SIMILAR PATTERNS OF AMINO ACIDS FOR 4JTR_A_IBPA401_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.
1f5n INTERFERON-INDUCED
GUANYLATE-BINDING
PROTEIN 1

(Homo sapiens) 		PF02263
(GBP)
PF02841
(GBP_C) 		4 TYR A 128
VAL A 145
LEU A 202
LEU A 206
 None
 0.90A 4jtrA-1f5nA:
undetectable		 4jtrA-1f5nA:
19.33
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.
1faf LARGE T ANTIGEN

(Mus musculus
polyomavirus 1) 		no annotation 4 TRP A  59
TRP A  24
LEU A  23
LEU A  19
 None
 0.90A 4jtrA-1fafA:
undetectable		 4jtrA-1fafA:
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.
1gve AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 3

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		4 VAL A  44
TYR A  45
HIS A 109
LEU A 227
 None
CIT  A1331 ( 4.6A)
CIT  A1331 (-4.0A)
None
 1.03A 4jtrA-1gveA:
23.4		 4jtrA-1gveA:
27.98
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.
1jmu PROTEIN MU-1

(Reovirus sp.) 		PF05993
(Reovirus_M2) 		4 TYR B 137
VAL B 175
TYR B 174
LEU A  36
 None
 0.97A 4jtrA-1jmuB:
undetectable		 4jtrA-1jmuB:
19.60
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.
1ltd FLAVOCYTOCHROME B2

(Saccharomyces
cerevisiae) 		PF00173
(Cyt-b5)
PF01070
(FMN_dh) 		4 TYR A  97
HIS A  66
LEU A 202
LEU A 199
 HEM  A 560 (-4.0A)
HEM  A 560 (-3.3A)
None
HEM  A 560 (-4.1A)
 1.09A 4jtrA-1ltdA:
5.2		 4jtrA-1ltdA:
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.
1mox EPIDERMAL GROWTH
FACTOR RECEPTOR

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain) 		4 VAL A 124
TRP A 140
LEU A  80
LEU A 116
 None
 1.09A 4jtrA-1moxA:
undetectable		 4jtrA-1moxA:
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.
1nub BASEMENT MEMBRANE
PROTEIN BM-40

(Homo sapiens) 		PF00050
(Kazal_1)
PF09289
(FOLN)
PF10591
(SPARC_Ca_bdg) 		4 VAL A 157
TRP A 153
LEU A 221
LEU A 238
 None
 1.03A 4jtrA-1nubA:
undetectable		 4jtrA-1nubA:
21.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1q5m PROSTAGLANDIN-E2
9-REDUCTASE

(Oryctolagus
cuniculus) 		PF00248
(Aldo_ket_red) 		4 TYR A  24
TYR A  55
TRP A  86
HIS A 117
 None
NDP  A1003 (-4.9A)
None
NDP  A1003 (-4.3A)
 0.33A 4jtrA-1q5mA:
52.2		 4jtrA-1q5mA:
78.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1qwk ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C1

(Caenorhabditis
elegans) 		PF00248
(Aldo_ket_red) 		4 VAL A  51
TYR A  52
TRP A  83
HIS A 114
 None
 0.24A 4jtrA-1qwkA:
41.2		 4jtrA-1qwkA:
39.88
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.
1sra SPARC

(Homo sapiens) 		PF10591
(SPARC_Ca_bdg) 		4 VAL A 157
TRP A 153
LEU A 221
LEU A 238
 None
 1.02A 4jtrA-1sraA:
undetectable		 4jtrA-1sraA:
17.99
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.
1tg5 4-HYDROXYPHENYLPYRUV
ATE DIOXYGENASE

(Arabidopsis
thaliana) 		PF00903
(Glyoxalase) 		4 TYR A 168
VAL A  23
LEU A 160
LEU A 258
 None
 1.04A 4jtrA-1tg5A:
undetectable		 4jtrA-1tg5A:
22.79
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.
1ux6 THROMBOSPONDIN-1

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C) 		4 VAL A1008
TYR A1011
LEU A1058
LEU A1062
 None
 1.07A 4jtrA-1ux6A:
undetectable		 4jtrA-1ux6A:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v9l GLUTAMATE
DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		4 TYR A  28
HIS A  61
LEU A 408
LEU A  92
 None
 1.04A 4jtrA-1v9lA:
undetectable		 4jtrA-1v9lA:
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.
1wb8 SUPEROXIDE DISMUTASE
[FE]

(Sulfolobus
solfataricus) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 TYR A 176
VAL A 188
TYR A 187
LEU A 130
 None
 1.05A 4jtrA-1wb8A:
undetectable		 4jtrA-1wb8A:
20.81
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.
1ysp TRANSCRIPTIONAL
REGULATOR KDGR

(Escherichia
coli) 		PF01614
(IclR) 		4 VAL A  81
TYR A  83
LEU A 101
LEU A  66
 None
 1.04A 4jtrA-1yspA:
undetectable		 4jtrA-1yspA:
21.10
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2bgs ALDOSE REDUCTASE

(Hordeum vulgare) 		PF00248
(Aldo_ket_red) 		4 TYR A  60
TRP A  90
HIS A 121
LEU A 295
 BCT  A1322 ( 4.4A)
None
BCT  A1322 ( 3.9A)
NDP  A1321 (-4.8A)
 0.70A 4jtrA-2bgsA:
40.0		 4jtrA-2bgsA:
32.97
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.
2clp AFLATOXIN B1
ALDEHYDE REDUCTASE
MEMBER 3

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 VAL A  77
TYR A  78
HIS A 142
TRP A 257
 None
NDP  A1361 (-4.9A)
NDP  A1361 (-3.7A)
None
 0.87A 4jtrA-2clpA:
23.5		 4jtrA-2clpA:
27.70
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.
2dpn GLYCEROL KINASE

(Thermus
thermophilus) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		4 VAL A 316
TRP A 312
LEU A 363
LEU A 360
 None
 0.96A 4jtrA-2dpnA:
undetectable		 4jtrA-2dpnA:
21.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2fvl ALDO-KETO REDUCTASE
FAMILY 1, MEMBER C4

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 TYR A  24
TYR A  55
TRP A  86
HIS A 117
 None
NAP  A1001 (-4.7A)
None
NAP  A1001 (-4.4A)
 0.15A 4jtrA-2fvlA:
51.9		 4jtrA-2fvlA:
81.73
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.
2gaf POLY(A) POLYMERASE
CATALYTIC SUBUNIT

(Vaccinia virus) 		PF03296
(Pox_polyA_pol)
PF12629
(Pox_polyA_pol_C)
PF12630
(Pox_polyA_pol_N) 		4 TYR D 315
HIS D 320
LEU D 283
LEU D 439
 None
 1.10A 4jtrA-2gafD:
undetectable		 4jtrA-2gafD:
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.
2gee HYPOTHETICAL PROTEIN

(Homo sapiens) 		PF00041
(fn3) 		4 TYR A 166
TRP A 114
LEU A 100
LEU A 112
 None
 1.04A 4jtrA-2geeA:
undetectable		 4jtrA-2geeA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hak SERINE/THREONINE-PRO
TEIN KINASE MARK1

(Homo sapiens) 		PF00069
(Pkinase)
PF00627
(UBA) 		4 VAL A 172
TYR A 226
HIS A 167
LEU A 236
 None
 1.02A 4jtrA-2hakA:
undetectable		 4jtrA-2hakA:
23.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipf (3(17)ALPHA-HYDROXYS
TEROID
DEHYDROGENASE)

(Mus musculus) 		PF00248
(Aldo_ket_red) 		4 VAL A  54
TYR A  55
TRP A  86
HIS A 117
 None
FFA  A   3 ( 4.5A)
None
FFA  A   3 ( 4.1A)
 0.13A 4jtrA-2ipfA:
51.5		 4jtrA-2ipfA:
72.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		5 VAL A  54
TYR A  55
HIS A 117
TRP A 227
LEU A 306
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
FFA  A 325 ( 3.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
 1.48A 4jtrA-2ipjA:
55.8		 4jtrA-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ipj ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C2

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		7 VAL A  54
TYR A  55
TRP A  86
HIS A 117
TRP A 227
LEU A 306
LEU A 308
 FFA  A 325 (-4.8A)
FFA  A 325 ( 4.3A)
None
FFA  A 325 ( 3.8A)
FFA  A 325 (-3.8A)
FFA  A 325 (-4.8A)
FFA  A 325 (-4.5A)
 0.44A 4jtrA-2ipjA:
55.8		 4jtrA-2ipjA:
99.69
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2is7 ALDOSE REDUCTASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 VAL A  47
TRP A  79
HIS A 110
LEU A 300
 2CL  A 317 (-4.2A)
None
2CL  A 317 ( 3.8A)
None
 1.01A 4jtrA-2is7A:
46.7		 4jtrA-2is7A:
49.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2is7 ALDOSE REDUCTASE

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 VAL A  47
TYR A  48
TRP A  79
HIS A 110
 2CL  A 317 (-4.2A)
2CL  A 317 ( 4.5A)
None
2CL  A 317 ( 3.8A)
 0.22A 4jtrA-2is7A:
46.7		 4jtrA-2is7A:
49.07
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.
2lc2 AVR3A4

(Phytophthora
capsici) 		PF16810
(RXLR) 		4 TYR A 102
VAL A  69
TYR A  70
LEU A  87
 None
 1.10A 4jtrA-2lc2A:
undetectable		 4jtrA-2lc2A:
15.46
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.
2m1c DHH SUBFAMILY 1
PROTEIN

(Geobacillus
thermodenitrificans) 		no annotation 4 TYR A  69
VAL A  71
LEU A  60
LEU A  88
 None
 1.05A 4jtrA-2m1cA:
undetectable		 4jtrA-2m1cA:
16.41
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.
2m1u MYOSIN LIGHT CHAIN
MLCB

(Saccharomyces
cerevisiae) 		PF13499
(EF-hand_7) 		4 VAL A  43
TYR A  80
LEU A  28
LEU A  56
 None
 1.02A 4jtrA-2m1uA:
undetectable		 4jtrA-2m1uA:
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.
2ols PHOSPHOENOLPYRUVATE
SYNTHASE

(Neisseria
meningitidis) 		PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C) 		4 TYR A 614
VAL A 649
LEU A 662
LEU A 676
 None
 1.09A 4jtrA-2olsA:
9.2		 4jtrA-2olsA:
18.57
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.
2p3x POLYPHENOL OXIDASE,
CHLOROPLAST

(Vitis vinifera) 		PF00264
(Tyrosinase)
PF12142
(PPO1_DWL) 		4 TYR A  95
VAL A  86
TYR A  90
LEU A 312
 None
 0.94A 4jtrA-2p3xA:
undetectable		 4jtrA-2p3xA:
24.14
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.
2rhp THROMBOSPONDIN-2

(Homo sapiens) 		PF02412
(TSP_3)
PF05735
(TSP_C)
PF07645
(EGF_CA)
PF12947
(EGF_3) 		4 VAL A1028
TYR A1031
LEU A1078
LEU A1082
 None
 1.09A 4jtrA-2rhpA:
undetectable		 4jtrA-2rhpA:
18.55
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.
2wbp L-ARGININE
BETA-HYDROXYLASE

(Streptomyces
vinaceus) 		PF02668
(TauD) 		4 VAL A 315
TRP A 167
LEU A 212
LEU A 288
 None
 0.92A 4jtrA-2wbpA:
undetectable		 4jtrA-2wbpA:
21.75
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.
2y05 PROSTAGLANDIN
REDUCTASE 1

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		4 TYR A 214
VAL A 218
LEU A 203
LEU A 199
 None
NAP  A 701 (-4.3A)
None
None
 1.07A 4jtrA-2y05A:
undetectable		 4jtrA-2y05A:
22.04
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.
2y96 DUAL SPECIFICITY
PHOSPHATASE DUPD1

(Homo sapiens) 		PF00782
(DSPc) 		4 TYR A 100
VAL A  94
HIS A 146
LEU A  76
 SO4  A1209 ( 4.9A)
None
None
None
 1.07A 4jtrA-2y96A:
undetectable		 4jtrA-2y96A:
22.22
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.
2yev CYTOCHROME C OXIDASE
POLYPEPTIDE I+III

(Thermus
thermophilus) 		PF00115
(COX1)
PF00510
(COX3) 		4 TYR A 143
TRP A 229
LEU A 724
LEU A 642
 None
 1.09A 4jtrA-2yevA:
undetectable		 4jtrA-2yevA:
17.92
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.
2yvx MG2+ TRANSPORTER
MGTE

(Thermus
thermophilus) 		PF00571
(CBS)
PF01769
(MgtE)
PF03448
(MgtE_N) 		4 TYR A 142
VAL A 232
LEU A  90
LEU A 126
 None
 0.81A 4jtrA-2yvxA:
undetectable		 4jtrA-2yvxA:
20.16
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.
2z01 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Geobacillus
kaustophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		4 VAL A 194
TYR A 191
LEU A  74
LEU A 206
 None
 1.03A 4jtrA-2z01A:
undetectable		 4jtrA-2z01A:
23.40
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.
2zkm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-2

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		4 TYR X  16
VAL X  13
LEU X  38
LEU X  47
 None
 1.01A 4jtrA-2zkmX:
7.5		 4jtrA-2zkmX:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3a3h ENDOGLUCANASE

(Salipaludibacillus
agaradhaerens) 		PF00150
(Cellulase) 		4 VAL A   5
HIS A   9
LEU A  19
LEU A  12
 None
 1.11A 4jtrA-3a3hA:
10.1		 4jtrA-3a3hA:
21.73
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.
3b74 UNCHARACTERIZED
PROTEIN YKL091C

(Saccharomyces
cerevisiae) 		PF00650
(CRAL_TRIO)
PF03765
(CRAL_TRIO_N) 		4 VAL A 199
TYR A 195
LEU A 128
LEU A 179
 None
PEE  A 311 (-4.0A)
PEE  A 311 (-4.6A)
None
 1.04A 4jtrA-3b74A:
undetectable		 4jtrA-3b74A:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bfn KINESIN-LIKE PROTEIN
KIF22

(Homo sapiens) 		PF00225
(Kinesin) 		4 VAL A 146
TYR A 104
LEU A 115
LEU A 270
 None
 1.05A 4jtrA-3bfnA:
undetectable		 4jtrA-3bfnA:
23.50
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.
3dbg PUTATIVE CYTOCHROME
P450

(Streptomyces
coelicolor) 		PF00067
(p450) 		4 VAL A 340
TRP A 339
LEU A  62
LEU A  40
 None
 1.06A 4jtrA-3dbgA:
undetectable		 4jtrA-3dbgA:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ehc SNOAL-LIKE
POLYKETIDE CYCLASE

(Agrobacterium
fabrum) 		PF07366
(SnoaL) 		4 VAL A 113
TYR A 103
LEU A  15
LEU A  47
 None
 0.74A 4jtrA-3ehcA:
undetectable		 4jtrA-3ehcA:
20.06
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.
3gm5 LACTOYLGLUTATHIONE
LYASE AND RELATED
LYASES

(Caldanaerobacter
subterraneus) 		PF13669
(Glyoxalase_4) 		4 TYR A 131
TYR A 133
HIS A  97
LEU A  63
 CIT  A 379 (-3.9A)
CIT  A 379 (-4.3A)
None
CIT  A 379 (-4.6A)
 1.06A 4jtrA-3gm5A:
undetectable		 4jtrA-3gm5A:
18.60
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.
3grn MUTT RELATED PROTEIN

(Methanosarcina
mazei) 		PF00293
(NUDIX) 		4 TYR A  12
VAL A  76
LEU A  24
LEU A 122
 None
 0.92A 4jtrA-3grnA:
undetectable		 4jtrA-3grnA:
21.39
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3h7r ALDO-KETO REDUCTASE

(Arabidopsis
thaliana) 		PF00248
(Aldo_ket_red) 		4 TYR A  24
TYR A  48
TRP A  79
HIS A 110
 ACT  A 501 ( 4.0A)
ACT  A 501 ( 4.3A)
None
ACT  A 501 ( 4.0A)
 0.30A 4jtrA-3h7rA:
41.3		 4jtrA-3h7rA:
37.92
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.
3i4y CATECHOL
1,2-DIOXYGENASE

(Rhodococcus
opacus) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		4 VAL A 151
TYR A 186
LEU A 259
LEU A 237
 None
 1.05A 4jtrA-3i4yA:
undetectable		 4jtrA-3i4yA:
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.
3ij6 UNCHARACTERIZED
METAL-DEPENDENT
HYDROLASE

(Lactobacillus
acidophilus) 		PF04909
(Amidohydro_2) 		4 TYR A   8
VAL A 100
LEU A 258
LEU A 301
 None
 1.05A 4jtrA-3ij6A:
3.2		 4jtrA-3ij6A:
24.72
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.
3kq0 ALPHA-1-ACID
GLYCOPROTEIN 1

(Homo sapiens) 		PF00061
(Lipocalin) 		4 TYR A 127
TYR A 110
LEU A  62
LEU A  79
 None
 1.06A 4jtrA-3kq0A:
undetectable		 4jtrA-3kq0A:
20.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3krb ALDOSE REDUCTASE

(Giardia
intestinalis) 		PF00248
(Aldo_ket_red) 		4 VAL A  39
TYR A  40
TRP A  73
HIS A 104
 None
UNX  A 402 (-4.4A)
None
UNX  A 402 (-4.1A)
 0.25A 4jtrA-3krbA:
39.2		 4jtrA-3krbA:
35.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ln3 DIHYDRODIOL
DEHYDROGENASE

(Mus musculus) 		PF00248
(Aldo_ket_red) 		5 TYR A  24
TYR A  55
TRP A  86
HIS A 117
LEU A 306
 MLY  A  25 (-3.6A)
NAD  A 327 ( 4.7A)
None
MRD  A 328 ( 3.9A)
MRD  A 328 ( 4.3A)
 0.96A 4jtrA-3ln3A:
50.5		 4jtrA-3ln3A:
66.25
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.
3lzx FERREDOXIN--NADP
REDUCTASE 2

(Bacillus
subtilis) 		PF07992
(Pyr_redox_2) 		4 VAL A 244
TYR A 246
LEU A 226
LEU A 224
 None
NAP  A2000 (-3.5A)
None
None
 1.01A 4jtrA-3lzxA:
undetectable		 4jtrA-3lzxA:
22.79
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.
3m1g PUTATIVE GLUTATHIONE
S-TRANSFERASE

(Corynebacterium
glutamicum) 		PF13409
(GST_N_2)
PF13410
(GST_C_2) 		4 VAL A 193
TRP A 222
LEU A 227
LEU A 233
 None
 1.03A 4jtrA-3m1gA:
undetectable		 4jtrA-3m1gA:
22.81
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.
3mga ENTEROCHELIN
ESTERASE

(Salmonella
enterica) 		PF00756
(Esterase)
PF11806
(DUF3327) 		4 TYR A  92
VAL A  52
TRP A  80
LEU A  84
 None
 1.07A 4jtrA-3mgaA:
undetectable		 4jtrA-3mgaA:
21.48
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.
3n9b PROBABLE
ATP-DEPENDENT DNA
LIGASE

(Pseudomonas
aeruginosa) 		PF13298
(LigD_N) 		4 VAL A  39
TRP A 141
LEU A 143
LEU A 157
 None
 1.06A 4jtrA-3n9bA:
undetectable		 4jtrA-3n9bA:
20.43
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.
3nf4 ACYL-COA
DEHYDROGENASE

(Mycolicibacterium
thermoresistibile) 		PF00441
(Acyl-CoA_dh_1)
PF02770
(Acyl-CoA_dh_M)
PF02771
(Acyl-CoA_dh_N) 		4 VAL A 211
TYR A  44
HIS A 165
LEU A  52
 None
 0.98A 4jtrA-3nf4A:
undetectable		 4jtrA-3nf4A:
22.17
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3o3r ALDO-KETO REDUCTASE
FAMILY 1, MEMBER B7

(Rattus
norvegicus) 		PF00248
(Aldo_ket_red) 		4 VAL A  48
TYR A  49
TRP A  80
HIS A 111
 None
NAP  A 317 (-4.9A)
None
NAP  A 317 (-4.3A)
 0.25A 4jtrA-3o3rA:
45.3		 4jtrA-3o3rA:
46.22
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.
3rkd CAPSID PROTEIN

(Orthohepevirus
A) 		PF03014
(SP2) 		4 VAL A 571
TRP A 516
LEU A 601
LEU A 465
 None
 0.98A 4jtrA-3rkdA:
undetectable		 4jtrA-3rkdA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tji MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME,
N-TERMINAL DOMAIN
PROTEIN

(Enterobacter
sp. 638) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		4 TYR A 157
HIS A 204
LEU A 210
LEU A 218
 None
 0.94A 4jtrA-3tjiA:
4.9		 4jtrA-3tjiA:
20.88
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.
3ujp MN TRANSPORTER
SUBUNIT

(Synechocystis
sp. PCC 6803) 		PF01297
(ZnuA) 		4 VAL A  71
TYR A 184
LEU A 106
LEU A 108
 None
 1.09A 4jtrA-3ujpA:
undetectable		 4jtrA-3ujpA:
20.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3wcz ALDO-KETO REDUCTASE
2E

(Bombyx mori) 		PF00248
(Aldo_ket_red) 		4 VAL A  57
TYR A  58
TRP A  89
HIS A 120
 None
CIT  A 406 ( 3.2A)
None
NAP  A 401 (-4.0A)
 0.19A 4jtrA-3wczA:
42.6		 4jtrA-3wczA:
42.33
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.
3x27 CUCUMOPINE SYNTHASE

(Marinactinospora
thermotolerans) 		no annotation 4 VAL A 137
HIS A  54
LEU A  61
LEU A  82
 None
 1.05A 4jtrA-3x27A:
undetectable		 4jtrA-3x27A:
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.
3zbf PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE ROS

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		4 TYR A2037
VAL A2098
LEU A2157
LEU A2056
 None
 1.10A 4jtrA-3zbfA:
undetectable		 4jtrA-3zbfA:
23.29
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.
3ziu LEUCYL-TRNA
SYNTHETASE

(Mycoplasma
mobile) 		PF00133
(tRNA-synt_1)
PF08264
(Anticodon_1) 		4 VAL A 419
TRP A 449
LEU A 119
LEU A 433
 None
 0.92A 4jtrA-3ziuA:
undetectable		 4jtrA-3ziuA:
20.37
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.
3zr8 AVR3A11

(Phytophthora
capsici) 		PF16810
(RXLR) 		4 TYR X 125
VAL X  92
TYR X  93
LEU X 110
 None
 0.89A 4jtrA-3zr8X:
undetectable		 4jtrA-3zr8X:
12.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4dol AT1G53520

(Arabidopsis
thaliana) 		PF02431
(Chalcone) 		4 VAL A  62
TYR A  60
LEU A  87
LEU A  70
 None
 0.89A 4jtrA-4dolA:
undetectable		 4jtrA-4dolA:
23.64
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hbk ALDO-KETO REDUCTASE
FAMILY 1, MEMBER B4
(ALDOSE REDUCTASE)

(Schistosoma
japonicum) 		PF00248
(Aldo_ket_red) 		5 VAL A  47
TYR A  48
TRP A  79
HIS A 110
LEU A 295
 None
 0.81A 4jtrA-4hbkA:
43.7		 4jtrA-4hbkA:
40.85
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.
4ilt INTRADIOL
RING-CLEAVAGE
DIOXYGENASE

(Streptomyces
sp. SirexAA-E) 		PF00775
(Dioxygenase_C) 		4 TYR A 167
TYR A 138
HIS A 175
LEU A 203
 None
FE  A 301 (-3.9A)
FE  A 301 (-3.2A)
None
 1.10A 4jtrA-4iltA:
undetectable		 4jtrA-4iltA:
18.96
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.
4leo RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		4 VAL C 128
TRP C 144
LEU C  83
LEU C 120
 None
 1.09A 4jtrA-4leoC:
undetectable		 4jtrA-4leoC:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nmw PIMELYL-[ACYL-CARRIE
R PROTEIN] METHYL
ESTER ESTERASE

(Salmonella
enterica) 		PF00561
(Abhydrolase_1) 		4 HIS A 235
TRP A  22
LEU A  24
LEU A 144
 None
 1.09A 4jtrA-4nmwA:
undetectable		 4jtrA-4nmwA:
21.73
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.
4qkf ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE ALKB
HOMOLOG 7,
MITOCHONDRIAL

(Homo sapiens) 		PF13532
(2OG-FeII_Oxy_2) 		4 VAL A 107
TRP A  81
LEU A 137
LEU A  48
 None
 1.04A 4jtrA-4qkfA:
undetectable		 4jtrA-4qkfA:
20.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgc ORIGIN RECOGNITION
COMPLEX SUBUNIT 2

(Drosophila
melanogaster) 		PF04084
(ORC2) 		4 VAL B 538
TYR B 534
LEU B 516
LEU B 607
 None
 1.02A 4jtrA-4xgcB:
undetectable		 4jtrA-4xgcB:
22.99
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.
4yip SUPEROXIDE DISMUTASE
[MN/FE]

(Streptococcus
mutans) 		PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C) 		4 VAL A  94
TRP A 189
LEU A 139
LEU A 131
 None
 1.08A 4jtrA-4yipA:
undetectable		 4jtrA-4yipA:
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.
4z8t AVRRXO1-ORF1

(Xanthomonas
oryzae) 		no annotation 4 TYR A 298
VAL A 301
TRP A 410
LEU A 285
 None
 1.07A 4jtrA-4z8tA:
undetectable		 4jtrA-4z8tA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
GAMMA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 TYR B 243
TRP B 302
LEU B 255
LEU B 271
 None
 1.01A 4jtrA-5a8rB:
undetectable		 4jtrA-5a8rB:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c05 PUTATIVE
GAMMA-TERPINENE
SYNTHASE

(Thymus vulgaris) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		4 VAL A 345
TRP A 321
LEU A 325
LEU A 562
 VAL  A 345 ( 0.6A)
TRP  A 321 ( 0.5A)
LEU  A 325 ( 0.5A)
LEU  A 562 ( 0.6A)
 0.66A 4jtrA-5c05A:
undetectable		 4jtrA-5c05A:
23.04
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.
5do7 ATP-BINDING CASSETTE
SUB-FAMILY G MEMBER
8

(Homo sapiens) 		PF00005
(ABC_tran)
PF01061
(ABC2_membrane) 		4 TYR B 511
VAL B 535
HIS B 531
LEU B 451
 None
 1.10A 4jtrA-5do7B:
undetectable		 4jtrA-5do7B:
18.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5e6k POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 TYR A  14
VAL A  20
TYR A  23
LEU A 239
 None
 1.09A 4jtrA-5e6kA:
undetectable		 4jtrA-5e6kA:
20.38
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.
5ehk LANTIBIOTIC
DEHYDRATASE

(Microbispora
corallina) 		PF04738
(Lant_dehydr_N)
PF14028
(Lant_dehydr_C) 		4 VAL A 360
TRP A 177
LEU A 300
LEU A 296
 None
 0.92A 4jtrA-5ehkA:
undetectable		 4jtrA-5ehkA:
14.57
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.
5eny POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		4 TYR A  14
VAL A  20
TYR A  23
LEU A 239
 None
 1.09A 4jtrA-5enyA:
undetectable		 4jtrA-5enyA:
17.08
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.
5gsl 778AA LONG
HYPOTHETICAL
BETA-GALACTOSIDASE

(Pyrococcus
horikoshii) 		PF02449
(Glyco_hydro_42) 		4 TYR A 449
VAL A 466
LEU A 248
LEU A 244
 None
 1.10A 4jtrA-5gslA:
9.1		 4jtrA-5gslA:
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.
5i61 POTENTIAL
RNA-DEPENDENT RNA
POLYMERASE

(Human
picobirnavirus) 		no annotation 4 VAL B 231
TRP B 234
LEU B 284
LEU B 221
 None
 0.98A 4jtrA-5i61B:
undetectable		 4jtrA-5i61B:
20.37
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.
5ig0 CAMK/CAMK2 PROTEIN
KINASE

(Salpingoeca
rosetta) 		PF08332
(CaMKII_AD) 		4 VAL A 379
HIS A 397
TRP A 454
LEU A 359
 None
 1.05A 4jtrA-5ig0A:
undetectable		 4jtrA-5ig0A:
18.10
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.
5iy9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB8

(Homo sapiens) 		PF03870
(RNA_pol_Rpb8) 		4 TYR H  90
VAL H  50
TYR H  48
LEU H  58
 None
 1.09A 4jtrA-5iy9H:
undetectable		 4jtrA-5iy9H:
16.91
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.
5j4a IMMUNITY PROTEIN
CDII

(Burkholderia
pseudomallei) 		no annotation 4 VAL B  42
TYR B  43
LEU B  94
LEU B  98
 None
 1.05A 4jtrA-5j4aB:
undetectable		 4jtrA-5j4aB:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5j7t UBIQUITIN
CARBOXYL-TERMINAL
HYDROLASE 7

(Homo sapiens) 		PF00443
(UCH)
PF12436
(USP7_ICP0_bdg) 		4 VAL A 368
TYR A 367
LEU A 402
LEU A 398
 None
 1.08A 4jtrA-5j7tA:
undetectable		 4jtrA-5j7tA:
19.32
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5jgy ALDOSE REDUCTASE,
AKR4C13

(Zea mays) 		PF00248
(Aldo_ket_red) 		4 TYR A  59
TRP A  89
HIS A 120
LEU A 294
 6KB  A 401 ( 4.6A)
None
6KB  A 401 ( 4.0A)
6KB  A 401 ( 4.8A)
 0.57A 4jtrA-5jgyA:
40.1		 4jtrA-5jgyA:
38.44
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.
5kod INDOLE-3-ACETIC
ACID-AMIDO
SYNTHETASE GH3.5

(Arabidopsis
thaliana) 		PF03321
(GH3) 		4 TYR A 594
TRP A 501
LEU A 503
LEU A 474
 None
 1.04A 4jtrA-5kodA:
undetectable		 4jtrA-5kodA:
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.
5l56 PLEXIN-A1

(Mus musculus) 		PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG) 		4 VAL A 254
TYR A 256
LEU A 115
LEU A 117
 None
 1.08A 4jtrA-5l56A:
undetectable		 4jtrA-5l56A:
13.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5liy ALDO-KETO REDUCTASE
FAMILY 1 MEMBER B10

(Homo sapiens) 		PF00248
(Aldo_ket_red) 		4 VAL X  48
TYR X  49
TRP X  80
HIS X 111
 DQP  X 402 ( 4.5A)
DQP  X 402 ( 4.0A)
None
DQP  X 402 ( 4.1A)
 0.26A 4jtrA-5liyX:
45.4		 4jtrA-5liyX:
48.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ngk GLUCOSYLCERAMIDASE

(Bacteroides
thetaiotaomicron) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		4 VAL A 400
TYR A 416
LEU A 108
LEU A  96
 None
 1.10A 4jtrA-5ngkA:
5.7		 4jtrA-5ngkA:
21.04
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.
5suo EXTRACELLULAR
SOLUTE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF12010
(DUF3502) 		4 TYR A 377
VAL A 353
TYR A 354
LEU A 294
 None
None
None
IOD  A 505 ( 4.9A)
 1.01A 4jtrA-5suoA:
undetectable		 4jtrA-5suoA:
21.66
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.
5tr0 SEED LINOLEATE
13S-LIPOXYGENASE-1

(Glycine max) 		no annotation 4 VAL A 629
TYR A 628
LEU A 518
LEU A 645
 None
 0.87A 4jtrA-5tr0A:
undetectable		 4jtrA-5tr0A:
17.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5x7s GLYCOSIDE HYDROLASE
FAMILY 31
ALPHA-GLUCOSIDASE

(Paenibacillus
sp. 598K) 		PF01055
(Glyco_hydro_31)
PF16338
(DUF4968)
PF16990
(CBM_35)
PF17137
(DUF5110) 		4 TYR A 373
TYR A1267
HIS A1181
LEU A1165
 MES  A1707 (-3.6A)
MES  A1707 (-4.4A)
None
None
 0.97A 4jtrA-5x7sA:
3.0		 4jtrA-5x7sA:
11.92
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.
6b7p SDED

(Legionella
pneumophila) 		no annotation 4 TYR A 133
VAL A 120
HIS A  67
LEU A 193
 None
 0.76A 4jtrA-6b7pA:
undetectable		 4jtrA-6b7pA:
12.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6daw NON-HEME IRON
HYDROXYLASE

(Streptomyces
lusitanus) 		no annotation 4 VAL A 292
TRP A 145
LEU A 190
LEU A 265
 None
 1.06A 4jtrA-6dawA:
undetectable		 4jtrA-6dawA:
16.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6f2u ALDO-KETO REDUCTASE
FAMILY 1 MEMBER C3

(Homo sapiens) 		no annotation 4 TYR A  24
TYR A  55
TRP A  86
HIS A 117
 CJ2  A 402 (-4.2A)
CJ2  A 402 ( 4.1A)
None
CJ2  A 402 ( 3.8A)
 0.19A 4jtrA-6f2uA:
51.5		 4jtrA-6f2uA:
92.50
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.
6g0c UBIQUITINATING/DEUBI
QUITINATING ENZYME
SDEA

(Legionella
pneumophila) 		no annotation 4 TYR A 347
VAL A 334
HIS A 277
LEU A 411
 None
 0.99A 4jtrA-6g0cA:
undetectable		 4jtrA-6g0cA:
13.76