manduca sexta) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		4 TYR B 485
HIS B 480
GLU B 482
HIS B 586
 None
 0.98A 2bnnA-3hhsB:
undetectable
2bnnB-3hhsB:
undetectable		 2bnnA-3hhsB:
14.81
2bnnB-3hhsB:
14.81
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.
3jur EXO-POLY-ALPHA-D-GAL
ACTURONOSIDASE

(Thermotoga
maritima) 		PF00295
(Glyco_hydro_28)
PF12708
(Pectate_lyase_3) 		4 LEU A 202
GLU A  81
HIS A  83
ALA A 126
 None
 1.03A 2bnnA-3jurA:
undetectable
2bnnB-3jurA:
undetectable		 2bnnA-3jurA:
18.97
2bnnB-3jurA:
18.97
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.
3kz1 RHO GUANINE
NUCLEOTIDE EXCHANGE
FACTOR 11

(Homo sapiens) 		PF00621
(RhoGEF) 		4 LEU A 825
HIS A 749
GLU A 878
ALA A 829
 None
 0.82A 2bnnA-3kz1A:
undetectable
2bnnB-3kz1A:
undetectable		 2bnnA-3kz1A:
20.21
2bnnB-3kz1A:
20.21
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.
3may POSSIBLE EXPORTED
PROTEIN

(Mycobacterium
tuberculosis) 		PF16525
(MHB) 		4 TYR A  59
LEU A  60
ASN A  93
HIS A  89
 None
 0.93A 2bnnA-3mayA:
undetectable
2bnnB-3mayA:
undetectable		 2bnnA-3mayA:
16.75
2bnnB-3mayA:
16.75
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.
3mcw PUTATIVE HYDROLASE

(Chromobacterium
violaceum) 		PF00857
(Isochorismatase) 		4 ASN A  32
HIS A  33
GLU A 144
HIS A 166
 None
 0.98A 2bnnA-3mcwA:
undetectable
2bnnB-3mcwA:
undetectable		 2bnnA-3mcwA:
25.23
2bnnB-3mcwA:
25.23
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.
3muo PROLYL ENDOPEPTIDASE

(Aeromonas
caviae) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		4 LEU A 364
HIS A 331
GLU A 340
ALA A 347
 None
SO4  A 807 (-4.1A)
None
None
 1.03A 2bnnA-3muoA:
undetectable
2bnnB-3muoA:
undetectable		 2bnnA-3muoA:
15.62
2bnnB-3muoA:
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.
3no5 UNCHARACTERIZED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF05853
(BKACE) 		4 TYR A 119
HIS A  49
GLU A 229
HIS A  47
 None
ZN  A 275 (-3.3A)
ZN  A 275 (-2.6A)
ZN  A 275 (-3.3A)
 0.97A 2bnnA-3no5A:
undetectable
2bnnB-3no5A:
undetectable		 2bnnA-3no5A:
24.13
2bnnB-3no5A:
24.13
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.
3q6v BETA-LACTAMASE

(Serratia
fonticola) 		PF00753
(Lactamase_B) 		4 LYS A 224
TYR A 297
ASN A 233
ALA A 195
 GOL  A   1 ( 4.6A)
None
GOL  A   1 (-3.4A)
None
 1.01A 2bnnA-3q6vA:
undetectable
2bnnB-3q6vA:
undetectable		 2bnnA-3q6vA:
23.60
2bnnB-3q6vA:
23.60
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.
3q94 FRUCTOSE-BISPHOSPHAT
E ALDOLASE, CLASS II

(Bacillus
anthracis) 		PF01116
(F_bP_aldolase) 		4 LEU A  10
ASN A 231
GLU A 135
HIS A 209
 None
13P  A 321 (-4.1A)
None
ZN  A 301 ( 3.2A)
 1.02A 2bnnA-3q94A:
undetectable
2bnnB-3q94A:
undetectable		 2bnnA-3q94A:
21.96
2bnnB-3q94A:
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.
3qfw RIBULOSE-1,5-BISPHOS
PHATE
CARBOXYLASE/OXYGENAS
E LARGE SUBUNIT

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large) 		4 LYS A 164
LEU A 341
HIS A 254
ALA A 319
 None
 0.80A 2bnnA-3qfwA:
undetectable
2bnnB-3qfwA:
undetectable		 2bnnA-3qfwA:
22.13
2bnnB-3qfwA:
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.
3qm3 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Campylobacter
jejuni) 		PF01116
(F_bP_aldolase) 		4 HIS A 105
GLU A 169
HIS A 221
ALA A 214
 ZN  A 355 (-3.2A)
ZN  A 355 (-1.9A)
ZN  A 355 (-3.2A)
None
 1.01A 2bnnA-3qm3A:
undetectable
2bnnB-3qm3A:
undetectable		 2bnnA-3qm3A:
18.11
2bnnB-3qm3A:
18.11
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.
3rpc POSSIBLE
METAL-DEPENDENT
HYDROLASE

(Veillonella
parvula) 		PF12706
(Lactamase_B_2) 		4 LEU A 162
ASN A   9
HIS A  74
HIS A 223
 None
None
ZN  A 302 (-3.4A)
ZN  A 302 (-3.5A)
 0.96A 2bnnA-3rpcA:
undetectable
2bnnB-3rpcA:
undetectable		 2bnnA-3rpcA:
23.44
2bnnB-3rpcA:
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.
3tgn ADC OPERON REPRESSOR
ADCR

(Streptococcus
pneumoniae) 		PF01047
(MarR) 		4 LEU A  61
HIS A 108
GLU A  24
HIS A 112
 None
ZN  A 147 (-3.2A)
ZN  A 147 (-2.1A)
ZN  A 147 (-3.2A)
 0.85A 2bnnA-3tgnA:
undetectable
2bnnB-3tgnA:
undetectable		 2bnnA-3tgnA:
25.63
2bnnB-3tgnA:
25.63
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.
3ugv ENOLASE

(alpha
proteobacterium
BAL199) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 LYS A 136
HIS A 321
GLU A 225
ALA A 198
 None
 0.94A 2bnnA-3ugvA:
undetectable
2bnnB-3ugvA:
undetectable		 2bnnA-3ugvA:
18.27
2bnnB-3ugvA:
18.27
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.
3v9f TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE
REGULATOR, HYBRID
(ONE-COMPONENT
SYSTEM)

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		4 TYR A 659
LEU A 393
ASN A 655
HIS A 654
 None
 0.95A 2bnnA-3v9fA:
undetectable
2bnnB-3v9fA:
undetectable		 2bnnA-3v9fA:
15.44
2bnnB-3v9fA:
15.44
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.
3vis ESTERASE

(Thermobifida
alba) 		PF12740
(Chlorophyllase2) 		4 LEU A 242
ASN A 251
HIS A 168
ALA A 212
 None
 0.99A 2bnnA-3visA:
undetectable
2bnnB-3visA:
undetectable		 2bnnA-3visA:
21.93
2bnnB-3visA:
21.93
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.
3vyl L-RIBULOSE
3-EPIMERASE

(Mesorhizobium
loti) 		PF01261
(AP_endonuc_2) 		5 LEU A  34
HIS A 206
GLU A  36
HIS A 178
ALA A  62
 None
MN  A1001 (-3.2A)
None
None
None
 1.25A 2bnnA-3vylA:
undetectable
2bnnB-3vylA:
undetectable		 2bnnA-3vylA:
23.51
2bnnB-3vylA:
23.51
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.
3wfo POLY A POLYMERASE

(Aquifex
aeolicus) 		PF01743
(PolyA_pol)
PF01966
(HD)
PF12627
(PolyA_pol_RNAbd) 		4 LEU A 284
HIS A 325
HIS A 276
ALA A 417
 None
 1.03A 2bnnA-3wfoA:
undetectable
2bnnB-3wfoA:
undetectable		 2bnnA-3wfoA:
17.15
2bnnB-3wfoA:
17.15
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 4 HIS A 632
GLU A 639
HIS A 709
ALA A 728
 ZN  A 952 (-3.3A)
ZN  A 952 ( 2.4A)
ZN  A 952 (-3.3A)
GOL  A1904 (-3.4A)
 0.90A 2bnnA-4a7kA:
6.6
2bnnB-4a7kA:
6.3		 2bnnA-4a7kA:
12.67
2bnnB-4a7kA:
12.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4avo BETA-1,4-EXOCELLULAS
E

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		4 LEU A 178
ASN A 153
HIS A 200
ALA A 183
 None
 0.96A 2bnnA-4avoA:
undetectable
2bnnB-4avoA:
undetectable		 2bnnA-4avoA:
19.42
2bnnB-4avoA:
19.42
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.
4brj DESULFOFERRODOXIN,
FERROUS IRON-BINDING
REGION

(Ignicoccus
hospitalis) 		PF01880
(Desulfoferrodox) 		4 HIS A 112
GLU A  23
HIS A  56
ALA A  22
 FE  A1125 (-3.3A)
FE  A1125 (-3.9A)
FE  A1125 (-3.5A)
None
 0.81A 2bnnA-4brjA:
undetectable
2bnnB-4brjA:
undetectable		 2bnnA-4brjA:
19.80
2bnnB-4brjA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4clv NICKEL-COBALT-CADMIU
M RESISTANCE PROTEIN
NCCX

(Cupriavidus
metallidurans) 		PF13801
(Metal_resist) 		5 TYR A 135
LEU A  45
HIS A  38
GLU A  63
HIS A 119
 None
None
ZN  A1146 (-3.4A)
ZN  A1146 (-2.6A)
ZN  A1146 (-3.4A)
 1.49A 2bnnA-4clvA:
undetectable
2bnnB-4clvA:
undetectable		 2bnnA-4clvA:
23.76
2bnnB-4clvA:
23.76
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.
4e2g CUPIN 2 CONSERVED
BARREL DOMAIN
PROTEIN

(Sphaerobacter
thermophilus) 		PF07883
(Cupin_2) 		4 TYR A  86
LEU A  71
HIS A  54
ALA A  96
 None
 0.88A 2bnnA-4e2gA:
12.2
2bnnB-4e2gA:
12.1		 2bnnA-4e2gA:
20.00
2bnnB-4e2gA:
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.
4eb0 LCC

(uncultured
bacterium) 		PF12695
(Abhydrolase_5) 		4 LEU A 237
ASN A 246
HIS A 164
ALA A 207
 None
 0.92A 2bnnA-4eb0A:
undetectable
2bnnB-4eb0A:
undetectable		 2bnnA-4eb0A:
24.91
2bnnB-4eb0A:
24.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4er8 TNPAREP FOR PROTEIN

(Escherichia
coli) 		no annotation 4 HIS A 123
GLU A 161
HIS A  59
ALA A 159
 NI  A 201 (-3.2A)
NI  A 201 (-1.9A)
NI  A 201 (-3.3A)
None
 0.66A 2bnnA-4er8A:
undetectable
2bnnB-4er8A:
undetectable		 2bnnA-4er8A:
21.36
2bnnB-4er8A:
21.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j1x EPOXIDASE

(Streptomyces
wedmorensis) 		PF01381
(HTH_3)
PF07883
(Cupin_2) 		4 TYR A 103
HIS A 138
GLU A 142
ALA A 195
 1JJ  A 202 (-4.2A)
FE2  A 201 ( 3.3A)
1JJ  A 202 ( 2.5A)
1JJ  A 202 ( 4.4A)
 0.72A 2bnnA-4j1xA:
25.5
2bnnB-4j1xA:
24.1		 2bnnA-4j1xA:
100.00
2bnnB-4j1xA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4j1x EPOXIDASE

(Streptomyces
wedmorensis) 		PF01381
(HTH_3)
PF07883
(Cupin_2) 		7 TYR A 105
LEU A 120
ASN A 135
HIS A 138
GLU A 142
HIS A 180
ALA A 195
 1JJ  A 202 (-4.9A)
None
1JJ  A 202 (-3.7A)
FE2  A 201 ( 3.3A)
1JJ  A 202 ( 2.5A)
FE2  A 201 ( 3.4A)
1JJ  A 202 ( 4.4A)
 0.44A 2bnnA-4j1xA:
25.5
2bnnB-4j1xA:
24.1		 2bnnA-4j1xA:
100.00
2bnnB-4j1xA:
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.
4mll BETA-LACTAMASE OXA-1

(Escherichia
coli) 		PF00905
(Transpeptidase) 		4 TYR A 241
LEU A  40
ASN A 273
ALA A  52
 None
 1.00A 2bnnA-4mllA:
undetectable
2bnnB-4mllA:
undetectable		 2bnnA-4mllA:
22.64
2bnnB-4mllA:
22.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oie NON-STRUCTURAL
PROTEIN NS1

(West Nile virus) 		PF00948
(Flavi_NS1) 		4 TYR A 323
LEU A 321
ASN A 264
GLU A 334
 None
 1.03A 2bnnA-4oieA:
undetectable
2bnnB-4oieA:
undetectable		 2bnnA-4oieA:
20.75
2bnnB-4oieA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pzk TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE

(Bacillus
anthracis) 		PF00588
(SpoU_methylase) 		4 ASN A  71
HIS A   4
GLU A  29
HIS A  31
 None
 1.03A 2bnnA-4pzkA:
undetectable
2bnnB-4pzkA:
undetectable		 2bnnA-4pzkA:
23.36
2bnnB-4pzkA:
23.36
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.
4r42 ALR3090 PROTEIN

(Nostoc sp. PCC
7120) 		PF05067
(Mn_catalase) 		4 HIS A 166
GLU A 163
HIS A  68
ALA A 136
 MN  A 302 (-3.4A)
MN  A 301 ( 2.2A)
MN  A 301 (-3.3A)
None
 1.00A 2bnnA-4r42A:
undetectable
2bnnB-4r42A:
undetectable		 2bnnA-4r42A:
23.11
2bnnB-4r42A:
23.11
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.
4to8 FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE,
CLASS II

(Staphylococcus
aureus) 		PF01116
(F_bP_aldolase) 		4 ASN A 231
GLU A 135
HIS A 209
ALA A 172
 None
None
ZN  A 301 ( 3.1A)
None
 0.87A 2bnnA-4to8A:
undetectable
2bnnB-4to8A:
undetectable		 2bnnA-4to8A:
19.39
2bnnB-4to8A:
19.39
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.
4to8 FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE,
CLASS II

(Staphylococcus
aureus) 		PF01116
(F_bP_aldolase) 		4 LEU A  10
GLU A 135
HIS A 209
ALA A 172
 None
None
ZN  A 301 ( 3.1A)
None
 0.79A 2bnnA-4to8A:
undetectable
2bnnB-4to8A:
undetectable		 2bnnA-4to8A:
19.39
2bnnB-4to8A:
19.39
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.
4xpx BACTERIOHEMERYTHRIN

(Methylococcus
capsulatus) 		PF01814
(Hemerythrin) 		4 HIS A  81
GLU A  62
HIS A  77
ALA A  18
 FE2  A 201 (-3.4A)
FE2  A 201 ( 2.6A)
FE2  A 201 (-3.4A)
None
 1.00A 2bnnA-4xpxA:
undetectable
2bnnB-4xpxA:
undetectable		 2bnnA-4xpxA:
22.39
2bnnB-4xpxA:
22.39
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.
4ynu GLUCOSE OXIDASE,
PUTATIVE

(Aspergillus
flavus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		4 TYR A  53
ASN A 503
HIS A 505
ALA A  96
 LGC  A 602 ( 4.5A)
LGC  A 602 (-3.4A)
LGC  A 602 (-3.7A)
FAD  A 601 (-4.6A)
 0.72A 2bnnA-4ynuA:
undetectable
2bnnB-4ynuA:
undetectable		 2bnnA-4ynuA:
19.13
2bnnB-4ynuA:
19.13
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.
5b7z UNCHARACTERIZED
PROTEIN TM_0416

(Thermotoga
maritima) 		PF01261
(AP_endonuc_2) 		4 LEU A 108
HIS A 208
GLU A  39
ALA A  66
 1PG  A 306 (-4.8A)
NI  A 305 (-3.0A)
None
None
 0.94A 2bnnA-5b7zA:
undetectable
2bnnB-5b7zA:
undetectable		 2bnnA-5b7zA:
25.00
2bnnB-5b7zA:
25.00
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.
5b86 TUMOR NECROSIS
FACTOR ALPHA-INDUCED
PROTEIN 2

(Mus musculus) 		PF06046
(Sec6) 		4 LEU A 332
ASN A 424
HIS A 353
ALA A 331
 None
 1.03A 2bnnA-5b86A:
undetectable
2bnnB-5b86A:
undetectable		 2bnnA-5b86A:
16.48
2bnnB-5b86A:
16.48
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.
5e1r 7S VICILIN

(Carya
illinoinensis) 		PF00190
(Cupin_1) 		4 LEU A 712
ASN A 632
HIS A 630
ALA A 619
 MPD  A 802 ( 4.5A)
MPD  A 802 (-3.4A)
MPD  A 802 (-4.1A)
MPD  A 802 (-3.6A)
 1.00A 2bnnA-5e1rA:
10.2
2bnnB-5e1rA:
10.4		 2bnnA-5e1rA:
20.47
2bnnB-5e1rA:
20.47
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.
5ikf CHROMATIN REMODELING
FACTOR MIT1
CRYPTIC LOCI
REGULATOR PROTEIN 1

(Schizosaccharomyces
pombe) 		no annotation 4 LEU B 414
HIS A1284
GLU A1281
ALA B 415
 None
 1.01A 2bnnA-5ikfB:
undetectable
2bnnB-5ikfB:
undetectable		 2bnnA-5ikfB:
21.88
2bnnB-5ikfB:
21.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jxf ASP/GLU-SPECIFIC
DIPEPTIDYL-PEPTIDASE

(Flavobacterium
psychrophilum) 		PF10459
(Peptidase_S46) 		4 TYR A 376
LEU A 542
GLU A 143
ALA A 541
 None
 0.87A 2bnnA-5jxfA:
undetectable
2bnnB-5jxfA:
undetectable		 2bnnA-5jxfA:
14.36
2bnnB-5jxfA:
14.36
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.
5k5z PARA

(Sulfolobus sp.
NOB8H2) 		PF13614
(AAA_31) 		4 LEU A 182
ASN A  10
HIS A   9
ALA A 181
 None
 1.02A 2bnnA-5k5zA:
undetectable
2bnnB-5k5zA:
undetectable		 2bnnA-5k5zA:
22.96
2bnnB-5k5zA:
22.96
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.
5kca CEREBELLIN-1,CEREBEL
LIN-1,CEREBELLIN-1,G
LUTAMATE RECEPTOR
IONOTROPIC, DELTA-2

(Homo sapiens) 		PF00386
(C1q)
PF01094
(ANF_receptor) 		4 LEU A 839
GLU A 215
HIS A 834
ALA A 837
 None
 0.96A 2bnnA-5kcaA:
2.2
2bnnB-5kcaA:
undetectable		 2bnnA-5kcaA:
12.27
2bnnB-5kcaA:
12.27
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.
5l85 ZINC FINGER HIT
DOMAIN-CONTAINING
PROTEIN 3

(Homo sapiens) 		no annotation 4 LEU A 126
HIS A 109
GLU A 133
ALA A 129
 None
 0.99A 2bnnA-5l85A:
undetectable
2bnnB-5l85A:
undetectable		 2bnnA-5l85A:
16.84
2bnnB-5l85A:
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.
5lcx (-)-ISOPIPERITENONE
REDUCTASE

(Mentha x
piperita) 		PF00106
(adh_short) 		4 LEU A 119
GLU A 129
HIS A 234
ALA A 118
 None
 1.00A 2bnnA-5lcxA:
undetectable
2bnnB-5lcxA:
undetectable		 2bnnA-5lcxA:
22.90
2bnnB-5lcxA:
22.90
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.
5mb9 PUTATIVE HEAT SHOCK
PROTEIN

(Chaetomium
thermophilum) 		PF00012
(HSP70) 		4 TYR A 134
LEU A  51
ASN A  40
ALA A  64
 None
 1.01A 2bnnA-5mb9A:
undetectable
2bnnB-5mb9A:
undetectable		 2bnnA-5mb9A:
17.70
2bnnB-5mb9A:
17.70
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.
5tnv AP ENDONUCLEASE,
FAMILY PROTEIN 2

(Mycolicibacterium
smegmatis) 		PF01261
(AP_endonuc_2) 		4 LEU A  61
ASN A  18
HIS A  25
ALA A  60
 None
 0.95A 2bnnA-5tnvA:
undetectable
2bnnB-5tnvA:
undetectable		 2bnnA-5tnvA:
20.74
2bnnB-5tnvA:
20.74
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.
5u4n FRUCTOSE-1

(Neisseria
gonorrhoeae) 		PF01116
(F_bP_aldolase) 		5 LEU A  10
ASN A 275
GLU A 140
HIS A 232
ALA A 189
 None
PO4  A 402 ( 4.0A)
None
PO4  A 402 (-3.6A)
None
 1.02A 2bnnA-5u4nA:
undetectable
2bnnB-5u4nA:
undetectable		 2bnnA-5u4nA:
20.49
2bnnB-5u4nA:
20.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5u5d (S)-2-HYDROXYPROPYLP
HOSPHONIC ACID
EPOXIDASE

(Pseudomonas
syringae) 		PF07883
(Cupin_2) 		4 TYR A  93
HIS A 128
GLU A 132
ALA A 186
 TB6  A 302 ( 4.6A)
MN  A 301 ( 3.5A)
MN  A 301 ( 2.5A)
TB6  A 302 ( 3.8A)
 0.76A 2bnnA-5u5dA:
19.1
2bnnB-5u5dA:
17.6		 2bnnA-5u5dA:
30.35
2bnnB-5u5dA:
30.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5u5d (S)-2-HYDROXYPROPYLP
HOSPHONIC ACID
EPOXIDASE

(Pseudomonas
syringae) 		PF07883
(Cupin_2) 		7 TYR A  95
LEU A 110
ASN A 125
HIS A 128
GLU A 132
HIS A 171
ALA A 186
 TB6  A 302 (-4.3A)
None
TB6  A 302 (-3.9A)
MN  A 301 ( 3.5A)
MN  A 301 ( 2.5A)
MN  A 301 ( 3.6A)
TB6  A 302 ( 3.8A)
 0.44A 2bnnA-5u5dA:
19.1
2bnnB-5u5dA:
17.6		 2bnnA-5u5dA:
30.35
2bnnB-5u5dA:
30.35
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.
5u7s FRUCTOSE-1,6-BISPHOS
PHATE ALDOLASE

(Acinetobacter
baumannii) 		PF01116
(F_bP_aldolase) 		5 LEU A  10
ASN A 275
GLU A 140
HIS A 232
ALA A 189
 None
CIT  A 401 (-4.5A)
None
NA  A 402 ( 3.4A)
None
 1.02A 2bnnA-5u7sA:
undetectable
2bnnB-5u7sA:
undetectable		 2bnnA-5u7sA:
21.53
2bnnB-5u7sA:
21.53
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.
5ud0 FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Helicobacter
pylori) 		no annotation 4 HIS A  83
GLU A 134
HIS A 180
ALA A 173
 ZN  A 402 (-3.4A)
ZN  A 402 (-1.9A)
ZN  A 402 (-3.0A)
None
 0.94A 2bnnA-5ud0A:
undetectable
2bnnB-5ud0A:
undetectable		 2bnnA-5ud0A:
undetectable
2bnnB-5ud0A:
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.
5v0t ALPHA,ALPHA-TREHALOS
E-PHOSPHATE SYNTHASE
(UDP-FORMING)

(Paraburkholderia
xenovorans) 		PF00982
(Glyco_transf_20) 		4 LEU A  40
HIS A 139
HIS A 164
ALA A  39
 None
 0.97A 2bnnA-5v0tA:
undetectable
2bnnB-5v0tA:
undetectable		 2bnnA-5v0tA:
19.34
2bnnB-5v0tA:
19.34
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.
5vhi 26S PROTEASOME
NON-ATPASE
REGULATORY SUBUNIT 2

(Homo sapiens) 		PF00004
(AAA) 		4 ASN f 565
HIS f 566
GLU f 574
ALA f 572
 None
 1.00A 2bnnA-5vhif:
undetectable
2bnnB-5vhif:
undetectable		 2bnnA-5vhif:
12.98
2bnnB-5vhif:
12.98
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.
5xyh CBSA

(Xanthomonas
oryzae) 		no annotation 4 LEU A  83
ASN A  48
HIS A 104
ALA A  88
 None
 0.95A 2bnnA-5xyhA:
undetectable
2bnnB-5xyhA:
undetectable		 2bnnA-5xyhA:
15.96
2bnnB-5xyhA:
15.96
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.
5y4k DMSP LYASE DDDY

(Acinetobacter
bereziniae) 		no annotation 4 TYR A 208
HIS A 265
GLU A 269
HIS A 338
 None
ZN  A 501 ( 3.3A)
ZN  A 501 ( 2.4A)
ZN  A 501 ( 3.3A)
 0.87A 2bnnA-5y4kA:
6.3
2bnnB-5y4kA:
5.9		 2bnnA-5y4kA:
17.72
2bnnB-5y4kA:
17.72
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.
5zmy -

(-) 		no annotation 4 TYR A 158
HIS A  69
GLU A  34
HIS A  67
 None
ZN  A 400 ( 3.3A)
ZN  A 400 ( 2.3A)
TAR  A 401 ( 3.3A)
 0.78A 2bnnA-5zmyA:
undetectable
2bnnB-5zmyA:
undetectable		 2bnnA-5zmyA:
undetectable
2bnnB-5zmyA:
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.
6ayh TETR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Salmonella
enterica) 		no annotation 4 TYR A 166
LEU A 169
GLU A  99
HIS A  75
 C3G  A 302 (-4.5A)
None
C3G  A 302 (-2.7A)
C3G  A 302 (-4.0A)
 0.95A 2bnnA-6ayhA:
undetectable
2bnnB-6ayhA:
undetectable		 2bnnA-6ayhA:
17.10
2bnnB-6ayhA:
17.10
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.
6b9r HYDROXYETHYLPHOSPHON
ATE DIOXYGENASE

(Streptomyces
albus) 		no annotation 5 TYR A 111
ASN A 146
HIS A 149
HIS A 190
ALA A 205
 2HE  A 502 (-4.4A)
2HE  A 502 (-3.7A)
FE  A 501 ( 3.4A)
FE  A 501 ( 3.3A)
2HE  A 502 ( 4.3A)
 0.51A 2bnnA-6b9rA:
14.0
2bnnB-6b9rA:
13.4		 2bnnA-6b9rA:
17.91
2bnnB-6b9rA:
17.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6b9s METHYLPHOSPHONATE
SYNTHASE

(Nitrosopumilus
maritimus) 		no annotation 5 TYR A 110
ASN A 145
HIS A 148
HIS A 190
ALA A 206
 None
FE  A 501 ( 4.9A)
FE  A 501 (-3.7A)
FE  A 501 (-3.6A)
None
 0.44A 2bnnA-6b9sA:
12.8
2bnnB-6b9sA:
9.8		 2bnnA-6b9sA:
14.65
2bnnB-6b9sA:
14.65
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.
6c01 ECTONUCLEOTIDE
PYROPHOSPHATASE/PHOS
PHODIESTERASE FAMILY
MEMBER 3

(Homo sapiens) 		no annotation 4 TYR A 173
LEU A 342
GLU A 323
ALA A 341
 None
 1.03A 2bnnA-6c01A:
undetectable
2bnnB-6c01A:
undetectable		 2bnnA-6c01A:
16.48
2bnnB-6c01A:
16.48
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.
6fwf NITRIC-OXIDE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 4 LEU A 567
HIS A 490
GLU A 563
HIS A 541
 HEM  A1001 (-4.8A)
FE  A1004 ( 2.4A)
HEM  A1001 ( 4.7A)
FE  A1004 (-3.0A)
 0.91A 2bnnA-6fwfA:
undetectable
2bnnB-6fwfA:
undetectable		 2bnnA-6fwfA:
18.69
2bnnB-6fwfA:
18.69