SIMILAR PATTERNS OF AMINO ACIDS FOR 1VPO_H_TESH1010_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1epv ALANINE RACEMASE

(Geobacillus
stearothermophilus) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 SER A 204
ALA A 228
TYR A 354
LEU A 241
VAL A  37
 DCS  A1001 (-1.9A)
None
DCS  A1001 (-4.4A)
None
None
 1.25A 1vpoH-1epvA:
0.0
1vpoL-1epvA:
0.0		 1vpoH-1epvA:
20.90
1vpoL-1epvA:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h2b ALCOHOL
DEHYDROGENASE

(Aeropyrum
pernix) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 ALA A 355
GLY A  52
LEU A 357
PHE A 137
VAL A  61
 None
 1.31A 1vpoH-1h2bA:
undetectable
1vpoL-1h2bA:
0.0		 1vpoH-1h2bA:
19.33
1vpoL-1h2bA:
20.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i8k EPIDERMAL GROWTH
FACTOR RECEPTOR
ANTIBODY MR1SCFV
HEAVY CHAIN
EPIDERMAL GROWTH
FACTOR RECEPTOR
ANTIBODY MR1SCFV
LIGHT CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 SER B 335
TRP B 347
SER B 350
TYR B 359
VAL A  94
 None
 0.65A 1vpoH-1i8kB:
23.0
1vpoL-1i8kB:
14.8		 1vpoH-1i8kB:
39.09
1vpoL-1i8kB:
20.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i9i RECOMBINANT
MONOCLONAL
ANTI-TESTOSTERONE
FAB FRAGMENT HEAVY
CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		6 SER H  35
TRP H  47
SER H  50
TYR H  58
GLY H 104
LEU H 105
 None
 0.40A 1vpoH-1i9iH:
30.3
1vpoL-1i9iH:
15.7		 1vpoH-1i9iH:
97.73
1vpoL-1i9iH:
28.51
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.
1o7d LYSOSOMAL
ALPHA-MANNOSIDASE

(Bos taurus) 		PF07748
(Glyco_hydro_38C) 		5 TYR D 775
ALA D 646
TYR D 644
GLY D 726
LEU D 817
 None
 1.34A 1vpoH-1o7dD:
0.0
1vpoL-1o7dD:
0.0		 1vpoH-1o7dD:
19.80
1vpoL-1o7dD:
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.
1rcq CATABOLIC ALANINE
RACEMASE DADX

(Pseudomonas
aeruginosa) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 SER A 193
ALA A 216
GLY A 215
LEU A 229
VAL A  31
 PLP  A 358 (-2.6A)
None
None
None
PLP  A 358 (-4.4A)
 1.16A 1vpoH-1rcqA:
0.0
1vpoL-1rcqA:
0.0		 1vpoH-1rcqA:
21.37
1vpoL-1rcqA:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1spj KALLIKREIN 1

(Homo sapiens) 		PF00089
(Trypsin) 		5 ALA A 228
GLY A 211
LEU A 199
ARG A 230
VAL A 132
 None
 1.20A 1vpoH-1spjA:
0.0
1vpoL-1spjA:
0.0		 1vpoH-1spjA:
22.31
1vpoL-1spjA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tmf THEILER'S MURINE
ENCEPHALOMYELITIS
VIRUS (SUBUNIT VP3)

(Cardiovirus B) 		PF00073
(Rhv) 		5 SER 3 206
GLY 3 123
LEU 3 196
PHE 3 125
VAL 3 114
 None
 1.24A 1vpoH-1tmf3:
0.9
1vpoL-1tmf3:
1.1		 1vpoH-1tmf3:
21.34
1vpoL-1tmf3:
21.25
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 1
ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 SER A 171
TYR B 137
ALA A 195
GLY A 194
VAL B 158
 None
 1.25A 1vpoH-1tqyA:
undetectable
1vpoL-1tqyA:
undetectable		 1vpoH-1tqyA:
18.35
1vpoL-1tqyA:
16.98
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.
1u10 PENICILLIN-INSENSITI
VE MUREIN
ENDOPEPTIDASE

(Escherichia
coli) 		PF03411
(Peptidase_M74) 		5 SER A 241
TRP A 242
ALA A 237
GLY A 236
PRO A 202
 None
 0.90A 1vpoH-1u10A:
undetectable
1vpoL-1u10A:
undetectable		 1vpoH-1u10A:
20.66
1vpoL-1u10A:
22.55
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.
1v5b 3-ISOPROPYLMALATE
DEHYDROGENASE

(Bacillus
coagulans) 		PF00180
(Iso_dh) 		5 SER A 196
SER A 197
GLY A 139
LEU A 160
VAL A 221
 None
 1.27A 1vpoH-1v5bA:
undetectable
1vpoL-1v5bA:
undetectable		 1vpoH-1v5bA:
19.95
1vpoL-1v5bA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v77 HYPOTHETICAL PROTEIN
PH1877

(Pyrococcus
horikoshii) 		PF01876
(RNase_P_p30) 		5 ALA A 126
TYR A 202
GLY A 128
LEU A 127
PHE A 129
 None
 1.30A 1vpoH-1v77A:
undetectable
1vpoL-1v77A:
undetectable		 1vpoH-1v77A:
21.58
1vpoL-1v77A:
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.
1yqe HYPOTHETICAL UPF0204
PROTEIN AF0625

(Archaeoglobus
fulgidus) 		PF04414
(tRNA_deacylase) 		5 SER A 234
ALA A 106
GLY A  91
LEU A 105
PHE A 214
 None
 1.18A 1vpoH-1yqeA:
undetectable
1vpoL-1yqeA:
undetectable		 1vpoH-1yqeA:
21.75
1vpoL-1yqeA:
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.
2bkw ALANINE-GLYOXYLATE
AMINOTRANSFERASE 1

(Saccharomyces
cerevisiae) 		PF00266
(Aminotran_5) 		5 SER A 307
ALA A 315
GLY A 317
LEU A 318
VAL A 298
 None
 1.29A 1vpoH-2bkwA:
undetectable
1vpoL-2bkwA:
undetectable		 1vpoH-2bkwA:
21.05
1vpoL-2bkwA:
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.
2bol SMALL HEAT SHOCK
PROTEIN

(Taenia saginata) 		PF00011
(HSP20) 		5 ALA A 204
GLY A 202
LEU A 203
ARG A  41
VAL A  35
 None
 1.33A 1vpoH-2bolA:
undetectable
1vpoL-2bolA:
2.4		 1vpoH-2bolA:
20.95
1vpoL-2bolA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bpa PROTEIN (SUBUNIT OF
BACTERIOPHAGE
PHIX174)

(Escherichia
virus phiX174) 		PF02306
(Phage_G) 		5 GLY 2 143
LEU 2  57
PHE 2  94
VAL 2  99
PRO 2 100
 None
 0.87A 1vpoH-2bpa2:
undetectable
1vpoL-2bpa2:
undetectable		 1vpoH-2bpa2:
23.48
1vpoL-2bpa2:
21.76
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.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ALA A 436
GLY A 438
LEU A 437
VAL A 428
PRO A 429
 None
 1.23A 1vpoH-2dpnA:
undetectable
1vpoL-2dpnA:
undetectable		 1vpoH-2dpnA:
17.78
1vpoL-2dpnA:
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.
2f2a GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Staphylococcus
aureus) 		PF01425
(Amidase) 		5 SER A 440
ALA A 183
TYR A 185
GLY A 187
VAL A 276
 None
 1.24A 1vpoH-2f2aA:
undetectable
1vpoL-2f2aA:
undetectable		 1vpoH-2f2aA:
18.97
1vpoL-2f2aA:
18.45
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.
2hyt TETR-FAMILY
TRANSCRIPTIONAL
REGULATOR

(Pectobacterium
atrosepticum) 		PF00440
(TetR_N) 		5 SER A 159
TYR A 157
TYR A  95
LEU A 188
PHE A  88
 None
None
EDO  A 197 (-4.2A)
None
None
 1.32A 1vpoH-2hytA:
undetectable
1vpoL-2hytA:
undetectable		 1vpoH-2hytA:
20.96
1vpoL-2hytA:
19.11
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.
2inf UROPORPHYRINOGEN
DECARBOXYLASE

(Bacillus
subtilis) 		PF01208
(URO-D) 		5 SER A 153
TYR A 154
ALA A 213
GLY A 212
LEU A 214
 None
 1.21A 1vpoH-2infA:
undetectable
1vpoL-2infA:
undetectable		 1vpoH-2infA:
18.11
1vpoL-2infA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2o3i HYPOTHETICAL PROTEIN

(Chromobacterium
violaceum) 		PF06032
(DUF917) 		5 SER A  30
ALA A 111
GLY A  25
LEU A 112
PRO A  71
 None
 1.27A 1vpoH-2o3iA:
undetectable
1vpoL-2o3iA:
undetectable		 1vpoH-2o3iA:
18.66
1vpoL-2o3iA:
19.20
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.
2px0 FLAGELLAR
BIOSYNTHESIS PROTEIN
FLHF

(Bacillus
subtilis) 		PF00448
(SRP54) 		5 SER A 335
ALA A 333
TYR A 296
LEU A 332
PHE A 316
 None
 1.30A 1vpoH-2px0A:
undetectable
1vpoL-2px0A:
undetectable		 1vpoH-2px0A:
23.28
1vpoL-2px0A:
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.
2rjb UNCHARACTERIZED
PROTEIN

(Shigella
flexneri) 		PF07063
(DUF1338) 		5 SER A 129
SER A 108
TYR A  97
ALA A  70
VAL A 391
 None
None
None
ZN  A 501 ( 4.5A)
None
 1.13A 1vpoH-2rjbA:
undetectable
1vpoL-2rjbA:
undetectable		 1vpoH-2rjbA:
18.49
1vpoL-2rjbA:
18.22
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.
2taa TAKA-AMYLASE A

(Aspergillus
oryzae) 		PF00128
(Alpha-amylase)
PF09260
(DUF1966) 		5 TRP A  42
ALA A 102
TYR A 198
LEU A 103
VAL A  65
 None
 1.29A 1vpoH-2taaA:
undetectable
1vpoL-2taaA:
undetectable		 1vpoH-2taaA:
18.60
1vpoL-2taaA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vz9 FATTY ACID SYNTHASE

(Sus scrofa) 		PF00107
(ADH_zinc_N)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF08242
(Methyltransf_12)
PF08659
(KR)
PF14765
(PS-DH)
PF16197
(KAsynt_C_assoc) 		5 SER A1039
TYR A1049
GLY A1098
PHE A1054
PRO A1051
 None
 1.23A 1vpoH-2vz9A:
undetectable
1vpoL-2vz9A:
undetectable		 1vpoH-2vz9A:
6.02
1vpoL-2vz9A:
6.45
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.
2x05 EXO-BETA-D-GLUCOSAMI
NIDASE

(Amycolatopsis
orientalis) 		PF00703
(Glyco_hydro_2)
PF02837
(Glyco_hydro_2_N) 		5 SER A 613
ALA A 592
GLY A 590
LEU A 593
PHE A 606
 None
 1.26A 1vpoH-2x05A:
4.9
1vpoL-2x05A:
5.2		 1vpoH-2x05A:
13.04
1vpoL-2x05A:
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x4l FERRIC-SIDEROPHORE
RECEPTOR PROTEIN

(Streptomyces
coelicolor) 		PF01497
(Peripla_BP_2) 		5 SER A 189
TRP A  53
ALA A 192
VAL A 137
PRO A  69
 None
 1.12A 1vpoH-2x4lA:
undetectable
1vpoL-2x4lA:
undetectable		 1vpoH-2x4lA:
21.39
1vpoL-2x4lA:
20.54
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.
2yoc PULLULANASE

(Klebsiella
oxytoca) 		PF02922
(CBM_48)
PF03714
(PUD)
PF11852
(DUF3372) 		5 TYR A  96
ALA A 158
GLY A 161
VAL A  28
PRO A  26
 None
 1.23A 1vpoH-2yocA:
5.0
1vpoL-2yocA:
undetectable		 1vpoH-2yocA:
10.95
1vpoL-2yocA:
11.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zz8 LIPL32 PROTEIN

(Leptospira
interrogans) 		PF12103
(Lipl32) 		5 SER A 194
TYR A 151
ALA A  60
GLY A  52
PRO A 137
 None
 1.23A 1vpoH-2zz8A:
undetectable
1vpoL-2zz8A:
2.2		 1vpoH-2zz8A:
22.48
1vpoL-2zz8A:
22.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a0u RESPONSE REGULATOR

(Thermotoga
maritima) 		PF00072
(Response_reg) 		5 SER A  91
ALA A  64
GLY A  60
LEU A  61
VAL A  99
 None
 1.31A 1vpoH-3a0uA:
undetectable
1vpoL-3a0uA:
undetectable		 1vpoH-3a0uA:
15.67
1vpoL-3a0uA:
20.36
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ab0 ANTIBODY SCFV
FRAGMENT, HEAVY
CHAIN
ANTIBODY SCFV
FRAGMENT, LIGHT
CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 SER B  35
TRP B  47
SER B  50
GLY B 100
PRO C  96
 None
 1.10A 1vpoH-3ab0B:
22.4
1vpoL-3ab0B:
14.0		 1vpoH-3ab0B:
42.99
1vpoL-3ab0B:
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.
3abz BETA-GLUCOSIDASE I

(Kluyveromyces
marxianus) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF07691
(PA14)
PF14310
(Fn3-like) 		5 SER A 398
TYR A 475
GLY A 553
LEU A 394
PHE A 487
 None
 1.19A 1vpoH-3abzA:
5.0
1vpoL-3abzA:
4.8		 1vpoH-3abzA:
12.85
1vpoL-3abzA:
14.47
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.
3akf PUTATIVE SECRETED
ALPHA
L-ARABINOFURANOSIDAS
E II

(Streptomyces
avermitilis) 		PF04616
(Glyco_hydro_43)
PF05270
(AbfB) 		5 SER A 368
ALA A 362
LEU A 361
PHE A 397
VAL A 386
 None
 1.30A 1vpoH-3akfA:
undetectable
1vpoL-3akfA:
undetectable		 1vpoH-3akfA:
17.17
1vpoL-3akfA:
17.48
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.
3c3j PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE

(Escherichia
coli) 		PF01380
(SIS) 		5 SER A 283
TYR A 291
GLY A 234
LEU A 235
PRO A 261
 None
 1.26A 1vpoH-3c3jA:
undetectable
1vpoL-3c3jA:
undetectable		 1vpoH-3c3jA:
20.10
1vpoL-3c3jA:
19.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3g23 LD-CARBOXYPEPTIDASE
A

(Novosphingobium
aromaticivorans) 		PF02016
(Peptidase_S66) 		5 ALA A 106
TYR A 103
GLY A 107
LEU A 110
PHE A 270
 None
 1.35A 1vpoH-3g23A:
undetectable
1vpoL-3g23A:
undetectable		 1vpoH-3g23A:
23.36
1vpoL-3g23A:
19.72
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.
3h6t GLUTAMATE RECEPTOR 2

(Rattus
norvegicus) 		PF10613
(Lig_chan-Glu_bd) 		5 ALA A 189
GLY A 136
LEU A 191
PHE A 147
VAL A 154
 None
 1.34A 1vpoH-3h6tA:
undetectable
1vpoL-3h6tA:
undetectable		 1vpoH-3h6tA:
20.36
1vpoL-3h6tA:
23.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 TYR A 304
ALA A 159
LEU A 164
PHE A 312
VAL A 249
 None
 1.34A 1vpoH-3ho8A:
undetectable
1vpoL-3ho8A:
2.9		 1vpoH-3ho8A:
11.53
1vpoL-3ho8A:
12.28
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.
3hpk PRKCA-BINDING
PROTEIN,9-MER
PEPTIDE OF THE GLUR2
SUBUNIT

(Rattus
norvegicus;
synthetic
construct) 		PF00595
(PDZ) 		5 ALA A  65
TYR A 101
GLY A  67
LEU A 111
VAL A  19
 None
 1.18A 1vpoH-3hpkA:
undetectable
1vpoL-3hpkA:
undetectable		 1vpoH-3hpkA:
20.00
1vpoL-3hpkA:
19.25
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.
3hxs THIOREDOXIN

(Bacteroides
fragilis) 		PF00085
(Thioredoxin) 		5 TYR A  48
TYR A  87
LEU A  97
PHE A  58
VAL A 112
 None
 1.08A 1vpoH-3hxsA:
undetectable
1vpoL-3hxsA:
undetectable		 1vpoH-3hxsA:
20.37
1vpoL-3hxsA:
17.81
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.
3ifu NON-STRUCTURAL
PROTEIN

(Porcine
reproductive
and respiratory
syndrome virus) 		PF05410
(Peptidase_C31) 		5 SER A  79
SER A 148
TYR A 141
ALA A  19
GLY A  21
 None
 1.05A 1vpoH-3ifuA:
undetectable
1vpoL-3ifuA:
undetectable		 1vpoH-3ifuA:
19.73
1vpoL-3ifuA:
21.24
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.
3m7h PUTIDACIN L1

(Pseudomonas
putida) 		PF01453
(B_lectin) 		5 SER A 127
ALA A 129
LEU A 241
VAL A  16
PRO A 141
 None
 1.32A 1vpoH-3m7hA:
undetectable
1vpoL-3m7hA:
undetectable		 1vpoH-3m7hA:
23.34
1vpoL-3m7hA:
22.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mos TRANSKETOLASE

(Homo sapiens) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 435
TYR A 563
GLY A 567
LEU A 434
VAL A 419
 None
EDO  A   2 (-4.5A)
None
None
None
 1.23A 1vpoH-3mosA:
undetectable
1vpoL-3mosA:
undetectable		 1vpoH-3mosA:
16.29
1vpoL-3mosA:
16.72
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.
3ot6 ENOYL-COA
HYDRATASE/ISOMERASE
FAMILY PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		PF00378
(ECH_1) 		5 SER A 156
ALA A 171
GLY A 172
LEU A 148
VAL A 103
 None
 0.91A 1vpoH-3ot6A:
undetectable
1vpoL-3ot6A:
undetectable		 1vpoH-3ot6A:
21.43
1vpoL-3ot6A:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3q6g HEAVY CHAIN OF FAB
OF RHESUS MAB 2.5B

(Macaca mulatta) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H  35
TRP H  47
TYR H 100
GLY H 100
LEU H 100
 None
 0.80A 1vpoH-3q6gH:
20.0
1vpoL-3q6gH:
14.4		 1vpoH-3q6gH:
54.62
1vpoL-3q6gH:
26.56
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.
3rgw MEMBRANE-BOUND
HYDROGENASE (NIFE)
LARGE SUBUNIT HOXG

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases) 		5 TYR L 192
ALA L 290
TYR L 287
GLY L 291
VAL L 585
 None
 1.29A 1vpoH-3rgwL:
undetectable
1vpoL-3rgwL:
undetectable		 1vpoH-3rgwL:
17.58
1vpoL-3rgwL:
15.91
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.
3sfw DIHYDROPYRIMIDINASE

(Brevibacillus
agri) 		PF01979
(Amidohydro_1) 		5 ALA A 391
GLY A 434
LEU A 431
PHE A 436
VAL A  42
 None
 1.13A 1vpoH-3sfwA:
undetectable
1vpoL-3sfwA:
undetectable		 1vpoH-3sfwA:
18.71
1vpoL-3sfwA:
18.89
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uzv ANTI-DENGUE MAB 4E11

(Mus musculus) 		PF07686
(V-set) 		5 TRP B  48
SER B  36
TYR B  34
GLY B 103
VAL B 230
 None
 1.28A 1vpoH-3uzvB:
19.8
1vpoL-3uzvB:
21.6		 1vpoH-3uzvB:
34.11
1vpoL-3uzvB:
21.08
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.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 SER A 675
ALA A 166
GLY A 165
LEU A 167
PRO A 672
 None
 1.31A 1vpoH-3v8xA:
undetectable
1vpoL-3v8xA:
undetectable		 1vpoH-3v8xA:
14.27
1vpoL-3v8xA:
13.19
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.
3vqr PUTATIVE
OXIDOREDUCTASE

(Aeropyrum
pernix) 		PF01266
(DAO) 		5 ALA A 138
GLY A 142
LEU A 141
VAL A  91
PRO A 285
 None
 1.20A 1vpoH-3vqrA:
undetectable
1vpoL-3vqrA:
undetectable		 1vpoH-3vqrA:
18.54
1vpoL-3vqrA:
19.48
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.
4c4o CARBONYL REDUCTASE
CPCR2

(Candida
parapsilosis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 178
LEU A 176
PHE A 237
VAL A 156
PRO A 159
 NAD  A1000 (-3.6A)
None
None
None
None
 1.13A 1vpoH-4c4oA:
undetectable
1vpoL-4c4oA:
undetectable		 1vpoH-4c4oA:
21.07
1vpoL-4c4oA:
20.24
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4fz8 FAB HEAVY CHAIN OF
HUMAN ANTI-HIV-1 ENV
ANTIBODY C11

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 TRP H  47
SER H  50
TYR H  58
ALA H  95
GLY H 100
 None
 1.00A 1vpoH-4fz8H:
20.8
1vpoL-4fz8H:
13.7		 1vpoH-4fz8H:
63.56
1vpoL-4fz8H:
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.
4g1p CYS-GLY
METALLODIPEPTIDASE
DUG1

(Saccharomyces
cerevisiae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 TYR A 471
LEU A   5
PHE A 152
VAL A 161
PRO A 160
 None
 1.25A 1vpoH-4g1pA:
undetectable
1vpoL-4g1pA:
undetectable		 1vpoH-4g1pA:
18.67
1vpoL-4g1pA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g1p CYS-GLY
METALLODIPEPTIDASE
DUG1

(Saccharomyces
cerevisiae) 		PF01546
(Peptidase_M20)
PF07687
(M20_dimer) 		5 TYR A 475
LEU A   5
PHE A 152
VAL A 161
PRO A 160
 None
 1.34A 1vpoH-4g1pA:
undetectable
1vpoL-4g1pA:
undetectable		 1vpoH-4g1pA:
18.67
1vpoL-4g1pA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ija XYLR PROTEIN

(Staphylococcus
aureus) 		PF00480
(ROK)
PF01047
(MarR) 		5 TYR A 196
ALA A 184
TYR A 312
GLY A 211
PRO A 308
 GOL  A 504 (-4.5A)
None
None
K  A 507 ( 4.3A)
None
 1.19A 1vpoH-4ijaA:
undetectable
1vpoL-4ijaA:
undetectable		 1vpoH-4ijaA:
19.02
1vpoL-4ijaA:
19.65
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.
4inw PHEROMONE-BINDING
PROTEIN 1

(Amyelois
transitella) 		PF01395
(PBP_GOBP) 		5 ALA A  15
GLY A  13
LEU A  16
PHE A  33
VAL A 111
 None
None
None
None
1EY  A 201 (-4.0A)
 1.21A 1vpoH-4inwA:
undetectable
1vpoL-4inwA:
undetectable		 1vpoH-4inwA:
18.40
1vpoL-4inwA:
20.57
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.
4kwg ALDEHYDE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF00171
(Aldedh) 		5 SER A 273
ALA A 448
GLY A 449
LEU A 427
PHE A 465
 None
 1.26A 1vpoH-4kwgA:
undetectable
1vpoL-4kwgA:
undetectable		 1vpoH-4kwgA:
17.73
1vpoL-4kwgA:
17.96
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.
4lih GAMMA-GLUTAMYL-GAMMA
-AMINOBUTYRALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 SER A 271
ALA A 447
GLY A 448
LEU A 426
PHE A 465
 None
None
None
None
MES  A 501 ( 4.9A)
 1.32A 1vpoH-4lihA:
undetectable
1vpoL-4lihA:
undetectable		 1vpoH-4lihA:
17.30
1vpoL-4lihA:
18.29
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m1g MURINE IGG2A A27D7
HEAVY CHAIN FAB
DOMAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 SER H  35
TRP H  47
TYR H  58
GLY H 104
LEU H 105
 None
 0.80A 1vpoH-4m1gH:
27.9
1vpoL-4m1gH:
15.9		 1vpoH-4m1gH:
65.45
1vpoL-4m1gH:
25.53
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.
4mlc EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfitobacterium
hafniense) 		PF13458
(Peripla_BP_6) 		5 ALA A  30
GLY A  26
LEU A  27
PHE A  23
PRO A 101
 None
 0.99A 1vpoH-4mlcA:
undetectable
1vpoL-4mlcA:
undetectable		 1vpoH-4mlcA:
20.56
1vpoL-4mlcA:
18.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mnm CHITINASE A

(Cycas revoluta) 		PF00704
(Glyco_hydro_18) 		5 SER A 102
ALA A  35
GLY A  75
LEU A  37
PHE A  85
 None
None
SO4  A 404 ( 4.8A)
SO4  A 404 (-4.0A)
None
 1.21A 1vpoH-4mnmA:
undetectable
1vpoL-4mnmA:
undetectable		 1vpoH-4mnmA:
22.35
1vpoL-4mnmA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nko ENGINEERED SCFV
HEAVY CHAIN
ENGINEERED SCFV
LIGHT CHAIN

(Mus musculus) 		PF07686
(V-set) 		5 TRP B  47
ALA B 107
PHE A  94
VAL A  99
PRO A 101
 None
 0.78A 1vpoH-4nkoB:
17.2
1vpoL-4nkoB:
13.5		 1vpoH-4nkoB:
28.77
1vpoL-4nkoB:
20.98
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.
4o3x TRANSFERRIN BINDING
PROTEIN B

(Actinobacillus
pleuropneumoniae) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		5 TYR B 162
GLY B 177
LEU B 178
PHE B 245
PRO B 160
 None
 1.25A 1vpoH-4o3xB:
undetectable
1vpoL-4o3xB:
undetectable		 1vpoH-4o3xB:
23.69
1vpoL-4o3xB:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4o5h PHENYLACETALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 SER A 280
ALA A 455
GLY A 456
LEU A 434
PHE A 472
 None
 1.28A 1vpoH-4o5hA:
undetectable
1vpoL-4o5hA:
undetectable		 1vpoH-4o5hA:
19.25
1vpoL-4o5hA:
18.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4oli NON-RECEPTOR
TYROSINE-PROTEIN
KINASE TYK2

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 SER A 580
GLY A 984
LEU A 983
ARG A 901
VAL A 673
 None
2TT  A1202 (-3.4A)
None
2TT  A1202 ( 4.8A)
None
 1.26A 1vpoH-4oliA:
undetectable
1vpoL-4oliA:
undetectable		 1vpoH-4oliA:
18.15
1vpoL-4oliA:
16.38
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.
4pxl CYTOSOLIC ALDEHYDE
DEHYDROGENASE RF2C

(Zea mays) 		PF00171
(Aldedh) 		5 SER A 274
ALA A 449
GLY A 450
LEU A 428
PHE A 466
 EDO  A 604 (-3.1A)
EDO  A 604 ( 3.7A)
None
CSO  A 303 (-4.5A)
None
 1.29A 1vpoH-4pxlA:
undetectable
1vpoL-4pxlA:
undetectable		 1vpoH-4pxlA:
19.36
1vpoL-4pxlA:
17.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4pz2 ZMALDH

(Zea mays) 		PF00171
(Aldedh) 		5 SER A 288
ALA A 466
GLY A 467
LEU A 445
PHE A 483
 None
None
None
NAD  A 603 (-4.5A)
EDO  A 604 (-3.8A)
 1.25A 1vpoH-4pz2A:
undetectable
1vpoL-4pz2A:
undetectable		 1vpoH-4pz2A:
17.76
1vpoL-4pz2A:
15.94
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.
4qhr ALANINE RACEMASE

(Acinetobacter
baumannii) 		PF00842
(Ala_racemase_C)
PF01168
(Ala_racemase_N) 		5 SER A 194
ALA A 217
TYR A  38
GLY A 216
LEU A 230
 LLP  A  34 ( 2.4A)
None
LLP  A  34 ( 4.5A)
None
None
 1.04A 1vpoH-4qhrA:
undetectable
1vpoL-4qhrA:
undetectable		 1vpoH-4qhrA:
18.51
1vpoL-4qhrA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qyj ALDEHYDE
DEHYDROGENASE

(Pseudomonas
putida) 		PF00171
(Aldedh) 		5 SER A 272
ALA A 449
GLY A 450
LEU A 428
PHE A 466
 None
 1.19A 1vpoH-4qyjA:
undetectable
1vpoL-4qyjA:
undetectable		 1vpoH-4qyjA:
18.92
1vpoL-4qyjA:
17.60
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.
4rkm MCCA

(Wolinella
succinogenes) 		no annotation 5 SER A 294
TYR A 301
ALA A 287
TYR A 285
GLY A 238
 None
HEM  A 807 ( 3.8A)
None
SO2  A 814 (-4.8A)
None
 1.27A 1vpoH-4rkmA:
undetectable
1vpoL-4rkmA:
undetectable		 1vpoH-4rkmA:
14.34
1vpoL-4rkmA:
15.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rl3 CHITINASE A

(Pteris
ryukyuensis) 		PF00704
(Glyco_hydro_18) 		5 TYR A 308
ALA A 133
TYR A 130
GLY A 132
LEU A 134
 ACT  A 403 (-4.5A)
EDO  A 401 (-3.3A)
ACT  A 403 (-3.9A)
EDO  A 401 (-4.1A)
EDO  A 401 (-4.0A)
 1.23A 1vpoH-4rl3A:
undetectable
1vpoL-4rl3A:
undetectable		 1vpoH-4rl3A:
23.18
1vpoL-4rl3A:
22.26
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.
4ur2 TETRACHLOROETHENE
REDUCTIVE
DEHALOGENASE
CATALYTIC SUBUNIT
PCEA

(Sulfurospirillum
multivorans) 		PF13484
(Fer4_16)
PF13486
(Dehalogenase) 		5 ALA A 221
GLY A 222
LEU A 158
ARG A 248
PHE A 300
 None
 1.20A 1vpoH-4ur2A:
undetectable
1vpoL-4ur2A:
undetectable		 1vpoH-4ur2A:
18.86
1vpoL-4ur2A:
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.
4wdr HALOALKANE
DEHALOGENASE

(Sphingobium
japonicum) 		PF00561
(Abhydrolase_1) 		5 TYR A  82
ALA A 133
LEU A 248
VAL A 220
PRO A 212
 None
 0.90A 1vpoH-4wdrA:
undetectable
1vpoL-4wdrA:
undetectable		 1vpoH-4wdrA:
22.52
1vpoL-4wdrA:
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.
4wlp UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE ISOZYME L5

(Homo sapiens) 		PF01088
(Peptidase_C12) 		5 SER A 198
ALA A 190
GLY A 189
LEU A 175
PRO A 202
 None
 1.27A 1vpoH-4wlpA:
undetectable
1vpoL-4wlpA:
undetectable		 1vpoH-4wlpA:
20.38
1vpoL-4wlpA:
21.08
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.
4xv0 BETA-XYLANASE

(Trichoderma
reesei) 		PF00331
(Glyco_hydro_10) 		5 SER A 253
SER A 251
GLY A 260
LEU A 255
VAL A 229
 None
 1.18A 1vpoH-4xv0A:
undetectable
1vpoL-4xv0A:
undetectable		 1vpoH-4xv0A:
20.90
1vpoL-4xv0A:
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.
4ywe PUTATIVE ALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 SER A 253
ALA A 430
GLY A 431
LEU A 409
PHE A 448
 None
 1.26A 1vpoH-4yweA:
undetectable
1vpoL-4yweA:
undetectable		 1vpoH-4yweA:
17.28
1vpoL-4yweA:
18.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5aam SCFV513

(Mus musculus) 		PF07686
(V-set) 		5 TRP A  47
SER A  35
TYR A  33
GLY A 102
VAL A 230
 None
 1.32A 1vpoH-5aamA:
20.0
1vpoL-5aamA:
21.6		 1vpoH-5aamA:
33.73
1vpoL-5aamA:
24.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 SER A 148
ALA A 471
GLY A 468
LEU A 469
PHE A 465
 None
 1.30A 1vpoH-5chcA:
undetectable
1vpoL-5chcA:
undetectable		 1vpoH-5chcA:
12.54
1vpoL-5chcA:
14.20
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.
5dqn CYTOCHROME P450
CYP125

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		5 SER A 323
GLY A 396
LEU A  13
VAL A  24
PRO A  23
 None
PO4  A 502 (-3.7A)
None
None
None
 1.18A 1vpoH-5dqnA:
undetectable
1vpoL-5dqnA:
undetectable		 1vpoH-5dqnA:
19.85
1vpoL-5dqnA:
18.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5elp NRPS/PKS PROTEIN

(Bacillus
amyloliquefaciens) 		no annotation 5 SER C 184
GLY C 247
LEU C 358
PHE C  21
VAL C 251
 None
 1.14A 1vpoH-5elpC:
undetectable
1vpoL-5elpC:
undetectable		 1vpoH-5elpC:
16.34
1vpoL-5elpC:
14.70
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.
5fp2 FERRIC ENTEROBACTIN
RECEPTOR PIRA

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 SER A 446
TYR A 414
ALA A 138
TYR A 142
GLY A 136
 None
 1.24A 1vpoH-5fp2A:
undetectable
1vpoL-5fp2A:
undetectable		 1vpoH-5fp2A:
16.30
1vpoL-5fp2A:
16.84
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5grv HOMO-SPECIFIC
DIABODY HEAVY CHAIN
HOMO-SPECIFIC
DIABODY LIGHT CHAIN

(Homo sapiens) 		PF07686
(V-set) 		5 TRP L  46
SER L  49
TYR L  58
GLY L 100
PRO K 220
 None
 1.16A 1vpoH-5grvL:
22.3
1vpoL-5grvL:
14.3		 1vpoH-5grvL:
54.27
1vpoL-5grvL:
24.12
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.
5gtk BETAINE-ALDEHYDE
DEHYDROGENASE

(Bacillus cereus) 		PF00171
(Aldedh) 		5 SER A 271
ALA A 446
GLY A 447
LEU A 425
PHE A 463
 None
 1.30A 1vpoH-5gtkA:
undetectable
1vpoL-5gtkA:
undetectable		 1vpoH-5gtkA:
17.80
1vpoL-5gtkA:
19.65
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.
5hwq HYDROXYMETHYLGLUTARY
L-COA SYNTHASE

(Myxococcus
xanthus) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 TYR A 349
ALA A 318
TYR A 316
GLY A 321
LEU A 322
 None
 1.23A 1vpoH-5hwqA:
undetectable
1vpoL-5hwqA:
undetectable		 1vpoH-5hwqA:
20.00
1vpoL-5hwqA:
17.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ikz OXALATE BIOSYNTHETIC
COMPONENT 1

(Burkholderia
thailandensis) 		PF05853
(BKACE) 		5 SER A 872
SER A 869
ALA A 939
GLY A 937
VAL A 847
 None
 1.24A 1vpoH-5ikzA:
undetectable
1vpoL-5ikzA:
undetectable		 1vpoH-5ikzA:
12.83
1vpoL-5ikzA:
11.22
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.
5iuw ALDEHYDE
DEHYDROGENASE FAMILY
PROTEIN

(Pseudomonas
syringae group
genomosp. 3) 		no annotation 5 SER A 272
ALA A 450
GLY A 451
LEU A 429
PHE A 467
 None
None
None
NAD  A 700 (-4.5A)
IAC  A 701 (-4.5A)
 1.28A 1vpoH-5iuwA:
undetectable
1vpoL-5iuwA:
undetectable		 1vpoH-5iuwA:
17.35
1vpoL-5iuwA:
19.96
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.
5jn9 CARBONIC ANHYDRASE 4

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 TYR A 194
GLY A  83
LEU A  84
PHE A  47
VAL A 211
 None
 1.32A 1vpoH-5jn9A:
undetectable
1vpoL-5jn9A:
undetectable		 1vpoH-5jn9A:
23.97
1vpoL-5jn9A:
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.
5k3j ACYL-COENZYME A
OXIDASE

(Caenorhabditis
elegans) 		PF01756
(ACOX)
PF02770
(Acyl-CoA_dh_M)
PF14749
(Acyl-CoA_ox_N) 		5 ALA A 305
TYR A 350
GLY A 301
LEU A 302
VAL A  31
 None
 1.12A 1vpoH-5k3jA:
undetectable
1vpoL-5k3jA:
undetectable		 1vpoH-5k3jA:
16.82
1vpoL-5k3jA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kta FDHC

(Acinetobacter
nosocomialis) 		PF13302
(Acetyltransf_3) 		5 TYR A  65
ALA A 118
GLY A 119
LEU A 123
PHE A  85
 DMS  A 204 (-4.5A)
None
None
None
None
 1.17A 1vpoH-5ktaA:
undetectable
1vpoL-5ktaA:
undetectable		 1vpoH-5ktaA:
20.09
1vpoL-5ktaA:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5med ARACHIDONATE
15-LIPOXYGENASE

(Cyanothece sp.
PCC 8801) 		PF00305
(Lipoxygenase) 		5 ALA A 496
LEU A 500
PHE A  90
VAL A  98
PRO A  96
 None
 1.28A 1vpoH-5medA:
undetectable
1vpoL-5medA:
undetectable		 1vpoH-5medA:
14.04
1vpoL-5medA:
16.38
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.
5mgy FAD:PROTEIN FMN
TRANSFERASE

(Pseudomonas
stutzeri) 		no annotation 5 SER H 292
ALA H 112
TYR H 188
GLY H 113
LEU H 116
 None
 1.34A 1vpoH-5mgyH:
undetectable
1vpoL-5mgyH:
undetectable		 1vpoH-5mgyH:
24.54
1vpoL-5mgyH:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u81 ACID CERAMIDASE
ISOFORM B

(Heterocephalus
glaber) 		no annotation 5 TYR A 137
ALA A 201
GLY A 213
LEU A 257
ARG A 159
 None
 1.15A 1vpoH-5u81A:
undetectable
1vpoL-5u81A:
undetectable		 1vpoH-5u81A:
15.38
1vpoL-5u81A:
14.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wee VENOM ALLERGEN LIKE
PROTEIN 4

(Heligmosomoides
polygyrus) 		no annotation 5 TYR A  80
ALA A  96
GLY A  95
LEU A  98
PHE A  19
 None
 1.30A 1vpoH-5weeA:
undetectable
1vpoL-5weeA:
undetectable		 1vpoH-5weeA:
14.42
1vpoL-5weeA:
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.
5wel CHIMERA OF GLUTAMATE
RECEPTOR 2, GERM
CELL-SPECIFIC GENE
1-LIKE PROTEIN

(Mus musculus;
Rattus
norvegicus) 		PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF07803
(GSG-1)
PF10613
(Lig_chan-Glu_bd) 		5 ALA A 701
GLY A 648
LEU A 703
PHE A 659
VAL A 666
 None
 1.11A 1vpoH-5welA:
undetectable
1vpoL-5welA:
undetectable		 1vpoH-5welA:
11.90
1vpoL-5welA:
12.16
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.
5wt3 TRNA
(GUANINE(37)-N1)-MET
HYLTRANSFERASE TRM5A

(Pyrococcus
abyssi) 		no annotation 5 TYR A 282
ALA A 192
TYR A 197
GLY A 193
ARG A 174
 None
None
None
MTA  A 401 (-3.6A)
None
 1.33A 1vpoH-5wt3A:
undetectable
1vpoL-5wt3A:
undetectable		 1vpoH-5wt3A:
15.38
1vpoL-5wt3A:
14.93
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.
5x41 COBALT TRANSPORT
PROTEIN CBIM

(Rhodobacter
capsulatus) 		no annotation 5 ALA M 151
TYR M 153
GLY M 148
LEU M 147
PHE M 146
 None
 1.27A 1vpoH-5x41M:
undetectable
1vpoL-5x41M:
undetectable		 1vpoH-5x41M:
22.76
1vpoL-5x41M:
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.
5xsx CHITINASE

(Thermococcus
chitonophagus) 		no annotation 5 TYR A 655
ALA A 514
GLY A 510
LEU A 511
PHE A 507
 CTO  A1001 (-3.8A)
None
None
None
None
 1.20A 1vpoH-5xsxA:
2.5
1vpoL-5xsxA:
2.8		 1vpoH-5xsxA:
19.14
1vpoL-5xsxA:
18.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5zqz TRIFUNCTIONAL ENZYME
SUBUNIT ALPHA,
MITOCHONDRIAL

(Homo sapiens) 		no annotation 5 TYR A 546
ALA A 552
GLY A 612
LEU A 603
PHE A 607
 None
 1.22A 1vpoH-5zqzA:
undetectable
1vpoL-5zqzA:
undetectable		 1vpoH-5zqzA:
18.52
1vpoL-5zqzA:
17.43
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.
6az1 RIBOSOMAL PROTEIN S5

(Leishmania
donovani) 		no annotation 5 SER F 212
ALA F 178
GLY F 172
VAL F 195
PRO F 196
 C  1   4 ( 3.7A)
None
None
None
None
 1.31A 1vpoH-6az1F:
undetectable
1vpoL-6az1F:
undetectable		 1vpoH-6az1F:
14.16
1vpoL-6az1F:
16.13
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.
6b5i RETINAL
DEHYDROGENASE 2

(Homo sapiens) 		no annotation 5 SER A 291
ALA A 466
GLY A 467
LEU A 445
PHE A 483
 None
None
None
None
CU4  A 601 (-4.2A)
 1.22A 1vpoH-6b5iA:
undetectable
1vpoL-6b5iA:
undetectable		 1vpoH-6b5iA:
13.49
1vpoL-6b5iA:
21.94
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.
6c0e ISOCITRATE
DEHYDROGENASE

(Legionella
pneumophila) 		no annotation 5 SER A 361
ALA A 320
GLY A 324
PHE A 399
VAL A 357
 None
None
None
None
EE1  A 501 (-4.0A)
 1.19A 1vpoH-6c0eA:
undetectable
1vpoL-6c0eA:
undetectable		 1vpoH-6c0eA:
14.98
1vpoL-6c0eA:
16.04