SIMILAR PATTERNS OF AMINO ACIDS FOR 2X2I_A_QPSA1060_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.
1flg PROTEIN
(QUINOPROTEIN
ETHANOL
DEHYDROGENASE)

(Pseudomonas
aeruginosa) 		PF01011
(PQQ)
PF13360
(PQQ_2) 		5 VAL A 428
PHE A 426
ASN A 360
VAL A 350
ALA A 340
 None
 1.00A 2x2iA-1flgA:
undetectable		 2x2iA-1flgA:
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.
1foh PHENOL HYDROXYLASE

(Cutaneotrichosporon
cutaneum) 		PF01494
(FAD_binding_3)
PF07976
(Phe_hydrox_dim) 		5 THR A 372
PHE A 414
GLY A 454
ALA A 452
GLN A 368
 None
 1.21A 2x2iA-1fohA:
0.0		 2x2iA-1fohA:
19.85
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.
1hpg GLUTAMIC ACID
SPECIFIC PROTEASE

(Streptomyces
griseus) 		no annotation 5 VAL A 231
SER A 207
VAL A 118
GLY A  18
ALA A 198
 None
 1.25A 2x2iA-1hpgA:
undetectable		 2x2iA-1hpgA:
10.91
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.
1kb0 QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 VAL A 416
PHE A 446
THR A 597
VAL A 605
GLY A 609
 None
None
GOL  A1824 ( 4.6A)
None
None
 1.17A 2x2iA-1kb0A:
undetectable		 2x2iA-1kb0A:
21.12
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.
1khw RNA-DIRECTED RNA
POLYMERASE

(Rabbit
hemorrhagic
disease virus) 		PF00680
(RdRP_1) 		5 PHE A 401
THR A 228
VAL A 225
GLY A 224
ALA A 222
 None
 1.24A 2x2iA-1khwA:
undetectable		 2x2iA-1khwA:
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.
1n5x XANTHINE
DEHYDROGENASE

(Bos taurus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 THR A 262
VAL A 345
SER A  69
SER A 123
GLY A  46
 FAD  A3005 (-3.2A)
None
None
None
FES  A3002 ( 3.1A)
 1.11A 2x2iA-1n5xA:
undetectable		 2x2iA-1n5xA:
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.
1nvj MOLYBDOPTERIN
CONVERTING FACTOR
SUBUNIT 2

(Escherichia
coli) 		PF02391
(MoaE) 		5 VAL A  95
PHE A  96
THR A   4
VAL A  99
GLY A 111
 None
 1.19A 2x2iA-1nvjA:
undetectable		 2x2iA-1nvjA:
8.70
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.
1q2e EXOCELLOBIOHYDROLASE
I

(Trichoderma
reesei) 		PF00840
(Glyco_hydro_7) 		5 THR A  66
THR A  55
TRP A  56
VAL A 189
ALA A 187
 None
 1.27A 2x2iA-1q2eA:
undetectable		 2x2iA-1q2eA:
17.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		5 VAL A 518
SER A 409
SER A 410
VAL A 332
GLY A 333
 None
 0.99A 2x2iA-1ukcA:
undetectable		 2x2iA-1ukcA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1umb 2-OXO ACID
DEHYDROGENASE ALPHA
SUBUNIT

(Thermus
thermophilus) 		PF00676
(E1_dh) 		5 VAL A 247
ASN A 203
VAL A 267
GLY A 237
ALA A  76
 None
 1.26A 2x2iA-1umbA:
undetectable		 2x2iA-1umbA:
16.46
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.
1wp9 ATP-DEPENDENT RNA
HELICASE, PUTATIVE

(Pyrococcus
furiosus) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 THR A  49
VAL A   2
PHE A  76
VAL A  55
ALA A  44
 None
 1.14A 2x2iA-1wp9A:
undetectable		 2x2iA-1wp9A:
19.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xje RIBONUCLEOTIDE
REDUCTASE,
B12-DEPENDENT

(Thermotoga
maritima) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC) 		5 THR A 157
SER A 318
THR A 319
ASN A 320
GLY A 161
 None
None
None
GDP  A1002 (-3.7A)
GDP  A1002 (-4.4A)
 1.23A 2x2iA-1xjeA:
2.0		 2x2iA-1xjeA:
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.
2bod ENDOGLUCANASE E-2

(Thermobifida
fusca) 		PF01341
(Glyco_hydro_6) 		5 VAL X  71
SER X 220
ASN X 190
GLY X 158
ALA X 185
 None
None
SGC  X1288 ( 3.8A)
None
None
 1.17A 2x2iA-2bodX:
2.3		 2x2iA-2bodX:
14.30
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.
2cuk GLYCERATE
DEHYDROGENASE/GLYOXY
LATE REDUCTASE

(Thermus
thermophilus) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 THR A 275
ASN A 271
VAL A 113
GLY A 251
ALA A 112
 None
 1.26A 2x2iA-2cukA:
undetectable		 2x2iA-2cukA:
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.
2e11 HYDROLASE

(Xanthomonas
campestris) 		PF00795
(CN_hydrolase) 		5 THR A 239
VAL A 219
PHE A 197
TRP A 136
GLN A 227
 None
 1.27A 2x2iA-2e11A:
undetectable		 2x2iA-2e11A:
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.
2e2n HEXOKINASE

(Sulfurisphaera
tokodaii) 		PF01869
(BcrAD_BadFG) 		5 VAL A  52
THR A  80
VAL A  67
GLY A  66
ALA A   9
 None
 1.06A 2x2iA-2e2nA:
undetectable		 2x2iA-2e2nA:
15.85
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.
2h1c TRAFFICKING PROTEIN
B

(Neisseria
gonorrhoeae) 		PF01850
(PIN) 		5 VAL A  82
SER A  36
THR A   6
VAL A 118
ALA A 111
 None
MG  A 205 ( 2.5A)
None
None
None
 1.12A 2x2iA-2h1cA:
undetectable		 2x2iA-2h1cA:
8.98
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.
2kzt PROGRAMMED CELL
DEATH PROTEIN 4

(Homo sapiens) 		PF02847
(MA3) 		5 THR A 277
ASN A 276
VAL A 269
GLY A 270
ALA A 266
 None
 0.99A 2x2iA-2kztA:
undetectable		 2x2iA-2kztA:
9.74
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.
2m2b RNA-BINDING PROTEIN
10

(Homo sapiens) 		PF00076
(RRM_1) 		5 SER A  39
THR A  99
ASN A  30
GLY A  68
ALA A  70
 None
 1.05A 2x2iA-2m2bA:
undetectable		 2x2iA-2m2bA:
8.14
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.
2pbi GUANINE
NUCLEOTIDE-BINDING
PROTEIN SUBUNIT BETA
5

(Mus musculus) 		PF00400
(WD40) 		5 PHE B 254
ASN B 243
VAL B 242
GLY B 216
ALA B 221
 None
 1.19A 2x2iA-2pbiB:
3.2		 2x2iA-2pbiB:
16.99
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.
2q2e TYPE 2 DNA
TOPOISOMERASE 6
SUBUNIT B

(Methanosarcina
mazei) 		PF02518
(HATPase_c)
PF09239
(Topo-VIb_trans) 		5 VAL B 335
PHE B 337
VAL B 455
GLY B 358
ALA B 339
 None
 1.04A 2x2iA-2q2eB:
undetectable		 2x2iA-2q2eB:
20.31
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.
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 PHE A 156
THR A 200
GLY A 228
ALA A 230
GLN A 120
 None
 1.19A 2x2iA-2qo3A:
undetectable		 2x2iA-2qo3A:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qq6 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 VAL A 334
THR A 324
ASN A 317
VAL A 290
ALA A 299
 None
 1.17A 2x2iA-2qq6A:
4.5		 2x2iA-2qq6A:
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.
2rtt CHIC

(Streptomyces
coelicolor) 		PF00553
(CBM_2) 		5 VAL A  47
SER A  80
THR A  23
VAL A  37
ALA A  64
 None
 1.13A 2x2iA-2rttA:
undetectable		 2x2iA-2rttA:
8.25
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.
2wu8 GLUCOSE-6-PHOSPHATE
ISOMERASE

(Mycobacterium
tuberculosis) 		PF00342
(PGI) 		5 VAL A 493
PHE A 494
THR A  92
ASN A  91
VAL A  98
 None
 1.19A 2x2iA-2wu8A:
undetectable		 2x2iA-2wu8A:
21.33
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.
2xfe CARBOHYDRATE BINDING
MODULE

(Escherichia
coli) 		PF16841
(CBM60) 		5 SER A  18
THR A  53
VAL A  61
GLY A  10
ALA A   8
 None
 1.19A 2x2iA-2xfeA:
undetectable		 2x2iA-2xfeA:
7.71
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.
2xzo REGULATOR OF
NONSENSE TRANSCRIPTS
1

(Homo sapiens) 		PF04851
(ResIII)
PF13086
(AAA_11)
PF13087
(AAA_12) 		5 VAL A 310
SER A 419
THR A 616
VAL A 648
ALA A 426
 None
U  D   5 ( 3.5A)
U  D   6 ( 2.8A)
1PE  A1003 ( 4.0A)
1PE  A1003 (-3.6A)
 1.25A 2x2iA-2xzoA:
undetectable		 2x2iA-2xzoA:
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.
2zqb RIBONUCLEASE HI

(Shewanella
oneidensis) 		PF00075
(RNase_H) 		5 THR A  44
SER A  73
SER A  71
THR A  11
GLY A  23
 None
 1.22A 2x2iA-2zqbA:
undetectable		 2x2iA-2zqbA:
10.63
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.
2zxq ENDO-ALPHA-N-ACETYLG
ALACTOSAMINIDASE

(Bifidobacterium
longum) 		PF12905
(Glyco_hydro_101)
PF17451
(Glyco_hyd_101C) 		5 VAL A 964
SER A 912
THR A 908
GLY A 991
ALA A 989
 None
 1.15A 2x2iA-2zxqA:
6.8		 2x2iA-2zxqA:
21.99
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.
3a1i AMIDASE

(Rhodococcus sp.
N-771) 		PF01425
(Amidase) 		5 VAL A 184
ASN A 160
VAL A 158
GLY A 173
ALA A  73
 None
 1.23A 2x2iA-3a1iA:
undetectable		 2x2iA-3a1iA:
20.50
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.
3cze SUCROSE HYDROLASE

(Xanthomonas
citri) 		PF00128
(Alpha-amylase) 		5 VAL A 425
PHE A 420
SER A 358
GLY A 432
ALA A 430
 None
 1.24A 2x2iA-3czeA:
12.5		 2x2iA-3czeA:
21.00
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.
3dja PROTEIN CT_858

(Chlamydia
trachomatis) 		PF03572
(Peptidase_S41) 		5 VAL A 193
SER A  88
SER A  86
GLY A 222
ALA A 112
 None
 1.10A 2x2iA-3djaA:
undetectable		 2x2iA-3djaA:
19.40
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.
3fgb UNCHARACTERIZED
PROTEIN Q89ZH8_BACTN

(Bacteroides
thetaiotaomicron) 		PF10282
(Lactonase) 		5 PHE A 164
SER A 143
SER A 145
VAL A 182
ALA A 193
 None
 1.24A 2x2iA-3fgbA:
undetectable		 2x2iA-3fgbA:
16.86
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.
3g10 CCR4-NOT COMPLEX
SUBUNIT CAF1

(Schizosaccharomyces
pombe) 		PF04857
(CAF1) 		5 THR A  51
THR A  74
ASN A  78
VAL A  79
ALA A 173
 None
 1.18A 2x2iA-3g10A:
undetectable		 2x2iA-3g10A:
16.11
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.
3h08 RNH (RIBONUCLEASE H)

(Chlorobaculum
tepidum) 		PF00075
(RNase_H) 		5 THR A  42
SER A  69
THR A   9
GLY A  21
ALA A  12
 None
MG  A 501 (-3.4A)
None
None
None
 1.26A 2x2iA-3h08A:
undetectable		 2x2iA-3h08A:
9.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h08 RNH (RIBONUCLEASE H)

(Chlorobaculum
tepidum) 		PF00075
(RNase_H) 		5 THR A  42
SER A  71
SER A  69
THR A   9
GLY A  21
 None
MG  A 501 ( 4.8A)
MG  A 501 (-3.4A)
None
None
 1.13A 2x2iA-3h08A:
undetectable		 2x2iA-3h08A:
9.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h9p PUTATIVE
TRIPHOSPHORIBOSYL-DE
PHOSPHO-COA SYNTHASE

(Archaeoglobus
fulgidus) 		PF01874
(CitG) 		5 PHE A 181
SER A 184
SER A 266
THR A 263
GLY A  86
 None
 1.20A 2x2iA-3h9pA:
undetectable		 2x2iA-3h9pA:
13.33
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.
3ide CAPSID PROTEIN VP2

(Infectious
pancreatic
necrosis virus) 		PF01766
(Birna_VP2) 		5 SER A 140
SER A 135
VAL A  52
GLY A  51
ALA A 354
 None
 1.16A 2x2iA-3ideA:
undetectable		 2x2iA-3ideA:
18.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ios DISULFIDE BOND
FORMING PROTEIN
(DSBF)

(Mycobacterium
tuberculosis) 		PF00578
(AhpC-TSA) 		5 PHE A 118
TRP A  75
VAL A  91
GLY A  92
ALA A  88
 None
 1.19A 2x2iA-3iosA:
undetectable		 2x2iA-3iosA:
8.57
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.
3ipc ABC TRANSPORTER,
SUBSTRATE BINDING
PROTEIN (AMINO ACID)

(Agrobacterium
fabrum) 		PF13458
(Peripla_BP_6) 		5 VAL A  73
ASN A  78
VAL A  81
GLY A  58
ALA A  85
 None
 1.18A 2x2iA-3ipcA:
undetectable		 2x2iA-3ipcA:
16.23
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.
3kbg 30S RIBOSOMAL
PROTEIN S4E

(Thermoplasma
acidophilum) 		PF00900
(Ribosomal_S4e)
PF01479
(S4) 		5 ASN A 184
VAL A 183
GLY A 101
ALA A 179
GLN A  36
 None
 1.04A 2x2iA-3kbgA:
undetectable		 2x2iA-3kbgA:
13.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kvo HYDROXYSTEROID
DEHYDROGENASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00106
(adh_short) 		5 PHE A  14
SER A 133
THR A 129
GLY A  17
ALA A  40
 None
None
None
NAP  A 501 (-3.3A)
None
 1.05A 2x2iA-3kvoA:
2.4		 2x2iA-3kvoA:
15.84
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.
3mg0 PROTEASOME COMPONENT
PRE6

(Saccharomyces
cerevisiae) 		PF00227
(Proteasome)
PF10584
(Proteasome_A_N) 		5 SER C  72
SER C 219
VAL C 107
ALA C  96
GLN C  97
 None
 1.15A 2x2iA-3mg0C:
undetectable		 2x2iA-3mg0C:
13.01
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.
3ocr CLASS II
ALDOLASE/ADDUCIN
DOMAIN PROTEIN

(Pseudomonas
savastanoi) 		PF00596
(Aldolase_II) 		5 VAL A 155
PHE A 151
SER A 148
SER A 145
GLY A 131
 None
 1.16A 2x2iA-3ocrA:
undetectable		 2x2iA-3ocrA:
14.83
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.
3qyq DEOXYRIBOSE-PHOSPHAT
E ALDOLASE, PUTATIVE

(Toxoplasma
gondii) 		no annotation 5 VAL A 137
SER A  50
VAL A  56
GLY A 102
ALA A  98
 None
 1.13A 2x2iA-3qyqA:
5.4		 2x2iA-3qyqA:
14.05
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.
3rby UNCHARACTERIZED
PROTEIN YLR301W

(Saccharomyces
cerevisiae) 		PF16815
(HRI1) 		5 SER A 232
THR A 231
ASN A 236
TRP A 237
VAL A 160
 None
 1.13A 2x2iA-3rbyA:
2.5		 2x2iA-3rbyA:
13.57
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.
3t8l ADENINE DEAMINASE 2

(Agrobacterium
fabrum) 		PF01979
(Amidohydro_1)
PF13382
(Adenine_deam_C) 		5 VAL A 445
PHE A 485
THR A 462
TRP A 464
ALA A 564
 None
 1.07A 2x2iA-3t8lA:
6.2		 2x2iA-3t8lA:
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.
3tvk DIGUANYLATE CYCLASE
DGCZ

(Escherichia
coli) 		PF00990
(GGDEF) 		5 THR A 196
VAL A 202
PHE A 210
THR A 250
VAL A 233
 None
 1.27A 2x2iA-3tvkA:
undetectable		 2x2iA-3tvkA:
11.23
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.
3uve CARVEOL
DEHYDROGENASE
((+)-TRANS-CARVEOL
DEHYDROGENASE)

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 VAL A  67
SER A 254
ASN A 107
VAL A 105
ALA A  10
 None
None
NAD  A 300 (-3.3A)
None
None
 1.22A 2x2iA-3uveA:
undetectable		 2x2iA-3uveA:
15.26
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.
3vw5 CELLOBIOSE
2-EPIMERASE

(Ruminococcus
albus) 		PF07221
(GlcNAc_2-epim) 		5 THR A 300
ASN A 290
VAL A 305
GLY A 242
ALA A 309
 None
 1.25A 2x2iA-3vw5A:
undetectable		 2x2iA-3vw5A:
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.
3w5n PUTATIVE
RHAMNOSIDASE

(Streptomyces
avermitilis) 		PF05592
(Bac_rhamnosid)
PF08531
(Bac_rhamnosid_N)
PF17389
(Bac_rhamnosid6H)
PF17390
(Bac_rhamnosid_C) 		5 VAL A 967
THR A1005
VAL A1021
GLY A1022
ALA A 990
 None
 1.08A 2x2iA-3w5nA:
7.1		 2x2iA-3w5nA:
21.97
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 THR A 269
VAL A 352
SER A  73
SER A 127
GLY A  50
 FAD  A3005 (-3.0A)
None
None
None
FES  A3002 ( 3.1A)
 1.16A 2x2iA-3zyvA:
undetectable		 2x2iA-3zyvA:
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.
4b2o YMDB
PHOSPHODIESTERASE

(Bacillus
subtilis) 		PF13277
(YmdB) 		5 SER A  54
SER A  58
VAL A   9
GLY A  11
ALA A  41
 None
 1.12A 2x2iA-4b2oA:
2.3		 2x2iA-4b2oA:
14.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC

(Escherichia
coli) 		PF01520
(Amidase_3)
PF11741
(AMIN) 		5 SER A 369
SER A 332
THR A 328
GLY A 176
ALA A 258
 None
 1.27A 2x2iA-4binA:
undetectable		 2x2iA-4binA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bin N-ACETYLMURAMOYL-L-A
LANINE AMIDASE AMIC

(Escherichia
coli) 		PF01520
(Amidase_3)
PF11741
(AMIN) 		5 VAL A 250
SER A 369
SER A 332
GLY A 176
ALA A 258
 None
 1.22A 2x2iA-4binA:
undetectable		 2x2iA-4binA:
17.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4chb KELCH-LIKE PROTEIN 2

(Homo sapiens) 		PF01344
(Kelch_1) 		5 VAL A 509
SER A 487
SER A 439
THR A 392
GLY A 550
 None
 1.24A 2x2iA-4chbA:
2.1		 2x2iA-4chbA:
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.
4eca L-ASPARAGINE
AMIDOHYDROLASE

(Escherichia
coli) 		PF00710
(Asparaginase) 		5 THR A  86
SER A 118
THR A  26
GLY A  88
ALA A 114
 None
AEI  A  12 ( 4.5A)
None
AEI  A  12 ( 3.2A)
AEI  A  12 ( 4.4A)
 1.14A 2x2iA-4ecaA:
undetectable		 2x2iA-4ecaA:
16.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fc7 PEROXISOMAL
2,4-DIENOYL-COA
REDUCTASE

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 PHE A  32
SER A 145
THR A 141
GLY A  35
ALA A  58
 None
None
None
NAP  A 401 (-3.5A)
None
 1.13A 2x2iA-4fc7A:
undetectable		 2x2iA-4fc7A:
14.16
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.
4fdg MINICHROMOSOME
MAINTENANCE PROTEIN
MCM

(Sulfolobus
solfataricus) 		no annotation 5 THR B 425
ASN B 438
VAL B 394
GLY B 228
ALA B 390
 None
 1.07A 2x2iA-4fdgB:
undetectable		 2x2iA-4fdgB:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fgv CHROMOSOME REGION
MAINTENANCE 1 (CRM1)
OR EXPORTIN 1 (XPO1)

(Chaetomium
thermophilum) 		PF03810
(IBN_N)
PF08389
(Xpo1)
PF08767
(CRM1_C) 		5 THR A1003
PHE A1010
VAL A 986
GLY A 987
ALA A 983
 None
 1.19A 2x2iA-4fgvA:
undetectable		 2x2iA-4fgvA:
21.06
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.
4gax AMORPHA-4,11-DIENE
SYNTHASE

(Artemisia annua) 		PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C) 		5 THR A 408
VAL A 291
PHE A 340
TRP A 321
GLY A 363
 None
 1.15A 2x2iA-4gaxA:
undetectable		 2x2iA-4gaxA:
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.
4gtn ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Acinetobacter
sp. ADP1) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 VAL A 113
SER A 250
SER A 253
VAL A 240
GLY A 215
 None
 1.25A 2x2iA-4gtnA:
undetectable		 2x2iA-4gtnA:
16.17
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.
4j0m SERINE/THREONINE-PRO
TEIN KINASE
BRI1-LIKE 1

(Arabidopsis
thaliana) 		PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 SER A 197
SER A 221
THR A 246
ASN A 249
GLY A 226
 None
None
None
None
NAG  A 813 ( 3.7A)
 1.13A 2x2iA-4j0mA:
undetectable		 2x2iA-4j0mA:
21.77
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.
4jig DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF13561
(adh_short_C2) 		5 VAL A  79
THR A  23
VAL A  52
GLY A  57
ALA A  59
 None
 1.19A 2x2iA-4jigA:
2.4		 2x2iA-4jigA:
13.73
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.
4jjp PHOSPHOMETHYLPYRIMID
INE KINASE

(Clostridioides
difficile) 		PF08543
(Phos_pyr_kin) 		5 THR A  44
VAL A  51
SER A 112
ALA A  20
GLN A  46
 None
 1.08A 2x2iA-4jjpA:
undetectable		 2x2iA-4jjpA:
12.34
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.
4l1m E3 UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 PHE A 463
SER A 479
THR A 481
TRP A 433
GLY A 447
 None
UNX  A 807 ( 3.1A)
None
None
None
 1.23A 2x2iA-4l1mA:
undetectable		 2x2iA-4l1mA:
16.40
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.
4od5 4-HYDROXYBENZOATE
OCTAPRENYLTRANSFERAS
E

(Aeropyrum
pernix) 		PF01040
(UbiA) 		5 VAL A 137
PHE A  15
SER A  12
VAL A 171
GLY A 130
 None
None
GST  A 301 ( 4.1A)
None
None
 1.19A 2x2iA-4od5A:
undetectable		 2x2iA-4od5A:
13.58
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.
4omb PHOSPHATE BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF12849
(PBP_like_2) 		5 VAL A 271
SER A 294
THR A 296
VAL A 301
ALA A 121
 None
 1.17A 2x2iA-4ombA:
undetectable		 2x2iA-4ombA:
15.66
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.
4ou2 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Pseudomonas
fluorescens) 		PF00171
(Aldedh) 		5 PHE A 175
ASN A 187
VAL A 189
GLY A 163
ALA A 191
 None
 1.09A 2x2iA-4ou2A:
undetectable		 2x2iA-4ou2A:
18.30
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.
4p8b TRAP-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Cupriavidus
necator) 		PF03480
(DctP) 		5 VAL A 144
THR A  80
ASN A 100
GLY A  96
ALA A  94
 None
None
X2X  A 403 (-3.2A)
None
None
 1.21A 2x2iA-4p8bA:
undetectable		 2x2iA-4p8bA:
15.19
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.
4pev MEMBRANE LIPOPROTEIN
FAMILY PROTEIN

(Aeropyrum
pernix) 		PF02608
(Bmp) 		5 PHE A 276
SER A 303
ASN A 289
GLY A 261
ALA A 265
 None
 1.17A 2x2iA-4pevA:
undetectable		 2x2iA-4pevA:
17.83
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.
4pqj PHOSPHATE BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF12849
(PBP_like_2) 		5 VAL A 271
SER A 294
THR A 296
VAL A 301
ALA A 121
 None
 1.19A 2x2iA-4pqjA:
undetectable		 2x2iA-4pqjA:
13.89
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.
4rzi 3-KETOACYL-ACYL
CARRIER PROTEIN
REDUCTASE

(Synechocystis
sp. PCC 6803) 		no annotation 5 VAL B  12
SER B 113
THR B  57
ASN B  55
ALA B  65
 None
 0.99A 2x2iA-4rziB:
undetectable		 2x2iA-4rziB:
13.76
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.
4toq CLASS III CHITINASE

(Punica granatum) 		PF00704
(Glyco_hydro_18) 		5 THR A  19
VAL A  28
SER A  31
ASN A  10
GLY A  14
 None
 1.04A 2x2iA-4toqA:
9.2		 2x2iA-4toqA:
13.69
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.
4u3w 2-AMINOMUCONATE
6-SEMIALDEHYDE
DEHYDROGENASE

(Burkholderia
cenocepacia) 		PF00171
(Aldedh) 		5 PHE A 170
ASN A 182
VAL A 184
GLY A 158
ALA A 186
 None
 1.06A 2x2iA-4u3wA:
undetectable		 2x2iA-4u3wA:
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.
4ydk HEAVY CHAIN OF
ANTIBODY
C38-VRC16.01
LIGHT CHAIN OF
ANTIBODY
C38-VRC16.01

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H  97
SER L  91
VAL H  50
GLY H  35
ALA H  33
 GOL  H 303 (-4.4A)
None
None
None
None
 1.12A 2x2iA-4ydkH:
undetectable		 2x2iA-4ydkH:
13.21
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.
4ysw XANTHINE
DEHYDROGENASE/OXIDAS
E

(Rattus
norvegicus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 THR A 261
VAL A 344
SER A  69
SER A 122
GLY A  46
 FAD  A3004 (-2.9A)
None
None
None
FES  A3002 ( 3.3A)
 1.14A 2x2iA-4yswA:
undetectable		 2x2iA-4yswA:
21.39
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.
4zh7 OUTER MEMBRANE
PROTEIN-ADHESIN

(Helicobacter
pylori) 		no annotation 5 SER A 132
SER A 130
THR A 419
VAL A 417
GLN A 161
 None
 1.20A 2x2iA-4zh7A:
undetectable		 2x2iA-4zh7A:
19.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ztu DNA POLYMERASE
SUBUNIT GAMMA-2,
MITOCHONDRIAL

(Homo sapiens) 		PF03129
(HGTP_anticodon) 		5 VAL B 338
SER B 117
VAL B 125
GLY B 207
ALA B 209
 None
 1.23A 2x2iA-4ztuB:
undetectable		 2x2iA-4ztuB:
17.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ahk ACETOLACTATE
SYNTHASE II, LARGE
SUBUNIT

(Pseudomonas
protegens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 PHE A  97
THR A  79
ASN A  80
GLY A  50
ALA A  52
 None
 1.25A 2x2iA-5ahkA:
undetectable		 2x2iA-5ahkA:
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.
5bu9 BETA-N-ACETYLHEXOSAM
INIDASE

(Beutenbergia
cavernae) 		PF00933
(Glyco_hydro_3) 		5 VAL A 118
ASN A 197
VAL A 247
GLY A 186
ALA A 190
 None
 1.14A 2x2iA-5bu9A:
4.0		 2x2iA-5bu9A:
15.92
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.
5c53 POL GAMMA B

(Homo sapiens) 		PF03129
(HGTP_anticodon) 		5 VAL B 338
SER B 117
VAL B 125
GLY B 207
ALA B 209
 None
 1.24A 2x2iA-5c53B:
undetectable		 2x2iA-5c53B:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cyk RIBOSOME BIOGENESIS
PROTEIN YTM1

(Chaetomium
thermophilum) 		PF00400
(WD40)
PF08154
(NLE) 		5 THR A  22
VAL A  96
SER A 420
SER A 435
GLN A  94
 None
 1.19A 2x2iA-5cykA:
2.1		 2x2iA-5cykA:
17.42
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.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		5 SER A 225
SER A 224
ASN A  73
VAL A  72
GLY A   4
 None
 1.19A 2x2iA-5dk6A:
undetectable		 2x2iA-5dk6A:
13.84
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.
5dqp EDTA MONOOXYGENASE

(EDTA-degrading
bacterium BNC1) 		PF00296
(Bac_luciferase) 		5 THR A  94
ASN A 123
TRP A 122
VAL A 210
GLY A 227
 PE4  A 501 (-2.8A)
PE4  A 501 (-3.2A)
None
None
None
 1.19A 2x2iA-5dqpA:
undetectable		 2x2iA-5dqpA:
16.89
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.
5f7c ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 THR A 459
THR A 237
GLY A 462
ALA A 484
GLN A 488
 None
 1.22A 2x2iA-5f7cA:
28.8		 2x2iA-5f7cA:
22.37
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.
5f9a ADHESIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN,ADHESIN,ADHE
SIN BINDING
FUCOSYLATED
HISTO-BLOOD GROUP
ANTIGEN

(Helicobacter
pylori) 		no annotation 5 SER A 132
SER A 130
THR A 413
VAL A 411
GLN A 161
 None
 1.23A 2x2iA-5f9aA:
undetectable		 2x2iA-5f9aA:
19.77
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.
5gwj DNA TOPOISOMERASE
2-BETA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 THR A 808
ASN A 786
GLY A 813
ALA A 816
GLN A 805
 None
MG  A1304 ( 4.8A)
None
None
None
 1.19A 2x2iA-5gwjA:
undetectable		 2x2iA-5gwjA:
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.
5gxf ACRYLYL-COA
REDUCTASE ACUI

(Ruegeria
pomeroyi) 		PF00107
(ADH_zinc_N) 		5 THR A  89
VAL A 113
VAL A 127
GLY A 128
ALA A 124
 None
 1.16A 2x2iA-5gxfA:
undetectable		 2x2iA-5gxfA:
15.04
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.
5ix8 PUTATIVE SUGAR ABC
TRANSPORT SYSTEM,
SUBSTRATE-BINDING
PROTEIN

(Bordetella
parapertussis) 		PF13407
(Peripla_BP_4) 		5 THR A  60
THR A 111
VAL A 114
GLY A  58
ALA A 117
 None
 1.09A 2x2iA-5ix8A:
undetectable		 2x2iA-5ix8A:
15.41
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.
5iz5 CYTOSOLIC
PHOSPHOLIPASE A2
DELTA

(Homo sapiens) 		no annotation 5 VAL B 354
PHE B 357
SER B 358
SER B 655
THR B 654
 None
 1.13A 2x2iA-5iz5B:
undetectable		 2x2iA-5iz5B:
22.23
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.
5kf7 BIFUNCTIONAL PROTEIN
PUTA

(Sinorhizobium
meliloti) 		PF00171
(Aldedh)
PF01619
(Pro_dh)
PF14850
(Pro_dh-DNA_bdg) 		5 THR A 156
SER A 163
VAL A  99
GLY A 148
ALA A 144
 None
SO4  A2008 ( 4.3A)
None
None
None
 0.89A 2x2iA-5kf7A:
6.2		 2x2iA-5kf7A:
21.91
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.
5kkb MANNOSYL-OLIGOSACCHA
RIDE
1,2-ALPHA-MANNOSIDAS
E IA

(Mus musculus) 		PF01532
(Glyco_hydro_47) 		5 VAL A 375
SER A 416
THR A 635
ASN A 634
ALA A 424
 None
MAN  A 708 ( 4.7A)
MAN  A 709 (-3.1A)
None
None
 1.27A 2x2iA-5kkbA:
undetectable		 2x2iA-5kkbA:
18.30
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1) 		no annotation 5 VAL B 363
ASN B 555
VAL B 554
GLY B 579
ALA B 439
 None
 1.12A 2x2iA-5nd1B:
undetectable		 2x2iA-5nd1B:
5.39
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.
5tr1 CHLORIDE CHANNEL
PROTEIN

(Bos taurus) 		PF00654
(Voltage_CLC) 		5 VAL A 227
PHE A 222
THR A 211
VAL A 166
GLY A 167
 None
 1.25A 2x2iA-5tr1A:
undetectable		 2x2iA-5tr1A:
20.65
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.
5wbl REGULATORY-ASSOCIATE
D PROTEIN OF TOR 1

(Arabidopsis
thaliana) 		no annotation 5 PHE A 488
THR A 353
VAL A 502
GLY A 503
ALA A 499
 None
 1.20A 2x2iA-5wblA:
2.6		 2x2iA-5wblA:
5.38
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.
5x6s ACETYLXYLAN ESTERASE
A

(Aspergillus
awamori) 		PF10503
(Esterase_phd) 		5 THR A  15
SER A  79
SER A 152
THR A 154
ALA A  82
 None
None
NAG  A 301 (-4.4A)
None
None
 1.03A 2x2iA-5x6sA:
undetectable		 2x2iA-5x6sA:
13.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5yap SCYLLO-INOSITOL
DEHYDROGENASE WITH
L-GLUCOSE
DEHYDROGENASE
ACTIVITY

(Paracoccus
laeviglucosivorans) 		no annotation 5 VAL A  10
THR A  31
ASN A  28
VAL A 327
ALA A 330
 None
 1.11A 2x2iA-5yapA:
undetectable		 2x2iA-5yapA:
5.69
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.
6em0 2-HYDROXYBIPHENYL-3-
MONOOXYGENASE

(Pseudomonas
nitroreducens) 		no annotation 5 THR A 304
ASN A 303
VAL A 315
GLY A 312
ALA A 314
 None
None
None
FAD  A 601 (-3.3A)
None
 1.20A 2x2iA-6em0A:
undetectable		 2x2iA-6em0A:
5.93