SIMILAR PATTERNS OF AMINO ACIDS FOR 5VOO_B_C2FB702

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.
1a6d THERMOSOME (BETA
SUBUNIT)

(Thermoplasma
acidophilum) 		PF00118
(Cpn60_TCP1) 		5 ARG B  44
ASN B 452
GLY B  45
GLY B 409
ILE B 477
 None
 1.10A 5vooB-1a6dB:
undetectable		 5vooB-1a6dB:
22.76
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.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		5 ASN A  45
ASP A  43
LEU A 122
GLY A 196
ILE A 227
 None
 1.11A 5vooB-1f6yA:
29.3		 5vooB-1f6yA:
30.00
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.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		7 GLU A   6
ASN A   9
ASP A  43
LEU A 122
GLY A 196
SER A 198
ILE A 227
 None
 0.55A 5vooB-1f6yA:
29.3		 5vooB-1f6yA:
30.00
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.
1g5u PROFILIN

(Hevea
brasiliensis) 		PF00235
(Profilin) 		5 GLY A1069
VAL A1119
LEU A1020
GLY A1091
ILE A1092
 None
 1.10A 5vooB-1g5uA:
undetectable		 5vooB-1g5uA:
17.53
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.
1h4y ANTI-SIGMA F FACTOR
ANTAGONIST

(Lysinibacillus
sphaericus) 		PF01740
(STAS) 		5 GLY A  59
VAL A  42
LEU A  70
PHE A  90
ILE A  15
 None
 1.13A 5vooB-1h4yA:
2.5		 5vooB-1h4yA:
18.88
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.
1hkg HEXOKINASE A

(Saccharomyces
cerevisiae) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 GLY A 211
LYS A 283
GLY A 207
SER A 190
ILE A 208
 None
 1.10A 5vooB-1hkgA:
undetectable		 5vooB-1hkgA:
19.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1htp H-PROTEIN

(Pisum sativum) 		PF01597
(GCV_H) 		5 GLU A  14
GLY A  55
VAL A  38
SER A  12
ILE A  27
 OSS  A 132 (-3.5A)
None
None
None
OSS  A 132 ( 4.2A)
 1.17A 5vooB-1htpA:
undetectable		 5vooB-1htpA:
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.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 GLU A 301
LYS A 353
GLY A 260
SER A 311
ILE A 285
 None
 1.13A 5vooB-1kb0A:
undetectable		 5vooB-1kb0A:
18.53
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.
1l9g CONSERVED
HYPOTHETICAL PROTEIN

(Thermotoga
maritima) 		PF03167
(UDG) 		5 GLU A  52
ASN A  85
GLY A  47
LEU A  71
GLY A  64
 None
 1.17A 5vooB-1l9gA:
undetectable		 5vooB-1l9gA:
19.93
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.
1m53 ISOMALTULOSE
SYNTHASE

(Klebsiella sp.
LX3) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASN A 100
GLY A 104
GLY A  70
SER A  60
ILE A  69
 None
 1.17A 5vooB-1m53A:
9.8		 5vooB-1m53A:
20.14
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.
1o99 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Geobacillus
stearothermophilus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLU A 355
ARG A 357
LEU A 495
GLY A 318
SER A 345
 None
SO4  A 904 (-4.3A)
None
None
None
 1.11A 5vooB-1o99A:
undetectable		 5vooB-1o99A:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oe5 SINGLE-STRAND
SELECTIVE
MONOFUNCTIONAL
URACIL DNA
GLYCOSYLASE

(Xenopus laevis) 		no annotation 5 ASN A 174
GLY A  94
LEU A 119
GLY A 149
SER A 148
 URA  A1282 (-3.0A)
URA  A1282 (-3.6A)
None
None
URA  A1282 ( 4.4A)
 1.16A 5vooB-1oe5A:
undetectable		 5vooB-1oe5A:
23.97
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.
1p5s RAS
GTPASE-ACTIVATING-LI
KE PROTEIN RNG2

(Schizosaccharomyces
pombe) 		PF00307
(CH) 		5 ARG A  99
VAL A 136
LEU A 133
GLY A  72
ILE A 104
 None
 1.17A 5vooB-1p5sA:
undetectable		 5vooB-1p5sA:
22.08
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.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		5 GLU A 505
ARG A  34
GLY A 501
SER A 512
ILE A 502
 None
 1.13A 5vooB-1rqgA:
undetectable		 5vooB-1rqgA:
18.64
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.
1wky ENDO-BETA-1,4-MANNAN
ASE

(Bacillus sp.
JAMB-602) 		PF00150
(Cellulase) 		5 GLY A  59
VAL A 313
LEU A 305
GLY A  73
ILE A  74
 None
 1.09A 5vooB-1wkyA:
3.1		 5vooB-1wkyA:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xco PHOSPHATE
ACETYLTRANSFERASE

(Bacillus
subtilis) 		PF01515
(PTA_PTB) 		5 GLU A  52
ASN A  51
VAL A  67
GLY A  48
ILE A  53
 None
 1.12A 5vooB-1xcoA:
undetectable		 5vooB-1xcoA:
24.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ztm FUSION GLYCOPROTEIN

(Human
respirovirus 3) 		PF00523
(Fusion_gly) 		5 GLY A 225
VAL A 269
LEU A  86
GLY A 219
ILE A 218
 None
 1.10A 5vooB-1ztmA:
undetectable		 5vooB-1ztmA:
22.00
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.
2anv LYSOZYME

(Salmonella
virus P22) 		PF00959
(Phage_lysozyme) 		5 ARG A  11
GLY A   8
VAL A 104
LEU A 108
SER A 146
 SO4  A 605 (-2.9A)
None
None
None
SO4  A 605 ( 3.7A)
 1.05A 5vooB-2anvA:
undetectable		 5vooB-2anvA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b4e CORONIN-1A

(Mus musculus) 		PF00400
(WD40)
PF08953
(DUF1899)
PF16300
(WD40_4) 		5 GLU A 102
ARG A 133
GLY A 135
ASP A 103
GLY A  57
 None
 1.07A 5vooB-2b4eA:
undetectable		 5vooB-2b4eA:
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.
2b4e CORONIN-1A

(Mus musculus) 		PF00400
(WD40)
PF08953
(DUF1899)
PF16300
(WD40_4) 		5 GLU A 102
ARG A 133
GLY A 135
ASP A 103
PHE A  39
 None
 1.05A 5vooB-2b4eA:
undetectable		 5vooB-2b4eA:
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.
2bi7 UDP-GALACTOPYRANOSE
MUTASE

(Klebsiella
pneumoniae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 GLY A 197
VAL A 213
LEU A 215
GLY A  39
SER A  42
 None
None
None
None
FAD  A1385 ( 3.8A)
 1.11A 5vooB-2bi7A:
undetectable		 5vooB-2bi7A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2cr5 REPRODUCTION 8

(Mus musculus) 		PF00789
(UBX) 		5 ASN A  45
GLY A  79
VAL A  26
LEU A  93
GLY A  86
 None
 1.00A 5vooB-2cr5A:
undetectable		 5vooB-2cr5A:
17.71
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.
2fr1 ERYTHROMYCIN
SYNTHASE, ERYAI

(Saccharopolyspora
erythraea) 		PF08659
(KR) 		5 ARG A1774
VAL A1595
LEU A1592
GLY A1766
ILE A1769
 None
 1.16A 5vooB-2fr1A:
3.4		 5vooB-2fr1A:
26.76
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.
2g39 ACETYL-COA HYDROLASE

(Pseudomonas
aeruginosa) 		PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C) 		5 GLU A 288
GLY A 308
VAL A 226
GLY A 263
ILE A 264
 ACY  A 901 (-2.6A)
None
None
None
ACY  A 901 (-4.1A)
 1.11A 5vooB-2g39A:
undetectable		 5vooB-2g39A:
23.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2glf PROBABLE M18-FAMILY
AMINOPEPTIDASE 1

(Thermotoga
maritima) 		PF02127
(Peptidase_M18) 		5 GLY A 249
LYS A  33
VAL A 356
LEU A 394
SER A 433
 None
 1.15A 5vooB-2glfA:
undetectable		 5vooB-2glfA:
21.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i5g AMIDOHYDROLASE

(Pseudomonas
aeruginosa) 		PF01244
(Peptidase_M19) 		5 GLY A  92
VAL A 288
LEU A  35
GLY A 248
SER A 180
 None
 1.12A 5vooB-2i5gA:
6.6		 5vooB-2i5gA:
24.09
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.
2it4 CARBONIC ANHYDRASE 1

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 GLU A 106
ASN A 244
LYS A   5
VAL A 218
LEU A 157
 ZN  A 561 ( 4.9A)
None
None
None
None
 1.13A 5vooB-2it4A:
undetectable		 5vooB-2it4A:
20.33
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.
2pwh SUCROSE ISOMERASE

([Pseudomonas]
mesoacidophila) 		PF00128
(Alpha-amylase)
PF11941
(DUF3459) 		5 ASN A  59
GLY A  63
GLY A  29
SER A  19
ILE A  28
 None
None
CA  A7001 ( 4.6A)
None
None
 1.16A 5vooB-2pwhA:
10.5		 5vooB-2pwhA:
20.36
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.
2r6r CELL DIVISION
PROTEIN FTSZ

(Aquifex
aeolicus) 		PF00091
(Tubulin)
PF12327
(FtsZ_C) 		5 GLY 1 292
VAL 1 125
LEU 1 123
SER 1 195
ILE 1 193
 None
 1.15A 5vooB-2r6r1:
2.7		 5vooB-2r6r1:
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.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		5 ASN A 851
VAL A1039
LEU A1082
GLY A 997
ILE A 998
 None
 1.16A 5vooB-2rhpA:
undetectable		 5vooB-2rhpA:
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.
2wja PUTATIVE ACID
PHOSPHATASE WZB

(Escherichia
coli) 		PF01451
(LMWPc) 		5 GLY A  42
ASP A 119
VAL A 131
LEU A 135
SER A  89
 None
PO4  A1148 (-3.3A)
None
None
None
 1.16A 5vooB-2wjaA:
undetectable		 5vooB-2wjaA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wtb FATTY ACID
MULTIFUNCTIONAL
PROTEIN (ATMFP2)

(Arabidopsis
thaliana) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLU A 139
GLY A 150
VAL A  35
LEU A  23
GLY A  67
 None
 1.08A 5vooB-2wtbA:
3.5		 5vooB-2wtbA:
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.
2x58 PEROXISOMAL
BIFUNCTIONAL ENZYME

(Rattus
norvegicus) 		PF00378
(ECH_1)
PF00725
(3HCDH)
PF02737
(3HCDH_N) 		5 GLU A 123
GLY A 134
VAL A  28
LEU A  16
GLY A  60
 GOL  A 770 ( 3.5A)
None
None
None
COA  A 760 ( 4.0A)
 1.14A 5vooB-2x58A:
undetectable		 5vooB-2x58A:
18.37
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		6 ASN A  10
LYS A  14
ASP A  44
LEU A 123
GLY A 197
ILE A 228
 C2F  A3000 ( 4.8A)
None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-4.6A)
 0.92A 5vooB-2ycjA:
29.9		 5vooB-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		5 ASN A  46
ASP A  44
LEU A 123
GLY A 197
ILE A 228
 None
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
C2F  A3000 (-4.6A)
 1.11A 5vooB-2ycjA:
29.9		 5vooB-2ycjA:
30.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		7 GLU A   7
ASN A  10
ASP A  44
LEU A 123
GLY A 197
SER A 199
ILE A 228
 C2F  A3000 ( 4.1A)
C2F  A3000 ( 4.8A)
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.6A)
GOL  A1270 ( 3.9A)
C2F  A3000 (-4.6A)
 0.40A 5vooB-2ycjA:
29.9		 5vooB-2ycjA:
30.13
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.
2yjv REGULATOR OF
RIBONUCLEASE
ACTIVITY A

(Escherichia
coli) 		PF03737
(RraA-like) 		5 ARG A  71
GLY A 118
LEU A  61
GLY A  65
SER A  68
 None
 1.05A 5vooB-2yjvA:
undetectable		 5vooB-2yjvA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yjv REGULATOR OF
RIBONUCLEASE
ACTIVITY A

(Escherichia
coli) 		PF03737
(RraA-like) 		5 GLU A  43
ARG A  71
GLY A 118
GLY A  65
SER A  68
 None
 1.11A 5vooB-2yjvA:
undetectable		 5vooB-2yjvA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yv5 YJEQ PROTEIN

(Aquifex
aeolicus) 		PF03193
(RsgA_GTPase) 		5 GLY A 208
LYS A 205
VAL A  50
GLY A  20
ILE A  19
 None
 1.07A 5vooB-2yv5A:
2.5		 5vooB-2yv5A:
23.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3alt LECTIN CEL-IV,
C-TYPE

(Cucumaria
echinata) 		PF00059
(Lectin_C) 		5 GLU A  30
ARG A  34
GLY A  49
LEU A  63
GLY A  86
 None
 1.14A 5vooB-3altA:
undetectable		 5vooB-3altA:
20.35
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.
3au9 1-DEOXY-D-XYLULOSE
5-PHOSPHATE
REDUCTOISOMERASE

(Plasmodium
falciparum) 		PF02670
(DXP_reductoisom)
PF08436
(DXP_redisom_C)
PF13288
(DXPR_C) 		5 GLY A 186
LEU A 219
GLY A 212
SER A 210
ILE A 208
 None
 1.08A 5vooB-3au9A:
undetectable		 5vooB-3au9A:
19.22
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.
3bol 5-METHYLTETRAHYDROFO
LATE S-HOMOCYSTEINE
METHYLTRANSFERASE

(Thermotoga
maritima) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		7 GLU A 320
ASN A 323
ASP A 358
LEU A 437
GLY A 505
SER A 507
ILE A 536
 None
 0.74A 5vooB-3bolA:
22.5		 5vooB-3bolA:
19.93
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.
3c5y RIBOSE/GALACTOSE
ISOMERASE

(Novosphingobium
aromaticivorans) 		PF02502
(LacAB_rpiB)
PF12408
(DUF3666) 		5 GLU A   8
GLY A  77
LEU A 127
SER A  10
ILE A   7
 None
 1.17A 5vooB-3c5yA:
undetectable		 5vooB-3c5yA:
24.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3czp PUTATIVE
POLYPHOSPHATE KINASE
2

(Pseudomonas
aeruginosa) 		PF03976
(PPK2) 		5 ASN A 107
GLY A 106
LEU A 227
GLY A 102
ILE A  43
 None
 1.14A 5vooB-3czpA:
undetectable		 5vooB-3czpA:
22.54
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.
3eoz PUTATIVE
PHOSPHOGLYCERATE
MUTASE

(Plasmodium
falciparum) 		PF00300
(His_Phos_1) 		5 GLY A 183
VAL A  69
LEU A  64
GLY A  57
ILE A  87
 None
 1.03A 5vooB-3eozA:
undetectable		 5vooB-3eozA:
22.70
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.
3euo TYPE III PENTAKETIDE
SYNTHASE

(Neurospora
crassa) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 371
VAL A 267
LEU A 250
GLY A 307
ILE A 311
 None
 1.10A 5vooB-3euoA:
undetectable		 5vooB-3euoA:
23.37
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.
3gqs ADENYLATE
CYCLASE-LIKE PROTEIN

(Chlamydia
trachomatis) 		PF16697
(Yop-YscD_cpl) 		5 GLY A  70
VAL A   9
LEU A   7
GLY A  30
ILE A  45
 None
 1.14A 5vooB-3gqsA:
undetectable		 5vooB-3gqsA:
16.27
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.
3iuu PUTATIVE
METALLOPEPTIDASE

(Chelativorans
sp. BNC1) 		PF07171
(MlrC_C)
PF07364
(DUF1485) 		5 GLU A 210
VAL A 245
LEU A 227
GLY A 212
ILE A 211
 None
 1.10A 5vooB-3iuuA:
undetectable		 5vooB-3iuuA:
23.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		8 GLU A 358
ASN A 361
GLY A 364
ASP A 396
VAL A 478
GLY A 558
SER A 560
ILE A 593
 THH  A 642 ( 3.5A)
GOL  A 643 (-3.1A)
THH  A 642 (-3.7A)
THH  A 642 ( 4.7A)
None
THH  A 642 (-3.3A)
K  A 644 ( 3.4A)
THH  A 642 (-4.2A)
 0.37A 5vooB-3k13A:
38.9		 5vooB-3k13A:
34.19
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.
3keh GLUCOCEREBROSIDASE

(Homo sapiens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 GLY A  82
VAL A 459
LEU A 449
PHE A 337
ILE A 367
 None
 1.07A 5vooB-3kehA:
7.6		 5vooB-3kehA:
21.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mdq EXOPOLYPHOSPHATASE

(Cytophaga
hutchinsonii) 		PF02541
(Ppx-GppA) 		5 ARG A 268
VAL A 282
LEU A 206
SER A 210
ILE A 137
 SO4  A 319 ( 2.9A)
None
None
None
None
 1.14A 5vooB-3mdqA:
3.8		 5vooB-3mdqA:
20.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3n23 SODIUM/POTASSIUM-TRA
NSPORTING ATPASE
SUBUNIT ALPHA-1

(Sus scrofa) 		PF00122
(E1-E2_ATPase)
PF00689
(Cation_ATPase_C)
PF00690
(Cation_ATPase_N)
PF13246
(Cation_ATPase) 		5 GLY A 625
LYS A 622
VAL A 755
GLY A 603
ILE A 604
 None
 1.10A 5vooB-3n23A:
2.2		 5vooB-3n23A:
15.50
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.
3p24 BFT-3

(Bacteroides
fragilis) 		PF13583
(Reprolysin_4)
PF16376
(fragilysinNterm) 		5 ASN A 275
GLY A 274
ASP A 277
GLY A 315
ILE A 316
 None
 1.11A 5vooB-3p24A:
undetectable		 5vooB-3p24A:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pqv RCL1 PROTEIN

(Kluyveromyces
lactis) 		PF01137
(RTC)
PF05189
(RTC_insert) 		5 GLY A 119
LEU A 103
GLY A 128
SER A 122
ILE A 129
 None
 1.08A 5vooB-3pqvA:
undetectable		 5vooB-3pqvA:
22.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3riq TAILSPIKE PROTEIN

(Salmonella
virus 9NA) 		PF09251
(PhageP22-tail) 		5 ASN A 413
VAL A 467
GLY A 409
SER A 376
ILE A 410
 None
 1.16A 5vooB-3riqA:
undetectable		 5vooB-3riqA:
21.28
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.
3sjn MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Shewanella
pealeana) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 GLY A 302
VAL A 122
LEU A 126
GLY A 280
ILE A 108
 None
 1.11A 5vooB-3sjnA:
5.7		 5vooB-3sjnA:
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.
3v4v INTEGRIN BETA-7

(Homo sapiens) 		PF00362
(Integrin_beta) 		5 GLU B 240
GLY B 241
LEU B 193
GLY B 234
SER B 142
 0DU  B4000 (-3.3A)
None
None
0DU  B4000 (-3.4A)
MG  B2001 ( 2.9A)
 1.09A 5vooB-3v4vB:
2.6		 5vooB-3v4vB:
20.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3va8 PROBABLE DEHYDRATASE

(Fusarium
graminearum) 		PF13378
(MR_MLE_C) 		5 GLY A  53
LYS A 402
LEU A 383
GLY A  49
ILE A  38
 None
 1.15A 5vooB-3va8A:
3.4		 5vooB-3va8A:
23.37
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.
4a2w RETINOIC ACID
INDUCIBLE PROTEIN I

(Anas
platyrhynchos) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF16739
(CARD_2) 		5 GLY A 361
VAL A 297
LEU A 299
SER A 336
ILE A 341
 None
 1.16A 5vooB-4a2wA:
undetectable		 5vooB-4a2wA:
16.54
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		6 ASN A 379
GLY A 382
ASP A 449
VAL A 496
GLY A 576
PHE A 582
 THG  A1652 (-4.6A)
THG  A1652 (-3.8A)
THG  A1652 (-3.4A)
None
THG  A1652 (-3.6A)
THG  A1652 (-4.5A)
 1.42A 5vooB-4cczA:
38.4		 5vooB-4cczA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		9 GLU A 376
ASN A 379
GLY A 382
ASP A 414
VAL A 496
GLY A 576
SER A 578
PHE A 582
ILE A 611
 THG  A1652 (-3.5A)
THG  A1652 (-4.6A)
THG  A1652 (-3.8A)
None
None
THG  A1652 (-3.6A)
THG  A1652 (-4.2A)
THG  A1652 (-4.5A)
THG  A1652 (-4.2A)
 0.54A 5vooB-4cczA:
38.4		 5vooB-4cczA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dhi UBIQUITIN
THIOESTERASE
OTUBAIN-LIKE

(Caenorhabditis
elegans) 		PF10275
(Peptidase_C65) 		5 GLU B 258
GLY B 226
GLY B  96
PHE B 111
ILE B 259
 None
 1.16A 5vooB-4dhiB:
undetectable		 5vooB-4dhiB:
22.69
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.
4e4r PHOSPHATE
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF01515
(PTA_PTB) 		5 GLY A 177
VAL A 133
LEU A 299
GLY A 151
ILE A 169
 EDO  A 502 (-3.7A)
None
None
None
None
 1.03A 5vooB-4e4rA:
undetectable		 5vooB-4e4rA:
23.53
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.
4g9i HYDROGENASE
MATURATION PROTEIN
HYPF

(Thermococcus
kodakarensis) 		PF00708
(Acylphosphatase)
PF00814
(Peptidase_M22)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		5 GLY A 521
VAL A 532
GLY A 505
PHE A 693
ILE A 491
 None
 1.05A 5vooB-4g9iA:
undetectable		 5vooB-4g9iA:
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.
4hoz SUCROSE ISOMERASE

(Erwinia
rhapontici) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		5 ASN A 100
GLY A 104
GLY A  70
SER A  60
ILE A  69
 None
None
CA  A 701 ( 4.7A)
None
None
 1.17A 5vooB-4hozA:
10.0		 5vooB-4hozA:
20.63
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.
4i04 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)

(Schistosoma
mansoni) 		PF00112
(Peptidase_C1)
PF08127
(Propeptide_C1) 		5 LYS A 233
LEU A 125
GLY A 218
SER A 220
ILE A 322
 None
 1.05A 5vooB-4i04A:
undetectable		 5vooB-4i04A:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i05 CATHEPSIN B-LIKE
PEPTIDASE (C01
FAMILY)

(Schistosoma
mansoni) 		PF00112
(Peptidase_C1) 		5 LYS A 233
LEU A 125
GLY A 218
SER A 220
ILE A 322
 None
 1.07A 5vooB-4i05A:
undetectable		 5vooB-4i05A:
19.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4jer HEMOPHORE HASA

(Yersinia pestis) 		PF06438
(HasA) 		5 GLY A 149
LEU A 109
GLY A  58
SER A  60
ILE A  57
 None
 0.89A 5vooB-4jerA:
undetectable		 5vooB-4jerA:
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.
4jz6 SALICYLALDEHYDE
DEHYDROGENASE NAHF

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 GLY A 150
VAL A 169
LEU A 198
GLY A 173
SER A 174
 NK  A 501 (-3.1A)
None
None
None
None
 1.04A 5vooB-4jz6A:
undetectable		 5vooB-4jz6A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lns ASPARAGINE
SYNTHETASE A

(Trypanosoma
brucei) 		PF03590
(AsnA) 		5 LYS A 247
LEU A  33
GLY A 316
SER A 273
PHE A 200
 None
 1.15A 5vooB-4lnsA:
undetectable		 5vooB-4lnsA:
24.48
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.
4n3n EUKARYOTIC
TRANSLATION
INITIATION FACTOR
5B-LIKE PROTEIN,
EIF5B(517-C)

(Chaetomium
thermophilum) 		PF00009
(GTP_EFTU)
PF03144
(GTP_EFTU_D2)
PF11987
(IF-2) 		5 ARG A 779
ASP A 778
VAL A 817
LEU A 769
ILE A 793
 None
 1.13A 5vooB-4n3nA:
undetectable		 5vooB-4n3nA:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nen INTEGRIN BETA-2

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF17205
(PSI_integrin) 		5 GLU B 212
GLY B 213
LEU B 165
GLY B 206
SER B 114
 CA  B 705 ( 3.2A)
None
None
None
MG  B 707 (-2.1A)
 1.10A 5vooB-4nenB:
undetectable		 5vooB-4nenB:
19.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		6 GLU A   7
ASN A  10
ASP A  44
LEU A 123
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
None
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 0.52A 5vooB-4o1eA:
27.8		 5vooB-4o1eA:
28.26
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 GLU A   7
ASN A  10
LEU A 163
GLY A 196
ILE A 227
 C2F  A3000 (-3.6A)
C2F  A3000 ( 4.5A)
None
C2F  A3000 (-3.5A)
C2F  A3000 (-4.3A)
 1.00A 5vooB-4o1eA:
27.8		 5vooB-4o1eA:
28.26
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.
4ovq TRAP DICARBOXYLATE
ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Roseobacter
denitrificans) 		PF03480
(DctP) 		5 GLU A  84
ASN A 240
GLY A  81
GLY A  29
ILE A  85
 None
 1.16A 5vooB-4ovqA:
undetectable		 5vooB-4ovqA:
22.74
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.
4psd CARBOHYDRATE
ESTERASE FAMILY 5

(Trichoderma
reesei) 		PF01083
(Cutinase) 		5 GLU A  75
GLY A 101
VAL A 149
LEU A 158
GLY A 118
 None
 0.97A 5vooB-4psdA:
undetectable		 5vooB-4psdA:
22.51
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.
4q0c VIRULENCE SENSOR
PROTEIN BVGS

(Bordetella
pertussis) 		PF00497
(SBP_bac_3) 		5 ASN A 131
GLY A 244
LEU A 116
GLY A 249
SER A 143
 None
 0.99A 5vooB-4q0cA:
undetectable		 5vooB-4q0cA:
21.26
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.
4qax 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Staphylococcus
aureus) 		PF01676
(Metalloenzyme)
PF06415
(iPGM_N) 		5 GLU A 349
ARG A 351
LEU A 489
GLY A 312
SER A 339
 None
 1.10A 5vooB-4qaxA:
undetectable		 5vooB-4qaxA:
21.10
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.
4rxm POSSIBLE SUGAR ABC
SUPERFAMILY ATP
BINDING CASSETTE
TRANSPORTER, BINDING
PROTEIN

(Mannheimia
haemolytica) 		PF13407
(Peripla_BP_4) 		5 GLY A 154
VAL A 139
LEU A 259
GLY A 132
ILE A 168
 None
 0.77A 5vooB-4rxmA:
2.3		 5vooB-4rxmA:
23.91
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.
4s1i PYRIDOXAL KINASE

(Entamoeba
histolytica) 		PF08543
(Phos_pyr_kin) 		5 GLY B 215
LEU B 109
GLY B  82
SER B  10
ILE B 113
 None
None
None
PLP  B 302 (-2.4A)
PLP  B 302 ( 4.7A)
 1.13A 5vooB-4s1iB:
3.0		 5vooB-4s1iB:
19.68
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.
4wk0 INTEGRIN BETA-1

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 GLU B 229
GLY B 230
LEU B 183
GLY B 223
SER B 132
 MG  B 501 ( 3.1A)
None
None
None
MG  B 501 (-2.1A)
 1.17A 5vooB-4wk0B:
undetectable		 5vooB-4wk0B:
20.66
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.
4wrn MALTOSE-BINDING
PERIPLASMIC
PROTEIN,UROMODULIN

(Escherichia
coli;
Homo sapiens) 		PF00100
(Zona_pellucida)
PF13416
(SBP_bac_8) 		5 GLU A 639
ARG A 647
GLY A 588
GLY A 641
SER A 643
 None
 1.07A 5vooB-4wrnA:
undetectable		 5vooB-4wrnA:
16.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4yh2 GLUTATHIONE S
TRANSFERASE E6

(Drosophila
melanogaster) 		PF13417
(GST_N_3)
PF14497
(GST_C_3) 		5 GLU A 193
ASN A 202
GLY A 203
VAL A 142
ILE A 189
 None
 0.97A 5vooB-4yh2A:
undetectable		 5vooB-4yh2A:
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.
4ypl LON PROTEASE

(Meiothermus
taiwanensis) 		PF00004
(AAA)
PF05362
(Lon_C) 		5 VAL A 530
LEU A 543
GLY A 548
SER A 514
ILE A 550
 None
 1.15A 5vooB-4yplA:
undetectable		 5vooB-4yplA:
21.40
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.
4z0t OXIDOREDUCTASE,
SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE FAMILY

(Brucella ovis) 		PF00106
(adh_short) 		5 LYS A 181
VAL A  61
LEU A  63
GLY A  75
ILE A  78
 None
 1.16A 5vooB-4z0tA:
3.0		 5vooB-4z0tA:
26.11
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.
4z64 PHYTOSULFOKINE
RECEPTOR 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 ASN A 211
GLY A 234
LEU A 243
PHE A 280
ILE A 227
 None
 1.02A 5vooB-4z64A:
undetectable		 5vooB-4z64A:
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.
5by2 PHOSPHOHEPTOSE
ISOMERASE

(Colwellia
psychrerythraea) 		PF13580
(SIS_2) 		5 GLY A  48
LEU A  23
GLY A 144
SER A 119
ILE A 171
 None
 1.16A 5vooB-5by2A:
2.2		 5vooB-5by2A:
20.07
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6s INTEGRIN BETA-2

(Homo sapiens) 		PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		5 GLU B 212
GLY B 213
LEU B 165
GLY B 206
SER B 114
 None
 1.00A 5vooB-5e6sB:
undetectable		 5vooB-5e6sB:
22.00
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.
5ltm PHENYLALANINE
AMMONIA LYASE

(Anabaena) 		no annotation 5 GLY B 329
VAL B 476
LEU B 386
GLY B 380
ILE B 379
 None
 1.12A 5vooB-5ltmB:
undetectable		 5vooB-5ltmB:
22.48
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.
5mmi 50S RIBOSOMAL
PROTEIN L31
PLASTID RIBOSOMAL
PROTEIN UL5C

(Spinacia
oleracea;
Spinacia
oleracea) 		PF01197
(Ribosomal_L31)
PF00281
(Ribosomal_L5)
PF00673
(Ribosomal_L5_C) 		5 GLY F 227
ASP F 154
VAL 0  51
LEU 0  57
PHE 0  79
 None
 1.12A 5vooB-5mmiF:
undetectable		 5vooB-5mmiF:
24.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o30 PUTATIVE
OXIDOREDUCTASE

(Ilumatobacter
coccineus) 		PF13561
(adh_short_C2) 		5 GLY A 261
ASP A 159
GLY A 166
SER A 152
PHE A 253
 None
 1.08A 5vooB-5o30A:
undetectable		 5vooB-5o30A:
24.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oe5 ANTHRANILATE--COA
LIGASE

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		5 VAL A 239
LEU A 243
GLY A 253
SER A 277
ILE A 257
 None
 1.09A 5vooB-5oe5A:
undetectable		 5vooB-5oe5A:
23.15
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.
5ofn DNA PRIMASE SMALL
SUBUNIT PRIS

(Sulfolobus
solfataricus) 		no annotation 5 GLY A 231
VAL A 170
LEU A 266
GLY A 149
ILE A 102
 None
 1.09A 5vooB-5ofnA:
undetectable		 5vooB-5ofnA:
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.
5tnu DNA-DEPENDENT ATPASE
XPBII

(Sulfurisphaera
tokodaii) 		no annotation 5 GLU A 143
GLY A 141
ASP A 144
LEU A 112
GLY A 137
 None
SO4  A 505 ( 4.8A)
None
None
None
 1.07A 5vooB-5tnuA:
undetectable		 5vooB-5tnuA:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5v4b F-BOX/WD
REPEAT-CONTAINING
PROTEIN 7

(Homo sapiens) 		PF00400
(WD40)
PF12937
(F-box-like) 		5 GLU B2569
GLY B2571
LEU B2589
GLY B2551
ILE B2552
 None
 0.89A 5vooB-5v4bB:
undetectable		 5vooB-5v4bB:
20.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 10 GLU A 373
ASN A 376
GLY A 379
LYS A 381
ASP A 411
VAL A 490
LEU A 492
GLY A 570
SER A 572
ILE A 603
 C2F  A3001 (-3.7A)
NA  A3005 (-3.0A)
C2F  A3001 (-3.3A)
None
C2F  A3001 ( 3.8A)
C2F  A3001 ( 4.7A)
None
C2F  A3001 (-3.5A)
C2F  A3001 ( 4.5A)
C2F  A3001 (-3.5A)
 0.57A 5vooB-5vopA:
47.5		 5vooB-5vopA:
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.
5vy3 PROTEASOME SUBUNIT
ALPHA

(Thermoplasma
acidophilum) 		no annotation 6 GLY A 168
LYS A  32
VAL A 229
LEU A 233
GLY A 193
ILE A  49
 None
 1.34A 5vooB-5vy3A:
undetectable		 5vooB-5vy3A:
22.88
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.
5w3j TUBULIN BETA CHAIN

(Saccharomyces
cerevisiae) 		PF00091
(Tubulin)
PF03953
(Tubulin_C) 		5 GLU B 108
GLY B  98
VAL B 116
GLY B  93
SER B  95
 None
GDP  B 501 (-4.4A)
None
None
None
 1.16A 5vooB-5w3jB:
2.3		 5vooB-5w3jB:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z43 AMBP1

(Fischerella
ambigua) 		no annotation 5 GLU A  95
VAL A 126
LEU A 155
SER A 135
PHE A 216
 None
 1.10A 5vooB-5z43A:
undetectable		 5vooB-5z43A:
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.
6gun -

(-) 		no annotation 5 GLY A 104
ASP A  57
LEU A 151
GLY A 158
SER A 181
 None
 1.11A 5vooB-6gunA:
undetectable		 5vooB-6gunA:
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.
1f6y 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Moorella
thermoacetica) 		PF00809
(Pterin_bind) 		4 ASP A  75
ASN A  96
ASP A 160
ARG A 207
 None
 0.48A 5vooB-1f6yA:
29.3		 5vooB-1f6yA:
30.00
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.
1h2u 20 KDA NUCLEAR CAP
BINDING PROTEIN

(Homo sapiens) 		PF00076
(RRM_1) 		4 ASP X 141
ASP X 136
ASN X  46
ARG X 105
 None
 1.35A 5vooB-1h2uX:
undetectable		 5vooB-1h2uX:
18.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rk2 RIBOKINASE

(Escherichia
coli) 		PF00294
(PfkB) 		4 ASP A 255
ASN A  46
ASP A  16
ASN A 108
 RIB  A 311 (-3.1A)
RIB  A 311 (-3.3A)
RIB  A 311 (-2.8A)
None
 1.23A 5vooB-1rk2A:
3.1		 5vooB-1rk2A:
26.41
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.
1ux6 THROMBOSPONDIN-1

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 ASP A 933
ASN A 931
ASP A 874
ASN A 855
 None
 1.49A 5vooB-1ux6A:
undetectable		 5vooB-1ux6A:
19.21
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.
1w6j LANOSTEROL SYNTHASE

(Homo sapiens) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		4 ASP A 497
ASN A 495
ASP A 527
ARG A 639
 None
 1.43A 5vooB-1w6jA:
undetectable		 5vooB-1w6jA:
18.26
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.
2ajr SUGAR KINASE, PFKB
FAMILY

(Thermotoga
maritima) 		PF00294
(PfkB) 		4 ASP A 261
ASN A  44
ASP A  12
ASN A 110
 None
ACT  A 321 (-3.9A)
ACT  A 321 (-3.1A)
None
 1.11A 5vooB-2ajrA:
2.7		 5vooB-2ajrA:
24.28
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ycj 5-METHYLTETRAHYDROFO
LATE CORRINOID/IRON
SULFUR PROTEIN
METHYLTRANSFERASE

(Carboxydothermus
hydrogenoformans) 		PF00809
(Pterin_bind) 		5 ASP A  76
ASN A  97
ASP A 161
ASN A 200
ARG A 208
 C2F  A3000 (-3.4A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 (-3.1A)
C2F  A3000 ( 2.6A)
 0.32A 5vooB-2ycjA:
29.9		 5vooB-2ycjA:
30.13
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.
3cnh HYDROLASE FAMILY
PROTEIN

(Deinococcus
radiodurans) 		PF13419
(HAD_2) 		4 ASN A 169
ASP A   9
ASN A  17
ARG A  24
 None
NA  A 200 ( 2.5A)
None
None
 1.36A 5vooB-3cnhA:
undetectable		 5vooB-3cnhA:
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.
3i3l ALKYLHALIDASE CMLS

(Streptomyces
venezuelae) 		PF04820
(Trp_halogenase) 		4 ASP A 301
ASN A 185
ASP A 233
ARG A 383
 None
 1.39A 5vooB-3i3lA:
undetectable		 5vooB-3i3lA:
21.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		5 ASP A 396
ASN A 452
ASP A 519
ASN A 561
ARG A 573
 THH  A 642 ( 4.7A)
THH  A 642 (-3.0A)
THH  A 642 (-3.4A)
THH  A 642 ( 3.3A)
THH  A 642 (-3.1A)
 1.31A 5vooB-3k13A:
38.9		 5vooB-3k13A:
34.19
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3k13 5-METHYLTETRAHYDROFO
LATE-HOMOCYSTEINE
METHYLTRANSFERASE

(Bacteroides
thetaiotaomicron) 		PF00809
(Pterin_bind) 		5 ASP A 431
ASN A 452
ASP A 519
ASN A 561
ARG A 573
 THH  A 642 (-3.3A)
THH  A 642 (-3.0A)
THH  A 642 (-3.4A)
THH  A 642 ( 3.3A)
THH  A 642 (-3.1A)
 0.25A 5vooB-3k13A:
38.9		 5vooB-3k13A:
34.19
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.
3nr8 PHOSPHATIDYLINOSITOL
-3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		no annotation 4 ASP B 607
ASN B 432
ASP B 717
ASN B 684
 None
 1.30A 5vooB-3nr8B:
undetectable		 5vooB-3nr8B:
21.60
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.
3siu U4/U6 SMALL NUCLEAR
RIBONUCLEOPROTEIN
PRP31

(Homo sapiens) 		PF01798
(Nop) 		4 ASP B 134
ASN B 131
ASN B 198
ARG B 203
 None
 1.47A 5vooB-3siuB:
undetectable		 5vooB-3siuB:
24.76
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.
3u9i MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
C-TERMINAL DOMAIN
PROTEIN

(Roseiflexus sp.
RS-1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 ASP A 256
ASN A 278
ASP A 332
ARG A 187
 SO4  A 374 (-3.1A)
None
None
None
 1.25A 5vooB-3u9iA:
10.8		 5vooB-3u9iA:
26.95
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.
3ubo ADENOSINE KINASE

(Sinorhizobium
meliloti) 		PF00294
(PfkB) 		4 ASP A 278
ASN A  63
ASP A  15
ARG A 195
 ADN  A 353 (-3.3A)
ADN  A 353 (-3.4A)
ADN  A 353 (-2.8A)
None
 0.87A 5vooB-3uboA:
2.1		 5vooB-3uboA:
24.44
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.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		4 ASP A 414
ASP A 537
ASN A 579
ARG A 591
 None
THG  A1652 (-3.4A)
THG  A1652 (-3.1A)
THG  A1652 (-3.0A)
 0.88A 5vooB-4cczA:
38.4		 5vooB-4cczA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ASP A 449
ASN A 470
ASP A 537
ASN A 579
ARG A 585
 THG  A1652 (-3.4A)
THG  A1652 (-3.2A)
THG  A1652 (-3.4A)
THG  A1652 (-3.1A)
THG  A1652 (-3.3A)
 1.22A 5vooB-4cczA:
38.4		 5vooB-4cczA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ccz METHIONINE SYNTHASE

(Homo sapiens) 		PF00809
(Pterin_bind)
PF02574
(S-methyl_trans) 		5 ASP A 449
ASN A 470
ASP A 537
ASN A 579
ARG A 591
 THG  A1652 (-3.4A)
THG  A1652 (-3.2A)
THG  A1652 (-3.4A)
THG  A1652 (-3.1A)
THG  A1652 (-3.0A)
 0.33A 5vooB-4cczA:
38.4		 5vooB-4cczA:
16.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		4 ASP A 276
ASN A  61
ASP A  13
ARG A 193
 ADN  A 500 (-2.8A)
ADN  A 500 (-3.5A)
ADN  A 500 (-2.7A)
None
 0.90A 5vooB-4e3aA:
2.7		 5vooB-4e3aA:
22.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4lrs 4-HYDROXY-2-OXOVALER
ATE ALDOLASE

(Thermomonospora
curvata) 		PF00682
(HMGL-like)
PF07836
(DmpG_comm) 		4 ASP A 331
ASN A  65
ASP A  57
ARG A 149
 None
 1.28A 5vooB-4lrsA:
15.2		 5vooB-4lrsA:
23.16
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.
4o1e DIHYDROPTEROATE
SYNTHASE DHPS

(Desulfitobacterium
hafniense) 		PF00809
(Pterin_bind) 		5 ASP A  76
ASN A  97
ASP A 161
ASN A 199
ARG A 207
 C2F  A3000 (-3.6A)
C2F  A3000 (-3.0A)
C2F  A3000 (-3.5A)
C2F  A3000 ( 4.3A)
None
 0.79A 5vooB-4o1eA:
27.8		 5vooB-4o1eA:
28.26
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.
4tpn PUTATIVE P450-LIKE
PROTEIN

(Streptomyces
scabiei) 		PF00067
(p450) 		4 ASP A  22
ASP A  15
ASN A 335
ARG A 333
 None
 1.45A 5vooB-4tpnA:
undetectable		 5vooB-4tpnA:
24.81
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.
4zhj MG-CHELATASE SUBUNIT
CHLH

(Synechocystis
sp. PCC 6803) 		PF02514
(CobN-Mg_chel)
PF11965
(DUF3479) 		4 ASP A1200
ASP A 926
ASN A 784
ARG A 836
 None
 1.17A 5vooB-4zhjA:
undetectable		 5vooB-4zhjA:
13.75
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.
5dx9 TREHALOSE-6-PHOSPHAT
E PHOSPHATASE

(Cryptococcus
neoformans) 		PF02358
(Trehalose_PPase) 		4 ASP A 214
ASN A  24
ASP A  26
ASN A 178
 T6P  A 402 ( 4.3A)
MG  A 401 ( 2.5A)
T6P  A 402 ( 2.9A)
T6P  A 402 (-3.5A)
 1.25A 5vooB-5dx9A:
undetectable		 5vooB-5dx9A:
24.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5jp6 PUTATIVE
POLYSACCHARIDE
DEACETYLASE

(Bdellovibrio
bacteriovorus) 		PF01522
(Polysacc_deac_1) 		4 ASP A  99
ASN A 101
ASN A 210
ARG A 216
 None
 1.37A 5vooB-5jp6A:
3.5		 5vooB-5jp6A:
24.93
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.
5jy1 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Paraburkholderia
xenovorans) 		PF13561
(adh_short_C2) 		4 ASP A 145
ASN A 157
ASP A 155
ASN A  97
 None
None
EDO  A 303 ( 4.2A)
None
 1.20A 5vooB-5jy1A:
2.2		 5vooB-5jy1A:
23.91
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.
5oko PHOSPHATIDYLINOSITOL
3,4,5-TRISPHOSPHATE
5-PHOSPHATASE 2

(Homo sapiens) 		PF03372
(Exo_endo_phos) 		4 ASP A 607
ASN A 432
ASP A 717
ASN A 684
 None
 1.26A 5vooB-5okoA:
undetectable		 5vooB-5okoA:
20.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vop 5-METHYLTETRAHYDROFO
LATE HOMOCYSTEINE
S-METHYLTRANSFERASE

(Thermus
thermophilus) 		no annotation 5 ASP A 443
ASN A 464
ASP A 531
ASN A 573
ARG A 583
 C2F  A3001 (-2.5A)
C2F  A3001 (-2.2A)
C2F  A3001 (-2.5A)
C2F  A3001 (-2.6A)
C2F  A3001 (-3.0A)
 0.14A 5vooB-5vopA:
47.5		 5vooB-5vopA:
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.
5xb6 UNCHARACTERIZED
PROTEIN YCJY

(Escherichia
coli) 		no annotation 4 ASN A  10
ASP A  92
ASN A  85
ARG A 172
 None
 1.21A 5vooB-5xb6A:
undetectable		 5vooB-5xb6A:
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.
6d0y NUCLEAR CAP-BINDING
PROTEIN SUBUNIT 2

(Homo sapiens) 		no annotation 4 ASP A 141
ASP A 136
ASN A  46
ARG A 105
 None
 1.32A 5vooB-6d0yA:
undetectable		 5vooB-6d0yA:
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.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44

(Homo sapiens) 		no annotation 4 ASP K 488
ASN K 487
ASP K 784
ARG K 624
 A  O  61 ( 3.3A)
A  O  62 ( 3.2A)
None
None
 1.23A 5vooB-6d6qK:
undetectable		 5vooB-6d6qK:
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.
6d6q EXOSOME COMPLEX
EXONUCLEASE RRP44

(Homo sapiens) 		no annotation 4 ASP K 488
ASN K 487
ASP K 784
ASN K 671
 A  O  61 ( 3.3A)
A  O  62 ( 3.2A)
None
None
 1.22A 5vooB-6d6qK:
undetectable		 5vooB-6d6qK:
undetectable