SIMILAR PATTERNS OF AMINO ACIDS FOR 3OU6_B_SAMB300

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.
1cjy PROTEIN (CYTOSOLIC
PHOSPHOLIPASE A2)

(Homo sapiens) 		PF00168
(C2)
PF01735
(PLA2_B) 		5 ALA A 396
GLY A 394
GLY A 551
SER A 550
LEU A 421
 None
 1.16A 3ou6B-1cjyA:
undetectable		 3ou6B-1cjyA:
13.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1cxa CYTOCHROME C2

(Rhodobacter
sphaeroides) 		PF00034
(Cytochrom_C) 		5 LEU A  87
TYR A  90
ALA A  48
TRP A  71
HIS A  75
 None
None
HEM  A 126 (-4.4A)
HEM  A 126 (-4.0A)
None
 1.03A 3ou6B-1cxaA:
undetectable		 3ou6B-1cxaA:
20.28
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.
1eso CU, ZN SUPEROXIDE
DISMUTASE

(Escherichia
coli) 		PF00080
(Sod_Cu) 		5 LEU A  85
ALA A 143
GLY A 145
ALA A  55
HIS A 118
 None
None
None
None
CU  A 150 ( 3.2A)
 1.14A 3ou6B-1esoA:
undetectable		 3ou6B-1esoA:
22.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gyd ARABINAN
ENDO-1,5-ALPHA-L-ARA
BINOSIDASE A

(Cellvibrio
japonicus) 		PF04616
(Glyco_hydro_43) 		5 GLY B 239
GLY B 288
SER B 247
ALA B 236
HIS B 291
 None
 1.14A 3ou6B-1gydB:
undetectable		 3ou6B-1gydB:
23.03
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.
1idu VANADIUM
CHLOROPEROXIDASE

(Curvularia
inaequalis) 		PF01569
(PAP2) 		5 LEU A 241
GLY A 409
GLY A 552
ALA A 341
HIS A 239
 None
 1.10A 3ou6B-1iduA:
undetectable		 3ou6B-1iduA:
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.
1itz TRANSKETOLASE

(Zea mays) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 134
GLY A 132
GLY A 432
ALA A 176
HIS A 424
 None
 0.93A 3ou6B-1itzA:
2.4		 3ou6B-1itzA:
15.21
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.
1rmg RHAMNOGALACTURONASE
A

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		5 ALA A 148
GLY A 114
GLY A 170
LEU A 176
ALA A 127
 None
 1.06A 3ou6B-1rmgA:
undetectable		 3ou6B-1rmgA:
20.09
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.
1rp0 THIAZOLE
BIOSYNTHETIC ENZYME

(Arabidopsis
thaliana) 		PF01946
(Thi4) 		5 GLY A 240
GLY A  48
SER A  49
MET A 259
ALA A 195
 AHZ  A 600 (-3.5A)
AHZ  A 600 (-3.4A)
AHZ  A 600 (-3.5A)
AHZ  A 600 (-3.3A)
None
 1.08A 3ou6B-1rp0A:
2.6		 3ou6B-1rp0A:
23.23
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.
1sbp SULFATE-BINDING
PROTEIN

(Salmonella
enterica) 		PF13531
(SBP_bac_11) 		5 ALA A 173
GLY A 132
GLY A  44
SER A  45
ALA A 191
 SO4  A 311 (-3.4A)
SO4  A 311 (-3.1A)
SO4  A 311 (-3.5A)
SO4  A 311 (-4.4A)
None
 0.91A 3ou6B-1sbpA:
undetectable		 3ou6B-1sbpA:
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.
1sbp SULFATE-BINDING
PROTEIN

(Salmonella
enterica) 		PF13531
(SBP_bac_11) 		5 TYR A  10
ALA A 173
GLY A 132
GLY A  44
ALA A 191
 SO4  A 311 (-4.8A)
SO4  A 311 (-3.4A)
SO4  A 311 (-3.1A)
SO4  A 311 (-3.5A)
None
 1.10A 3ou6B-1sbpA:
undetectable		 3ou6B-1sbpA:
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.
1tqy ACTINORHODIN
POLYKETIDE PUTATIVE
BETA-KETOACYL
SYNTHASE 2

(Streptomyces
coelicolor) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 ALA B 232
GLY B 185
GLY B 336
SER B 335
ALA B  82
 None
 1.06A 3ou6B-1tqyB:
undetectable		 3ou6B-1tqyB:
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.
1w1k VANILLYL-ALCOHOL
OXIDASE

(Penicillium
simplicissimum) 		PF01565
(FAD_binding_4)
PF02913
(FAD-oxidase_C) 		5 ALA A 112
GLY A 109
SER A 106
LEU A 507
ALA A  71
 None
None
FAD  A1561 ( 4.5A)
None
None
 1.04A 3ou6B-1w1kA:
undetectable		 3ou6B-1w1kA:
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.
1xv2 HYPOTHETICAL
PROTEIN, SIMILAR TO
ALPHA-ACETOLACTATE
DECARBOXYLASE

(Staphylococcus
aureus) 		PF03306
(AAL_decarboxy) 		5 LEU A   5
ALA A  74
GLY A   9
ALA A  23
HIS A  31
 None
 0.98A 3ou6B-1xv2A:
undetectable		 3ou6B-1xv2A:
23.08
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.
1y9k IAA
ACETYLTRANSFERASE

(Bacillus cereus) 		PF00583
(Acetyltransf_1) 		5 LEU A  81
TYR A  50
GLY A  48
GLY A  77
HIS A  83
 None
 1.03A 3ou6B-1y9kA:
undetectable		 3ou6B-1y9kA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yjk PEPTIDYL-GLYCINE
ALPHA-AMIDATING
MONOOXYGENASE

(Rattus
norvegicus) 		PF01082
(Cu2_monooxygen)
PF03712
(Cu2_monoox_C) 		5 LEU A 317
ALA A 290
GLY A 252
SER A 251
ALA A 339
 None
 1.13A 3ou6B-1yjkA:
undetectable		 3ou6B-1yjkA:
20.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zbs HYPOTHETICAL PROTEIN
PG1100

(Porphyromonas
gingivalis) 		PF01869
(BcrAD_BadFG) 		5 LEU A 274
ALA A  95
GLY A  67
GLY A 100
ALA A  75
 None
 1.14A 3ou6B-1zbsA:
undetectable		 3ou6B-1zbsA:
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.
2ak3 ADENYLATE KINASE
ISOENZYME-3

(Bos taurus) 		PF00406
(ADK)
PF05191
(ADK_lid) 		5 LEU A  39
GLY A  89
SER A  35
LEU A  77
ALA A  97
 None
AMP  A 226 (-4.7A)
None
None
None
 1.14A 3ou6B-2ak3A:
undetectable		 3ou6B-2ak3A:
21.52
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.
2aps PROTEIN (CU,ZN
SUPEROXIDE
DISMUTASE)

(Actinobacillus
pleuropneumoniae) 		PF00080
(Sod_Cu) 		5 LEU A 110
ALA A 162
GLY A 164
LEU A  52
HIS A 141
 None
None
None
None
CU  A 402 ( 3.1A)
 1.15A 3ou6B-2apsA:
undetectable		 3ou6B-2apsA:
23.38
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.
2avn UBIQUINONE/MENAQUINO
NE BIOSYNTHESIS
METHYLTRANSFERASE-RE
LATED PROTEIN

(Thermotoga
maritima) 		PF08241
(Methyltransf_11) 		5 TYR A   9
GLY A  52
TRP A  56
SER A  73
MET A  76
 SAI  A1300 (-3.8A)
SAI  A1300 (-3.5A)
None
SAI  A1300 (-4.7A)
SAI  A1300 ( 4.2A)
 0.72A 3ou6B-2avnA:
19.1		 3ou6B-2avnA:
26.29
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.
2dgk GLUTAMATE
DECARBOXYLASE BETA

(Escherichia
coli) 		PF00282
(Pyridoxal_deC) 		5 ALA A 245
GLY A 248
TRP A 286
GLY A 210
HIS A 241
 PLP  A1500 (-3.4A)
None
None
None
None
 1.01A 3ou6B-2dgkA:
undetectable		 3ou6B-2dgkA:
19.59
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 LEU A 620
ALA A 632
GLY A 608
GLY A 630
ALA A 634
 None
 0.99A 3ou6B-2ecfA:
undetectable		 3ou6B-2ecfA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2h3g BIOSYNTHETIC PROTEIN

(Bacillus
anthracis) 		PF03309
(Pan_kinase) 		5 LEU X 246
ALA X  12
GLY X   8
SER X  63
LEU X  14
 None
None
EDO  X 501 (-3.6A)
None
None
 1.15A 3ou6B-2h3gX:
undetectable		 3ou6B-2h3gX:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ibn INOSITOL OXYGENASE

(Homo sapiens) 		PF05153
(MIOX) 		5 LEU A  79
ALA A 130
GLY A 133
LEU A  83
ALA A 138
 None
 1.12A 3ou6B-2ibnA:
undetectable		 3ou6B-2ibnA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jpd DNA EXCISION REPAIR
PROTEIN ERCC-1

(Homo sapiens) 		PF03834
(Rad10) 		5 LEU A 209
TYR A 212
GLY A 133
LEU A 139
ALA A 165
 None
 1.08A 3ou6B-2jpdA:
undetectable		 3ou6B-2jpdA:
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.
2pcq PUTATIVE
DIHYDRODIPICOLINATE
SYNTHASE

(Thermus
thermophilus) 		PF00701
(DHDPS) 		5 LEU A  36
ALA A  84
GLY A  68
LEU A  92
ALA A  86
 None
 1.03A 3ou6B-2pcqA:
undetectable		 3ou6B-2pcqA:
23.08
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.
2qny 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Mycobacterium
tuberculosis) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 LEU A 308
TYR A 310
ALA A 113
GLY A 303
GLY A 305
 None
None
None
None
DFD  A 760 (-3.6A)
 1.12A 3ou6B-2qnyA:
undetectable		 3ou6B-2qnyA:
23.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4

(Saccharopolyspora
erythraea) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 LEU A 206
ALA A 380
GLY A 228
GLY A 383
ALA A 154
 None
 1.13A 3ou6B-2qo3A:
undetectable		 3ou6B-2qo3A:
13.91
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.
2qzp ACYLAMINO-ACID-RELEA
SING ENZYME

(Aeropyrum
pernix) 		PF00326
(Peptidase_S9) 		5 LEU A 455
ALA A 467
GLY A 443
GLY A 465
ALA A 469
 None
 0.84A 3ou6B-2qzpA:
2.7		 3ou6B-2qzpA:
17.64
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.
2r5f TRANSCRIPTIONAL
REGULATOR, PUTATIVE

(Pseudomonas
syringae group
genomosp. 3) 		PF04198
(Sugar-bind) 		5 ALA A 296
GLY A 255
GLY A 300
LEU A 302
ALA A 292
 None
 1.07A 3ou6B-2r5fA:
undetectable		 3ou6B-2r5fA:
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.
2uzz N-METHYL-L-TRYPTOPHA
N OXIDASE

(Escherichia
coli) 		PF01266
(DAO) 		5 ALA A  16
GLY A  18
GLY A  11
SER A  10
MET A  30
 None
None
FAD  A1373 (-3.4A)
None
None
 1.05A 3ou6B-2uzzA:
2.3		 3ou6B-2uzzA:
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.
2vqa SLL1358 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00190
(Cupin_1) 		5 TYR A 350
GLY A 269
GLY A 348
SER A 257
HIS A 285
 ACT  A1395 (-4.4A)
None
None
None
MN  A1006 ( 3.5A)
 1.13A 3ou6B-2vqaA:
undetectable		 3ou6B-2vqaA:
21.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wvg PYRUVATE
DECARBOXYLASE

(Zymomonas
mobilis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A  63
GLY A  59
GLY A  65
ALA A 426
HIS A  20
 None
 1.15A 3ou6B-2wvgA:
undetectable		 3ou6B-2wvgA:
16.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yv2 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN

(Aeropyrum
pernix) 		PF00549
(Ligase_CoA)
PF02629
(CoA_binding) 		5 LEU A  17
ALA A  30
GLY A  26
GLY A  43
ALA A  32
 None
 1.09A 3ou6B-2yv2A:
3.9		 3ou6B-2yv2A:
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.
2z01 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Geobacillus
kaustophilus) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLY A  96
GLY A 243
LEU A 305
ALA A 229
HIS A 246
 None
 1.03A 3ou6B-2z01A:
undetectable		 3ou6B-2z01A:
22.73
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.
2z2n VIRGINIAMYCIN B
LYASE

(Staphylococcus
aureus) 		no annotation 5 LEU A 196
ALA A 153
GLY A 149
SER A 150
LEU A 154
 None
 1.00A 3ou6B-2z2nA:
undetectable		 3ou6B-2z2nA:
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.
2z37 CHITINASE

(Brassica juncea) 		PF00182
(Glyco_hydro_19) 		5 ALA A 289
GLY A 261
SER A 266
MET A 264
LEU A 282
 None
 1.07A 3ou6B-2z37A:
undetectable		 3ou6B-2z37A:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z37 CHITINASE

(Brassica juncea) 		PF00182
(Glyco_hydro_19) 		5 TYR A 258
ALA A 289
SER A 266
MET A 264
LEU A 282
 None
 1.11A 3ou6B-2z37A:
undetectable		 3ou6B-2z37A:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2zo4 METALLO-BETA-LACTAMA
SE FAMILY PROTEIN

(Thermus
thermophilus) 		PF00753
(Lactamase_B) 		5 ALA A 172
GLY A 174
GLY A  99
ALA A 191
HIS A  75
 None
None
None
None
ZN  A 319 (-3.2A)
 1.15A 3ou6B-2zo4A:
undetectable		 3ou6B-2zo4A:
24.92
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.
3a0g HEMOGLOBIN SUBUNIT
BETA

(Cavia porcellus) 		PF00042
(Globin) 		5 ALA B  27
GLY B  29
GLY B  64
LEU B  68
HIS B 117
 None
 1.10A 3ou6B-3a0gB:
undetectable		 3ou6B-3a0gB:
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.
3br8 PROBABLE
ACYLPHOSPHATASE

(Bacillus
subtilis) 		PF00708
(Acylphosphatase) 		5 ALA A  31
GLY A  48
GLY A  82
MET A   1
ALA A  25
 None
 1.16A 3ou6B-3br8A:
undetectable		 3ou6B-3br8A:
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.
3c02 AQUAGLYCEROPORIN

(Plasmodium
falciparum) 		PF00230
(MIP) 		5 LEU A  69
ALA A  53
GLY A  51
GLY A  57
ALA A  30
 GOL  A 663 (-4.1A)
None
None
None
None
 1.06A 3ou6B-3c02A:
undetectable		 3ou6B-3c02A:
23.47
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.
3czx PUTATIVE
N-ACETYLMURAMOYL-L-A
LANINE AMIDASE

(Neisseria
meningitidis) 		PF01520
(Amidase_3) 		5 LEU A  60
ALA A 136
GLY A 140
LEU A 133
ALA A  91
 None
 1.08A 3ou6B-3czxA:
undetectable		 3ou6B-3czxA:
19.81
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.
3dtn PUTATIVE
METHYLTRANSFERASE
MM_2633

(Methanosarcina
mazei) 		PF13649
(Methyltransf_25) 		5 GLY A  52
SER A  75
MET A  78
ALA A 114
HIS A 119
 None
 0.61A 3ou6B-3dtnA:
17.6		 3ou6B-3dtnA:
20.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3e23 UNCHARACTERIZED
PROTEIN RPA2492

(Rhodopseudomonas
palustris) 		PF08241
(Methyltransf_11) 		5 LEU A  14
TYR A  17
GLY A  53
GLY A  73
SER A  74
 SAM  A 221 (-4.4A)
SAM  A 221 (-3.8A)
SAM  A 221 (-3.2A)
SAM  A 221 (-3.2A)
SAM  A 221 (-4.6A)
 0.74A 3ou6B-3e23A:
19.0		 3ou6B-3e23A:
27.03
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.
3eqn GLUCAN
1,3-BETA-GLUCOSIDASE

(Phanerochaete
chrysosporium) 		PF12708
(Pectate_lyase_3) 		5 ALA A 551
GLY A 495
GLY A 527
LEU A 573
ALA A 498
 None
 0.91A 3ou6B-3eqnA:
undetectable		 3ou6B-3eqnA:
12.93
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.
3fpz THIAZOLE
BIOSYNTHETIC ENZYME

(Saccharomyces
cerevisiae) 		PF01946
(Thi4) 		5 GLY A 290
GLY A  74
SER A  75
MET A 309
ALA A 243
 AHZ  A1100 (-3.5A)
AHZ  A1100 (-3.6A)
AHZ  A1100 (-3.6A)
AHZ  A1100 (-3.3A)
None
 1.05A 3ou6B-3fpzA:
2.2		 3ou6B-3fpzA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hbx GLUTAMATE
DECARBOXYLASE 1

(Arabidopsis
thaliana) 		PF00282
(Pyridoxal_deC) 		5 ALA A 246
GLY A 249
TRP A 287
GLY A 211
HIS A 242
 LLP  A 277 ( 3.3A)
None
None
None
None
 1.02A 3ou6B-3hbxA:
undetectable		 3ou6B-3hbxA:
17.86
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.
3hut PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC TRANSPORTER

(Rhodospirillum
rubrum) 		PF13458
(Peripla_BP_6) 		5 GLY A 163
GLY A 261
SER A 262
ALA A 168
TRP A 169
 None
 1.12A 3ou6B-3hutA:
undetectable		 3ou6B-3hutA:
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.
3lsc TRIAZINE HYDROLASE

(Paenarthrobacter
aurescens) 		PF01979
(Amidohydro_1) 		5 TYR A  67
ALA A 328
GLY A  69
GLY A 326
TRP A  85
 AOO  A 457 (-4.7A)
None
None
None
None
 1.15A 3ou6B-3lscA:
undetectable		 3ou6B-3lscA:
20.27
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.
3m49 TRANSKETOLASE

(Bacillus
anthracis) 		PF00456
(Transketolase_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 ALA A 423
GLY A 421
GLY A 426
MET A 128
ALA A 449
 None
 1.05A 3ou6B-3m49A:
undetectable		 3ou6B-3m49A:
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.
3now UNC-45 PROTEIN,
SD10334P

(Drosophila
melanogaster) 		PF11701
(UNC45-central) 		5 LEU A 472
GLY A 495
GLY A 490
LEU A 488
ALA A 511
 None
 0.83A 3ou6B-3nowA:
undetectable		 3ou6B-3nowA:
14.97
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.
3now UNC-45 PROTEIN,
SD10334P

(Drosophila
melanogaster) 		PF11701
(UNC45-central) 		5 LEU A 472
GLY A 495
GLY A 490
LEU A 488
ALA A 512
 None
 1.13A 3ou6B-3nowA:
undetectable		 3ou6B-3nowA:
14.97
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ou6 SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
luridus) 		PF13649
(Methyltransf_25) 		12 LEU A  12
TYR A  15
ALA A  54
GLY A  56
TRP A  60
GLY A  76
SER A  77
MET A  80
LEU A  99
ALA A 114
TRP A 116
HIS A 119
 SAM  A 300 ( 3.9A)
SAM  A 300 ( 3.5A)
SAM  A 300 (-3.4A)
SAM  A 300 (-3.1A)
None
SAM  A 300 (-3.3A)
SAM  A 300 (-4.5A)
SAM  A 300 (-4.0A)
SAM  A 300 (-3.9A)
SAM  A 300 (-3.6A)
None
SO4  A 301 (-4.0A)
 0.10A 3ou6B-3ou6A:
39.1		 3ou6B-3ou6A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3px2 N-METHYLTRANSFERASE

(Streptomyces
fradiae) 		PF13649
(Methyltransf_25) 		5 TYR A  14
ALA A  58
GLY A  60
SER A  81
MET A  84
 SAH  A 263 ( 3.9A)
SAH  A 263 (-3.5A)
SAH  A 263 (-3.3A)
SAH  A 263 (-4.7A)
SAH  A 263 (-4.5A)
 0.75A 3ou6B-3px2A:
17.4		 3ou6B-3px2A:
28.46
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.
3q98 TRANSCARBAMYLASE

(Escherichia
coli) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 LEU A 159
ALA A 118
GLY A  63
GLY A 120
SER A  65
 None
 1.10A 3ou6B-3q98A:
undetectable		 3ou6B-3q98A:
22.17
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.
3qvq PHOSPHODIESTERASE
OLEI02445

(Oleispira
antarctica) 		PF03009
(GDPD) 		5 LEU A 155
GLY A 168
SER A 148
LEU A 182
ALA A 173
 None
None
G3P  A 301 ( 4.4A)
None
None
 1.08A 3ou6B-3qvqA:
undetectable		 3ou6B-3qvqA:
22.14
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.
3uog ALCOHOL
DEHYDROGENASE

(Sinorhizobium
meliloti) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 LEU A 306
GLY A 182
LEU A 299
ALA A 157
TRP A 155
 None
 1.12A 3ou6B-3uogA:
4.9		 3ou6B-3uogA:
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.
3vw1 PUTATIVE REGULATORY
PROTEIN

(Salmonella
enterica) 		PF00440
(TetR_N) 		5 LEU A 109
ALA A  17
LEU A  54
ALA A  12
HIS A  61
 None
 1.08A 3ou6B-3vw1A:
undetectable		 3ou6B-3vw1A:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w15 PEROXISOMAL
TARGETING SIGNAL 2
RECEPTOR

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		5 LEU A 216
ALA A 223
GLY A 240
GLY A 220
SER A 219
 NO3  A 401 (-4.4A)
None
None
None
None
 1.00A 3ou6B-3w15A:
undetectable		 3ou6B-3w15A:
21.56
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.
3wai MALTOSE-BINDING
PERIPLASMIC PROTEIN,
TRANSMEMBRANE
OLIGOSACCHARYL
TRANSFERASE

(Escherichia
coli;
Archaeoglobus
fulgidus) 		PF13416
(SBP_bac_8) 		5 ALA A 162
GLY A 165
GLY A 191
ALA A 168
TRP A 158
 None
 1.07A 3ou6B-3waiA:
undetectable		 3ou6B-3waiA:
14.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4d65 PORIN 2

(Providencia
stuartii) 		PF00267
(Porin_1) 		5 GLY A 191
GLY A 175
SER A 193
LEU A 149
ALA A 179
 LDA  A1370 ( 4.6A)
LDA  A1383 ( 4.2A)
None
LDA  A1365 ( 4.3A)
None
 1.04A 3ou6B-4d65A:
undetectable		 3ou6B-4d65A:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4emi TODA

(Pseudomonas
putida) 		PF07992
(Pyr_redox_2)
PF14759
(Reductase_C) 		5 LEU A 394
ALA A 350
GLY A 349
GLY A 344
LEU A 352
 None
 1.14A 3ou6B-4emiA:
undetectable		 3ou6B-4emiA:
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.
4fl3 TYROSINE-PROTEIN
KINASE SYK

(Homo sapiens) 		PF00017
(SH2)
PF07714
(Pkinase_Tyr) 		5 LEU A 365
TYR A 364
ALA A 421
GLY A 437
LEU A 446
 None
 1.11A 3ou6B-4fl3A:
undetectable		 3ou6B-4fl3A:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4na3 POLYKETIDE SYNTHASE
PKSJ

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 LEU A 397
TYR A 403
GLY A 352
LEU A 326
ALA A 426
 None
 0.93A 3ou6B-4na3A:
undetectable		 3ou6B-4na3A:
17.37
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.
4q05 ESTERASE E25

(uncultured
bacterium) 		PF07859
(Abhydrolase_3) 		5 GLY A 183
GLY A 213
SER A 185
LEU A 276
ALA A 209
 None
 1.15A 3ou6B-4q05A:
3.0		 3ou6B-4q05A:
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.
4q9d BENZOYLFORMATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 ALA A  81
GLY A  83
TRP A 407
LEU A  72
ALA A  55
 None
 1.02A 3ou6B-4q9dA:
3.7		 3ou6B-4q9dA:
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.
4q9d BENZOYLFORMATE
DECARBOXYLASE

(Mycolicibacterium
smegmatis) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A  83
TRP A 407
GLY A  79
LEU A  72
ALA A  55
 None
 0.78A 3ou6B-4q9dA:
3.7		 3ou6B-4q9dA:
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.
4qme AMINOPEPTIDASE N

(Neisseria
meningitidis) 		PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C) 		5 LEU A 833
ALA A 796
GLY A 801
LEU A 630
HIS A 836
 None
 1.10A 3ou6B-4qmeA:
undetectable		 3ou6B-4qmeA:
13.02
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.
4qmk TYPE III SECRETION
SYSTEM EFFECTOR
PROTEIN EXOU

(Pseudomonas
fluorescens) 		PF01734
(Patatin) 		5 ALA A  95
GLY A  90
GLY A  61
SER A  60
ALA A 261
 None
 1.12A 3ou6B-4qmkA:
undetectable		 3ou6B-4qmkA:
16.33
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.
4um8 INTEGRIN ALPHA-V
INTEGRIN BETA-6

(Homo sapiens;
Homo sapiens) 		PF01839
(FG-GAP)
PF08441
(Integrin_alpha2)
PF00362
(Integrin_beta)
PF17205
(PSI_integrin) 		6 GLY A 157
GLY A 175
SER A 176
LEU B 265
ALA A 109
HIS A 113
 None
 1.46A 3ou6B-4um8A:
undetectable		 3ou6B-4um8A:
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.
4xdt FAD:PROTEIN FMN
TRANSFERASE

(Treponema
pallidum) 		PF02424
(ApbE) 		5 LEU A  45
ALA A 164
GLY A 166
LEU A  52
ALA A 162
 None
FAD  A 401 (-2.6A)
None
FAD  A 401 ( 3.9A)
FAD  A 401 ( 3.2A)
 1.15A 3ou6B-4xdtA:
undetectable		 3ou6B-4xdtA:
23.65
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.
4yqy PUTATIVE
DEHYDROGENASE

(Sulfitobacter
sp. NAS-14.1) 		PF13561
(adh_short_C2) 		5 ALA A 143
GLY A 156
GLY A 149
ALA A 140
HIS A 192
 None
 1.12A 3ou6B-4yqyA:
5.8		 3ou6B-4yqyA:
24.39
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.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135

(Acanthamoeba
polyphaga
mimivirus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		6 LEU A  25
GLY A 625
TRP A 618
LEU A  35
ALA A 232
HIS A  23
 None
 1.34A 3ou6B-4z26A:
2.3		 3ou6B-4z26A:
14.74
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.
4z26 PUTATIVE GMC-TYPE
OXIDOREDUCTASE R135

(Acanthamoeba
polyphaga
mimivirus) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		6 LEU A  25
TYR A  24
GLY A 625
TRP A 618
LEU A  35
ALA A 232
 None
 1.49A 3ou6B-4z26A:
2.3		 3ou6B-4z26A:
14.74
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.
4z3n PUTATIVE DRUG/SODIUM
ANTIPORTER

(Escherichia
coli) 		PF01554
(MatE) 		5 LEU A 314
GLY A 260
GLY A  93
SER A  94
ALA A  83
 None
None
None
None
OLC  A 507 ( 3.9A)
 1.14A 3ou6B-4z3nA:
undetectable		 3ou6B-4z3nA:
20.20
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.
5bp8 ENT-COPALYL
DIPHOSPHATE SYNTHASE

(Streptomyces
platensis) 		PF00432
(Prenyltrans)
PF13243
(SQHop_cyclase_C) 		5 LEU A 101
GLY A  51
GLY A  57
LEU A  59
ALA A  46
 None
SO4  A 704 (-3.3A)
None
None
None
 1.02A 3ou6B-5bp8A:
undetectable		 3ou6B-5bp8A:
17.30
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.
5c2u NANOBODY

(Camelus
dromedarius) 		PF07686
(V-set) 		5 LEU B  17
TYR B  90
GLY B 117
GLY B   7
ALA B  93
 None
 1.14A 3ou6B-5c2uB:
undetectable		 3ou6B-5c2uB:
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.
5dm3 L-GLUTAMINE
SYNTHETASE

(Chromohalobacter
salexigens) 		PF00120
(Gln-synt_C) 		5 ALA A 239
TRP A  96
SER A 152
LEU A 148
ALA A 234
 None
 1.07A 3ou6B-5dm3A:
undetectable		 3ou6B-5dm3A:
18.71
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.
5eyt ADENYLOSUCCINATE
LYASE

(Schistosoma
mansoni) 		PF00206
(Lyase_1)
PF10397
(ADSL_C) 		5 LEU A 206
ALA A 193
GLY A 195
GLY A 103
LEU A  40
 None
 1.08A 3ou6B-5eytA:
undetectable		 3ou6B-5eytA:
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.
5g0q BETA-GLUCURONIDASE

(Acidobacterium
capsulatum) 		PF03662
(Glyco_hydro_79n) 		5 LEU A 307
ALA A 394
GLY A 469
LEU A 356
ALA A 383
 None
 0.92A 3ou6B-5g0qA:
undetectable		 3ou6B-5g0qA:
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.
5g5z ABC TRANSPORTER,
SUBSTRATE-BINDING
PROTEIN

(Streptococcus
pneumoniae) 		PF01547
(SBP_bac_1) 		5 LEU A 449
GLY A 348
GLY A 170
SER A 175
ALA A 429
 None
 1.05A 3ou6B-5g5zA:
undetectable		 3ou6B-5g5zA:
18.25
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.
5gp4 GLUTAMATE
DECARBOXYLASE

(Lactobacillus
brevis) 		no annotation 5 ALA C 248
GLY C 251
TRP C 289
GLY C 213
HIS C 244
 PLP  C 501 (-3.1A)
None
None
None
None
 1.03A 3ou6B-5gp4C:
undetectable		 3ou6B-5gp4C:
18.61
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.
5h02 GLYCINE SARCOSINE
N-METHYLTRANSFERASE

(Methanohalophilus
portucalensis) 		PF13649
(Methyltransf_25) 		5 ALA A  67
GLY A  69
GLY A  89
SER A  90
MET A  93
 SAH  A 301 (-3.9A)
SAH  A 301 (-3.3A)
SAH  A 301 (-3.4A)
SAH  A 301 ( 4.9A)
SAH  A 301 (-3.9A)
 0.46A 3ou6B-5h02A:
17.0		 3ou6B-5h02A:
24.57
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.
5h42 UNCHARACTERIZED
PROTEIN

(Lachnoclostridium
phytofermentans) 		PF17167
(Glyco_hydro_36) 		5 LEU A 225
TYR A 157
GLY A 153
GLY A 177
SER A 178
 None
 1.04A 3ou6B-5h42A:
undetectable		 3ou6B-5h42A:
9.71
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.
5hxs SODIUM,CALCIUM
EXCHANGER

(Methanocaldococcus
jannaschii) 		PF01699
(Na_Ca_ex) 		5 LEU A 254
ALA A 244
GLY A 248
SER A 249
ALA A 239
 None
 1.10A 3ou6B-5hxsA:
undetectable		 3ou6B-5hxsA:
22.61
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.
5je3 METHYL TRANSFERASE

(Burkholderia
glumae) 		PF13847
(Methyltransf_31) 		5 ALA A  47
GLY A  49
SER A  71
MET A  74
ALA A 111
 SAH  A 301 (-3.2A)
SAH  A 301 (-3.6A)
SAH  A 301 ( 4.8A)
SAH  A 301 ( 4.5A)
SAH  A 301 (-3.8A)
 0.44A 3ou6B-5je3A:
16.5		 3ou6B-5je3A:
23.94
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.
5lp7 ACETYL-COA
ACETYLTRANSFERASE

(Bacillus
subtilis) 		no annotation 5 ALA H 356
GLY H 113
GLY H 352
MET H  53
ALA H   9
 None
 1.12A 3ou6B-5lp7H:
undetectable		 3ou6B-5lp7H:
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.
5n2p TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Sulfolobus
solfataricus) 		no annotation 5 LEU A 238
TYR A 241
ALA A 201
GLY A 205
GLY A 208
 None
 0.94A 3ou6B-5n2pA:
undetectable		 3ou6B-5n2pA:
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.
5nxn PORIN 1

(Providencia
stuartii) 		no annotation 5 GLY A 193
GLY A 177
SER A 195
LEU A 152
ALA A 181
 None
 1.01A 3ou6B-5nxnA:
undetectable		 3ou6B-5nxnA:
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.
5oie -

(-) 		no annotation 5 TYR A 375
ALA A 419
GLY A 430
ALA A  32
TRP A 436
 None
None
None
None
GOL  A 501 ( 4.4A)
 1.11A 3ou6B-5oieA:
undetectable		 3ou6B-5oieA:
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.
5olj DIPEPTIDYL PEPTIDASE
IV

(Porphyromonas
gingivalis) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 LEU A 603
ALA A 615
GLY A 591
GLY A 613
ALA A 617
 None
 0.94A 3ou6B-5oljA:
undetectable		 3ou6B-5oljA:
14.97
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.
5onu OUTER MEMBRANE
PROTEIN OMPU

(Vibrio cholerae) 		no annotation 5 LEU A 138
ALA A 219
GLY A 231
GLY A 233
LEU A 217
 None
 1.15A 3ou6B-5onuA:
undetectable		 3ou6B-5onuA:
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.
5u7x NOD FACTOR BINDING
LECTIN-NUCLEOTIDE
PHOSPHOHYDROLASE

(Vigna
unguiculata) 		PF01150
(GDA1_CD39) 		5 LEU F  94
ALA F  87
GLY F  14
SER F  49
LEU F 103
 None
None
PO4  F 502 (-3.4A)
None
None
 0.99A 3ou6B-5u7xF:
undetectable		 3ou6B-5u7xF:
19.18
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.
5um2 ABC TRANSPORTER
SULFATE BINDING
PROTEIN

(Xanthomonas
citri) 		PF13531
(SBP_bac_11) 		5 ALA A 225
GLY A 184
GLY A  95
SER A  96
ALA A 243
 SO4  A 401 (-3.4A)
SO4  A 401 (-3.3A)
SO4  A 401 (-3.6A)
SO4  A 401 (-4.4A)
None
 0.89A 3ou6B-5um2A:
undetectable		 3ou6B-5um2A:
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.
5um2 ABC TRANSPORTER
SULFATE BINDING
PROTEIN

(Xanthomonas
citri) 		PF13531
(SBP_bac_11) 		5 TYR A  60
ALA A 225
GLY A 184
GLY A  95
ALA A 243
 SO4  A 401 (-4.7A)
SO4  A 401 (-3.4A)
SO4  A 401 (-3.3A)
SO4  A 401 (-3.6A)
None
 1.09A 3ou6B-5um2A:
undetectable		 3ou6B-5um2A:
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 5 ALA A 635
GLY A 611
GLY A 633
LEU A 681
ALA A 637
 None
 1.10A 3ou6B-5yp3A:
undetectable		 3ou6B-5yp3A:
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.
5yp3 DIPEPTIDYL
AMINOPEPTIDASE 4

(Pseudoxanthomonas
mexicana) 		no annotation 5 LEU A 623
ALA A 635
GLY A 611
GLY A 633
ALA A 637
 None
 0.92A 3ou6B-5yp3A:
undetectable		 3ou6B-5yp3A:
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.
6bq1 PHOSPHATIDYLINOSITOL
4-KINASE III ALPHA
(PI4KA)

(Homo sapiens) 		no annotation 5 LEU A1177
ALA A1230
GLY A1226
GLY A1217
MET A1221
 None
 1.16A 3ou6B-6bq1A:
undetectable		 3ou6B-6bq1A:
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.
6c2h CYSTATHIONINE
BETA-SYNTHASE

(Saccharomyces
cerevisiae) 		no annotation 5 ALA A  90
GLY A  93
GLY A 120
LEU A 116
ALA A  57
 None
None
NA  A 404 (-4.0A)
None
None
 1.15A 3ou6B-6c2hA:
2.3		 3ou6B-6c2hA:
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.
6gu8 -

(-) 		no annotation 5 ALA A 262
GLY A 255
SER A 278
LEU A 133
ALA A 227
 None
EDO  A 505 ( 4.9A)
None
None
None
 1.08A 3ou6B-6gu8A:
undetectable		 3ou6B-6gu8A:
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.
1iwp GLYCEROL DEHYDRATASE
ALPHA SUBUNIT

(Klebsiella
pneumoniae) 		PF02286
(Dehydratase_LU) 		3 TYR A 371
ASP A 381
ASP A 387
 None
 0.85A 3ou6B-1iwpA:
undetectable		 3ou6B-1iwpA:
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.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		3 TYR A  41
ASP A  35
ASP A 251
 None
 0.94A 3ou6B-1kb0A:
undetectable		 3ou6B-1kb0A:
16.10
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.
1lns X-PROLYL DIPEPTIDYL
AMINOPEPTIDASE

(Lactococcus
lactis) 		PF02129
(Peptidase_S15)
PF08530
(PepX_C)
PF09168
(PepX_N) 		3 TYR A 380
ASP A 468
ASP A 647
 None
 0.94A 3ou6B-1lnsA:
undetectable		 3ou6B-1lnsA:
14.12
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.
1n7j PHENYLETHANOLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		3 TYR A  35
ASP A 101
ASP A 158
 SAH  A2002 ( 4.4A)
SAH  A2002 (-3.1A)
SAH  A2002 (-3.6A)
 0.42A 3ou6B-1n7jA:
17.0		 3ou6B-1n7jA:
25.99
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.
1odf HYPOTHETICAL 33.3
KDA PROTEIN IN
ADE3-SER2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		no annotation 3 TYR A  67
ASP A  72
ASP A 132
 None
 0.94A 3ou6B-1odfA:
undetectable		 3ou6B-1odfA:
18.00
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		3 TYR A 794
ASP A 844
ASP A 847
 None
 0.89A 3ou6B-1ofeA:
undetectable		 3ou6B-1ofeA:
10.17
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.
1orr CDP-TYVELOSE-2-EPIME
RASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		3 TYR A 129
ASP A 173
ASP A 178
 None
 0.87A 3ou6B-1orrA:
4.7		 3ou6B-1orrA:
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.
1qs0 2-OXOISOVALERATE
DEHYDROGENASE
ALPHA-SUBUNIT
2-OXOISOVALERATE
DEHYDROGENASE
BETA-SUBUNIT

(Pseudomonas
putida;
Pseudomonas
putida) 		PF00676
(E1_dh)
PF12573
(OxoDH_E1alpha_N)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		3 TYR A 394
ASP B 212
ASP B 260
 None
 0.86A 3ou6B-1qs0A:
undetectable		 3ou6B-1qs0A:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sfc PROTEIN
(SYNAPTOBREVIN 2)
PROTEIN (SYNTAXIN
1A)

(Rattus
norvegicus;
Rattus
norvegicus) 		PF00957
(Synaptobrevin)
PF00804
(Syntaxin)
PF05739
(SNARE) 		3 TYR B 235
ASP A  64
ASP A  57
 None
 0.87A 3ou6B-1sfcB:
undetectable		 3ou6B-1sfcB:
16.44
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.
1t9h PROBABLE GTPASE ENGC

(Bacillus
subtilis) 		PF03193
(RsgA_GTPase)
PF16745
(RsgA_N) 		3 TYR A 142
ASP A  98
ASP A 282
 ACT  A 416 (-3.7A)
None
None
 0.83A 3ou6B-1t9hA:
2.2		 3ou6B-1t9hA:
22.33
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.
1u7k GAG POLYPROTEIN

(Murine leukemia
virus) 		PF02093
(Gag_p30) 		3 TYR A 106
ASP A  54
ASP A  19
 None
 0.86A 3ou6B-1u7kA:
undetectable		 3ou6B-1u7kA:
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.
1uc4 DIOL DEHYDRASE ALPHA
SUBUNIT

(Klebsiella
oxytoca) 		PF02286
(Dehydratase_LU) 		3 TYR A 370
ASP A 380
ASP A 386
 None
 0.93A 3ou6B-1uc4A:
undetectable		 3ou6B-1uc4A:
17.79
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.
1ur4 GALACTANASE

(Bacillus
licheniformis) 		PF07745
(Glyco_hydro_53) 		3 TYR A 142
ASP A 113
ASP A  75
 None
 0.83A 3ou6B-1ur4A:
undetectable		 3ou6B-1ur4A:
20.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v6m GALACTOSE-BINDING
LECTIN

(Arachis
hypogaea) 		PF00139
(Lectin_legB) 		3 TYR A 130
ASP A  83
ASP A  80
 None
 0.91A 3ou6B-1v6mA:
undetectable		 3ou6B-1v6mA:
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.
1wky ENDO-BETA-1,4-MANNAN
ASE

(Bacillus sp.
JAMB-602) 		PF00150
(Cellulase) 		3 TYR A 124
ASP A  88
ASP A  95
 None
 0.79A 3ou6B-1wkyA:
undetectable		 3ou6B-1wkyA:
18.50
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.
1wxj TRYPTOPHAN SYNTHASE
ALPHA CHAIN

(Thermus
thermophilus) 		PF00290
(Trp_syntA) 		3 TYR A  52
ASP A 127
ASP A 133
 None
 0.90A 3ou6B-1wxjA:
undetectable		 3ou6B-1wxjA:
27.18
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.
1wzn SAM-DEPENDENT
METHYLTRANSFERASE

(Pyrococcus
horikoshii) 		PF13649
(Methyltransf_25) 		3 TYR A  12
ASP A  70
ASP A  96
 SAH  A1001 (-4.9A)
SAH  A1001 (-2.7A)
SAH  A1001 (-3.3A)
 0.41A 3ou6B-1wznA:
17.7		 3ou6B-1wznA:
28.69
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.
1xfj CONSERVED
HYPOTHETICAL PROTEIN

(Caulobacter
vibrioides) 		PF02578
(Cu-oxidase_4) 		3 TYR A  74
ASP A  96
ASP A 139
 None
 0.91A 3ou6B-1xfjA:
undetectable		 3ou6B-1xfjA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yzy HYPOTHETICAL PROTEIN
HI1011

(Haemophilus
influenzae) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		3 TYR A 190
ASP A 156
ASP A 148
 None
 0.89A 3ou6B-1yzyA:
undetectable		 3ou6B-1yzyA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a14 INDOLETHYLAMINE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		3 TYR A  20
ASP A  85
ASP A 142
 SAH  A4001 (-4.2A)
SAH  A4001 (-2.7A)
SAH  A4001 (-3.7A)
 0.31A 3ou6B-2a14A:
17.0		 3ou6B-2a14A:
24.64
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.
2bg9 ACETYLCHOLINE
RECEPTOR PROTEIN,
ALPHA CHAIN
ACETYLCHOLINE
RECEPTOR PROTEIN,
GAMMA CHAIN

(Torpedo
marmorata;
Torpedo
marmorata) 		PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb)
PF02931
(Neur_chan_LBD)
PF02932
(Neur_chan_memb) 		3 TYR E 104
ASP A  99
ASP A  97
 None
 0.78A 3ou6B-2bg9E:
undetectable		 3ou6B-2bg9E:
19.64
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.
2cg9 CO-CHAPERONE PROTEIN
SBA1

(Saccharomyces
cerevisiae) 		no annotation 3 TYR X  95
ASP X  20
ASP X 122
 None
 0.75A 3ou6B-2cg9X:
undetectable		 3ou6B-2cg9X:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2csu 457AA LONG
HYPOTHETICAL PROTEIN

(Pyrococcus
horikoshii) 		PF13380
(CoA_binding_2)
PF13607
(Succ_CoA_lig) 		3 TYR A  40
ASP A  66
ASP A   3
 None
 0.91A 3ou6B-2csuA:
4.7		 3ou6B-2csuA:
18.50
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.
2e7z ACETYLENE HYDRATASE
AHY

(Pelobacter
acetylenicus) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		3 TYR A 574
ASP A 711
ASP A 298
 None
 0.75A 3ou6B-2e7zA:
undetectable		 3ou6B-2e7zA:
14.92
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.
2etv IRON(III) ABC
TRANSPORTER,
PERIPLASMIC
IRON-BINDING
PROTEIN, PUTATIVE

(Thermotoga
maritima) 		PF01497
(Peripla_BP_2) 		3 TYR A 333
ASP A 315
ASP A 313
 None
None
EDO  A   5 (-3.9A)
 0.94A 3ou6B-2etvA:
undetectable		 3ou6B-2etvA:
20.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g0t CONSERVED
HYPOTHETICAL PROTEIN

(Thermotoga
maritima) 		PF07755
(DUF1611)
PF17396
(DUF1611_N) 		3 TYR A 249
ASP A 166
ASP A 274
 None
 0.78A 3ou6B-2g0tA:
2.8		 3ou6B-2g0tA:
20.17
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.
2gf2 3-HYDROXYISOBUTYRATE
DEHYDROGENASE

(Homo sapiens) 		PF03446
(NAD_binding_2)
PF14833
(NAD_binding_11) 		3 TYR A 198
ASP A 156
ASP A 136
 None
 0.85A 3ou6B-2gf2A:
4.3		 3ou6B-2gf2A:
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.
2i62 NICOTINAMIDE
N-METHYLTRANSFERASE

(Mus musculus) 		PF01234
(NNMT_PNMT_TEMT) 		3 TYR A  21
ASP A  86
ASP A 143
 SAH  A4001 (-4.5A)
SAH  A4001 (-2.9A)
SAH  A4001 (-4.0A)
 0.37A 3ou6B-2i62A:
17.6		 3ou6B-2i62A:
23.13
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.
2iip NICOTINAMIDE
N-METHYLTRANSFERASE

(Homo sapiens) 		PF01234
(NNMT_PNMT_TEMT) 		3 TYR A  20
ASP A  85
ASP A 142
 SAH  A4001 (-4.6A)
SAH  A4001 (-2.6A)
SAH  A4001 (-3.7A)
 0.28A 3ou6B-2iipA:
17.3		 3ou6B-2iipA:
21.72
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.
2iiz MELANIN BIOSYNTHESIS
PROTEIN TYRA,
PUTATIVE

(Shewanella
oneidensis) 		PF04261
(Dyp_perox) 		3 TYR A 179
ASP A 265
ASP A 232
 None
 0.78A 3ou6B-2iizA:
undetectable		 3ou6B-2iizA:
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.
2mqe OMPA DOMAIN PROTEIN
TRANSMEMBRANE
REGION-CONTAINING
PROTEIN

(Escherichia
coli) 		PF00691
(OmpA) 		3 TYR A 248
ASP A 241
ASP A 301
 None
 0.74A 3ou6B-2mqeA:
undetectable		 3ou6B-2mqeA:
20.91
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.
2o3e NEUROLYSIN

(Rattus
norvegicus) 		PF01432
(Peptidase_M3) 		3 TYR A  49
ASP A 110
ASP A  84
 None
 0.90A 3ou6B-2o3eA:
undetectable		 3ou6B-2o3eA:
15.63
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.
2ptz ENOLASE

(Trypanosoma
brucei) 		PF00113
(Enolase_C)
PF03952
(Enolase_N) 		3 TYR A  44
ASP A 295
ASP A 251
 None
 0.56A 3ou6B-2ptzA:
undetectable		 3ou6B-2ptzA:
18.98
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.
2qe6 UNCHARACTERIZED
PROTEIN TFU_2867

(Thermobifida
fusca) 		PF04672
(Methyltransf_19) 		3 TYR A  26
ASP A 110
ASP A 135
 SAM  A 400 ( 3.8A)
SAM  A 400 (-2.7A)
SAM  A 400 (-3.4A)
 0.70A 3ou6B-2qe6A:
13.4		 3ou6B-2qe6A:
23.57
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.
2vxr BOTULINUM NEUROTOXIN
TYPE G

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		3 TYR A1107
ASP A1179
ASP A1183
 None
 0.73A 3ou6B-2vxrA:
undetectable		 3ou6B-2vxrA:
15.72
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.
2w5o ALPHA-L-ARABINOFURAN
OSIDASE

(Fusarium
graminearum) 		no annotation 3 TYR A 184
ASP A 214
ASP A 266
 None
 0.67A 3ou6B-2w5oA:
undetectable		 3ou6B-2w5oA:
20.89
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.
2w9f CELL DIVISION
PROTEIN KINASE 4

(Homo sapiens) 		PF00069
(Pkinase) 		3 TYR B 191
ASP B 196
ASP B 129
 None
 0.90A 3ou6B-2w9fB:
undetectable		 3ou6B-2w9fB:
23.55
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		3 TYR A 731
ASP A 688
ASP A 703
 None
GOL  A1922 (-2.4A)
None
 0.71A 3ou6B-2wanA:
undetectable		 3ou6B-2wanA:
13.03
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.
2wg3 DESERT HEDGEHOG
PROTEIN N-PRODUCT

(Homo sapiens) 		PF01085
(HH_signal) 		3 TYR A 175
ASP A 148
ASP A 130
 None
ZN  A1199 (-2.0A)
None
 0.91A 3ou6B-2wg3A:
undetectable		 3ou6B-2wg3A:
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.
2xu2 UPF0271 PROTEIN
PA4511

(Pseudomonas
aeruginosa) 		PF03746
(LamB_YcsF) 		3 TYR A 179
ASP A 176
ASP A 234
 None
 0.87A 3ou6B-2xu2A:
undetectable		 3ou6B-2xu2A:
23.77
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.
2y35 LD22664P

(Drosophila
melanogaster) 		PF03159
(XRN_N) 		3 TYR A 202
ASP A 205
ASP A 288
 None
 0.81A 3ou6B-2y35A:
2.4		 3ou6B-2y35A:
11.69
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.
2z23 PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Yersinia pestis) 		PF00496
(SBP_bac_5) 		3 TYR A 210
ASP A 511
ASP A 502
 None
 0.86A 3ou6B-2z23A:
undetectable		 3ou6B-2z23A:
18.15
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.
2zk9 PROTEIN-GLUTAMINASE

(Chryseobacterium
proteolyticum) 		no annotation 3 TYR X  82
ASP X  40
ASP X 179
 GOL  X 201 ( 4.7A)
None
None
 0.73A 3ou6B-2zk9X:
undetectable		 3ou6B-2zk9X:
22.07
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.
2zux YESW PROTEIN

(Bacillus
subtilis) 		no annotation 3 TYR A 514
ASP A 457
ASP A 409
 None
CA  A 635 (-2.9A)
None
 0.86A 3ou6B-2zuxA:
undetectable		 3ou6B-2zuxA:
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.
3a55 PROTEIN-GLUTAMINASE

(Chryseobacterium
proteolyticum) 		no annotation 3 TYR A 196
ASP A 154
ASP A 293
 None
 0.79A 3ou6B-3a55A:
undetectable		 3ou6B-3a55A:
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.
3a71 EXO-ARABINANASE

(Penicillium
chrysogenum) 		no annotation 3 TYR A 188
ASP A 218
ASP A 267
 None
 0.68A 3ou6B-3a71A:
undetectable		 3ou6B-3a71A:
20.28
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.
3au0 CLUMPING FACTOR B

(Staphylococcus
aureus) 		PF10425
(SdrG_C_C) 		3 TYR A 359
ASP A 270
ASP A 272
 None
 0.88A 3ou6B-3au0A:
undetectable		 3ou6B-3au0A:
18.51
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.
3c0b CONSERVED ARCHAEAL
PROTEIN Q6M145

(Methanococcus
maripaludis) 		PF01968
(Hydantoinase_A) 		3 TYR A 194
ASP A 200
ASP A 224
 None
 0.82A 3ou6B-3c0bA:
undetectable		 3ou6B-3c0bA:
19.58
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.
3c9f 5'-NUCLEOTIDASE

(Candida
albicans) 		PF00149
(Metallophos) 		3 TYR A 228
ASP A 259
ASP A 240
 None
 0.82A 3ou6B-3c9fA:
undetectable		 3ou6B-3c9fA:
18.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3coi MITOGEN-ACTIVATED
PROTEIN KINASE 13

(Homo sapiens) 		PF00069
(Pkinase) 		3 TYR A  36
ASP A 168
ASP A 113
 None
 0.79A 3ou6B-3coiA:
undetectable		 3ou6B-3coiA:
20.68
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.
3dpi NAD+ SYNTHETASE

(Burkholderia
pseudomallei) 		PF02540
(NAD_synthase) 		3 TYR A 155
ASP A 184
ASP A 221
 None
 0.93A 3ou6B-3dpiA:
2.1		 3ou6B-3dpiA:
23.33
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.
3ed5 YFNB

(Bacillus
subtilis) 		PF13419
(HAD_2) 		3 TYR A 160
ASP A 186
ASP A  13
 None
FMT  A 237 ( 4.8A)
None
 0.83A 3ou6B-3ed5A:
undetectable		 3ou6B-3ed5A:
20.82
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.
3gdn R-OXYNITRILE LYASE
ISOENZYME 1

(Prunus dulcis) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		3 TYR A 368
ASP A 395
ASP A 324
 None
 0.85A 3ou6B-3gdnA:
2.4		 3ou6B-3gdnA:
18.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3go4 PROTEIN OF UNKNOWN
FUNCTION DUF574

(Streptomyces
avermitilis) 		PF04672
(Methyltransf_19) 		3 TYR A  27
ASP A 111
ASP A 138
 SAH  A 277 (-4.3A)
SAH  A 277 (-2.7A)
SAH  A 277 (-3.5A)
 0.78A 3ou6B-3go4A:
12.7		 3ou6B-3go4A:
23.42
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.
3gwj ARYLPHORIN

(Antheraea
pernyi) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 TYR A 194
ASP A 461
ASP A 565
 None
 0.86A 3ou6B-3gwjA:
undetectable		 3ou6B-3gwjA:
14.75
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.
3hhr HUMAN GROWTH HORMONE
HUMAN GROWTH HORMONE
RECEPTOR (HGHBP)

(Homo sapiens;
Homo sapiens) 		PF00103
(Hormone_1)
PF00041
(fn3)
PF09067
(EpoR_lig-bind) 		3 TYR B 107
ASP B 126
ASP A 169
 None
 0.91A 3ou6B-3hhrB:
undetectable		 3ou6B-3hhrB:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ldg PUTATIVE
UNCHARACTERIZED
PROTEIN SMU.472

(Streptococcus
mutans) 		PF01170
(UPF0020)
PF02926
(THUMP) 		3 TYR A 363
ASP A 370
ASP A 347
 None
 0.81A 3ou6B-3ldgA:
8.1		 3ou6B-3ldgA:
20.51
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.
3lpp SUCRASE-ISOMALTASE

(Homo sapiens) 		PF00088
(Trefoil)
PF01055
(Glyco_hydro_31)
PF16863
(NtCtMGAM_N) 		3 TYR A 507
ASP A 514
ASP A 425
 None
 0.79A 3ou6B-3lppA:
undetectable		 3ou6B-3lppA:
14.37
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.
3mpp BOTULINUM NEUROTOXIN
TYPE G

(Clostridium
botulinum) 		PF07951
(Toxin_R_bind_C)
PF07953
(Toxin_R_bind_N) 		3 TYR G1107
ASP G1179
ASP G1183
 None
 0.85A 3ou6B-3mppG:
undetectable		 3ou6B-3mppG:
16.48
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3ou6 SAM-DEPENDENT
METHYLTRANSFERASE

(Streptomyces
luridus) 		PF13649
(Methyltransf_25) 		3 TYR A  22
ASP A  75
ASP A  98
 SAM  A 300 (-4.4A)
SAM  A 300 (-2.8A)
SAM  A 300 (-4.0A)
 0.14A 3ou6B-3ou6A:
39.1		 3ou6B-3ou6A:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pmk NUCLEOCAPSID PROTEIN

(Recombinant
vesicular
stomatitis
Indiana virus
rVSV-G/GFP) 		PF00945
(Rhabdo_ncap) 		3 TYR A 191
ASP A 280
ASP A 224
 None
 0.89A 3ou6B-3pmkA:
undetectable		 3ou6B-3pmkA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qqw PUTATIVE CITRATE
LYASE

(Cupriavidus
pinatubonensis) 		PF03328
(HpcH_HpaI) 		3 TYR A 113
ASP A 173
ASP A 178
 None
 0.81A 3ou6B-3qqwA:
undetectable		 3ou6B-3qqwA:
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.
3t8j PURINE NUCLEOSIDASE,
(IUNH-1)

(Sulfolobus
solfataricus) 		PF01156
(IU_nuc_hydro) 		3 TYR A 221
ASP A 238
ASP A   7
 None
NA  A 401 ( 3.9A)
None
 0.87A 3ou6B-3t8jA:
2.2		 3ou6B-3t8jA:
21.45
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.
3tw8 DENN
DOMAIN-CONTAINING
PROTEIN 1B

(Homo sapiens) 		PF02141
(DENN)
PF03455
(dDENN)
PF03456
(uDENN) 		3 TYR A 218
ASP A   3
ASP A 367
 None
 0.93A 3ou6B-3tw8A:
undetectable		 3ou6B-3tw8A:
17.25
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.
3two MANNITOL
DEHYDROGENASE

(Helicobacter
pylori) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		3 TYR A 142
ASP A 120
ASP A 124
 None
 0.92A 3ou6B-3twoA:
6.9		 3ou6B-3twoA:
18.13
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.
3u3y THREE PRIME REPAIR
EXONUCLEASE 1

(Mus musculus) 		no annotation 3 TYR B 129
ASP B  18
ASP B 193
 None
 0.85A 3ou6B-3u3yB:
undetectable		 3ou6B-3u3yB:
21.52
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.
3vsj 2-AMINO-5-CHLOROPHEN
OL 1,6-DIOXYGENASE
ALPHA SUBUNIT

(Comamonas
testosteroni) 		PF02900
(LigB) 		3 TYR A  49
ASP A 118
ASP A  73
 None
None
CL  A 300 (-3.3A)
 0.90A 3ou6B-3vsjA:
undetectable		 3ou6B-3vsjA:
25.09
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.
3zxl HIAXHD3

(Humicola
insolens) 		PF04616
(Glyco_hydro_43) 		3 TYR A  62
ASP A  40
ASP A 291
 None
None
B3P  A1560 (-2.7A)
 0.87A 3ou6B-3zxlA:
undetectable		 3ou6B-3zxlA:
19.10
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.
4amf PHOX

(Pseudomonas
fluorescens) 		PF05787
(DUF839) 		3 TYR A 399
ASP A 447
ASP A 337
 None
None
EDO  A1602 ( 3.3A)
 0.86A 3ou6B-4amfA:
undetectable		 3ou6B-4amfA:
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.
4be9 STEROL ESTERASE

(Ophiostoma
piceae) 		PF00135
(COesterase) 		3 TYR A 144
ASP A 468
ASP A 348
 None
 0.73A 3ou6B-4be9A:
undetectable		 3ou6B-4be9A:
17.55
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.
4cag POLYSACCHARIDE LYASE
FAMILY 11 PROTEIN

(Bacillus
licheniformis) 		PF01839
(FG-GAP) 		3 TYR A 484
ASP A 427
ASP A 379
 None
CA  A 604 (-3.2A)
None
 0.91A 3ou6B-4cagA:
undetectable		 3ou6B-4cagA:
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.
4ddw REVERSE GYRASE

(Thermotoga
maritima) 		PF00270
(DEAD)
PF01131
(Topoisom_bac)
PF01751
(Toprim) 		3 TYR A 593
ASP A 645
ASP A 633
 None
 0.63A 3ou6B-4ddwA:
3.6		 3ou6B-4ddwA:
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.
4etq ANTI-VACCINIA D8L
ANTIGEN MURINE
MONOCLONAL IGG2A
ANTIBODY LA5, HEAVY
CHAIN

(Mus musculus) 		no annotation 3 TYR H  28
ASP H 108
ASP H 105
 None
 0.85A 3ou6B-4etqH:
undetectable		 3ou6B-4etqH:
21.07
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.
4f3s PUTATIVE PERIPLASMIC
BINDING PROTEIN

(Salmonella
enterica) 		PF00497
(SBP_bac_3) 		3 TYR A  92
ASP A 196
ASP A 130
 None
 0.70A 3ou6B-4f3sA:
undetectable		 3ou6B-4f3sA:
20.30
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.
4glr ANTI-PTAU HEAVY
CHAIN
ANTI-PTAU LIGHT
CHAIN

(Gallus gallus;
Gallus gallus) 		PF07654
(C1-set)
PF07686
(V-set)
PF07654
(C1-set)
PF07686
(V-set) 		3 TYR H  32
ASP H 101
ASP I  57
 None
 0.79A 3ou6B-4glrH:
undetectable		 3ou6B-4glrH:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4hyr GLUCARATE
DEHYDRATASE

(Acidaminococcus
intestini) 		PF13378
(MR_MLE_C) 		3 TYR A 358
ASP A 199
ASP A 225
 None
 0.79A 3ou6B-4hyrA:
undetectable		 3ou6B-4hyrA:
19.76
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.
4kpo NUCLEOSIDE
N-RIBOHYDROLASE 3

(Zea mays) 		PF01156
(IU_nuc_hydro) 		3 TYR A 223
ASP A 240
ASP A   6
 None
CA  A 401 (-2.9A)
None
 0.90A 3ou6B-4kpoA:
2.3		 3ou6B-4kpoA:
23.17
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.
4l37 SILKWORM STORAGE
PROTEIN

(Bombyx mori) 		PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C) 		3 TYR A 190
ASP A 457
ASP A 560
 None
None
SCN  A 711 (-4.2A)
 0.85A 3ou6B-4l37A:
undetectable		 3ou6B-4l37A:
14.41
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.
4ler PUTATIVE OUTER
MEMBRANE PROTEIN,
PROBABLY INVOLVED IN
NUTRIENT BINDING

(Bacteroides
vulgatus) 		PF12771
(SusD-like_2) 		3 TYR A 434
ASP A 124
ASP A  85
 None
 0.86A 3ou6B-4lerA:
undetectable		 3ou6B-4lerA:
22.33
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.
4nme PROLINE
DEHYDROGENASE AND
DELTA-1-PYRROLINE-5-
CARBOXYLATE
DEHYDROGENASE

(Geobacter
sulfurreducens) 		PF00171
(Aldedh)
PF01619
(Pro_dh) 		3 TYR A 831
ASP A 601
ASP A 606
 None
 0.54A 3ou6B-4nmeA:
3.7		 3ou6B-4nmeA:
12.15
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.
4opu CONSERVED ARCHAEAL
PROTEIN

(Sulfolobus
acidocaldarius) 		PF01266
(DAO) 		3 TYR A 215
ASP A 183
ASP A 181
 GRG  A 503 ( 4.1A)
GRG  A 502 (-3.4A)
None
 0.93A 3ou6B-4opuA:
2.3		 3ou6B-4opuA:
19.03
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.
4qtu PUTATIVE
METHYLTRANSFERASE
BUD23

(Saccharomyces
cerevisiae) 		PF08241
(Methyltransf_11) 		3 TYR B  22
ASP B  77
ASP B  99
 SAM  B 301 (-4.6A)
SAM  B 301 (-2.6A)
SAM  B 301 (-3.7A)
 0.53A 3ou6B-4qtuB:
15.5		 3ou6B-4qtuB:
25.55
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.
4tx2 NON-RIBOSOMAL
PEPTIDE SYNTHETASE

(Actinoplanes
teichomyceticus) 		PF00668
(Condensation) 		3 TYR B 181
ASP B 145
ASP B 150
 None
 0.94A 3ou6B-4tx2B:
undetectable		 3ou6B-4tx2B:
19.56
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.
4yt9 PEPTIDYLARGININE
DEIMINASE

(Porphyromonas
gingivalis) 		PF04371
(PAD_porph) 		3 TYR A 367
ASP A 187
ASP A 224
 None
 0.93A 3ou6B-4yt9A:
undetectable		 3ou6B-4yt9A:
18.76
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.
5a05 ALDOSE-ALDOSE
OXIDOREDUCTASE

(Caulobacter
vibrioides) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		3 TYR A 189
ASP A 320
ASP A 315
 BGC  A1343 (-4.2A)
None
None
 0.86A 3ou6B-5a05A:
3.0		 3ou6B-5a05A:
20.53
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.
5b3n ANTI-H4K20ME1_SCFV

(Mus musculus) 		PF07686
(V-set) 		3 TYR A  61
ASP A 108
ASP A 111
 None
 0.67A 3ou6B-5b3nA:
undetectable		 3ou6B-5b3nA:
22.10
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.
5brj TWO COMPONENT
RESPONSE REGULATOR

(Agrobacterium
tumefaciens) 		PF00072
(Response_reg) 		3 TYR A 107
ASP A  72
ASP A  11
 None
None
MG  A 201 (-2.5A)
 0.85A 3ou6B-5brjA:
undetectable		 3ou6B-5brjA:
24.23
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.
5bu6 BPSB (PGAB),
POLY-BETA-1,6-N-ACET
YL-D-GLUCOSAMINE
N-DEACETYLASE

(Bordetella
bronchiseptica) 		PF01522
(Polysacc_deac_1) 		3 TYR A 252
ASP A 114
ASP A  50
 None
NI  A 401 (-2.5A)
None
 0.90A 3ou6B-5bu6A:
undetectable		 3ou6B-5bu6A:
24.40
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.
5cgz 4-OXALMESACONATE
HYDRATASE

(Pseudomonas
putida) 		PF02585
(PIG-L) 		3 TYR A 203
ASP A  17
ASP A  89
 None
ZN  A 301 (-2.2A)
None
 0.93A 3ou6B-5cgzA:
2.7		 3ou6B-5cgzA:
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.
5d5t UNCHARACTERIZED
PROTEIN MJ0489

(Methanocaldococcus
jannaschii) 		PF06690
(DUF1188) 		3 TYR A 150
ASP A 140
ASP A 116
 None
 0.93A 3ou6B-5d5tA:
4.1		 3ou6B-5d5tA:
21.58
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.
5d88 PREDICTED PROTEASE
OF THE COLLAGENASE
FAMILY

(Methanopyrus
kandleri) 		PF01136
(Peptidase_U32) 		3 TYR A  40
ASP A  65
ASP A 102
 None
 0.91A 3ou6B-5d88A:
undetectable		 3ou6B-5d88A:
25.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5de0 DEFERROCHELATASE

(Vibrio cholerae) 		PF04261
(Dyp_perox) 		3 TYR A 133
ASP A 135
ASP A 201
 None
 0.81A 3ou6B-5de0A:
undetectable		 3ou6B-5de0A:
21.07
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 ALPHA-L

(Homo sapiens) 		PF00092
(VWA)
PF01839
(FG-GAP)
PF08441
(Integrin_alpha2) 		3 TYR A   1
ASP A 505
ASP A 445
 None
CA  A2003 (-3.4A)
None
 0.88A 3ou6B-5e6sA:
undetectable		 3ou6B-5e6sA:
14.02
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.
5e9h ISOCITRATE LYASE

(Fusarium
graminearum) 		PF00463
(ICL) 		3 TYR A 104
ASP A 179
ASP A 126
 None
 0.93A 3ou6B-5e9hA:
undetectable		 3ou6B-5e9hA:
18.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fp1 TONB-DEPENDENT
SIDEROPHORE RECEPTOR

(Acinetobacter
baumannii) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		3 TYR A 195
ASP A  59
ASP A 664
 None
 0.87A 3ou6B-5fp1A:
undetectable		 3ou6B-5fp1A:
15.25
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.
5gai TAIL FIBER PROTEIN

(Salmonella
virus P22) 		no annotation 3 TYR Y 591
ASP Y 603
ASP Y 573
 None
 0.85A 3ou6B-5gaiY:
undetectable		 3ou6B-5gaiY:
16.29
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.
5gjw VOLTAGE-DEPENDENT
CALCIUM CHANNEL
SUBUNIT
ALPHA-2/DELTA-1

(Oryctolagus
cuniculus) 		PF00092
(VWA)
PF08399
(VWA_N)
PF08473
(VGCC_alpha2) 		3 TYR F 349
ASP F 255
ASP F 288
 None
 0.88A 3ou6B-5gjwF:
undetectable		 3ou6B-5gjwF:
11.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gqf LACTO-N-BIOSIDASE

(Bifidobacterium
longum) 		no annotation 3 TYR A 370
ASP A 291
ASP A 179
 None
 0.94A 3ou6B-5gqfA:
undetectable		 3ou6B-5gqfA:
17.50
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.
5iz3 PREDICTED PROTEIN

(Physcomitrella
patens) 		PF00316
(FBPase) 		3 TYR B 292
ASP B 181
ASP B 137
 PO4  B 402 (-4.8A)
None
None
 0.94A 3ou6B-5iz3B:
undetectable		 3ou6B-5iz3B:
21.54
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.
5jvk UNCHARACTERIZED
PROTEIN

(Bacteroides
cellulosilyticus) 		no annotation 3 TYR A 144
ASP A 141
ASP A 424
 None
 0.83A 3ou6B-5jvkA:
undetectable		 3ou6B-5jvkA:
16.13