SIMILAR PATTERNS OF AMINO ACIDS FOR 2X2I_C_QPSC1060

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
 1.03A 2x2iC-1flgA:
1.7		 2x2iC-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.
1frd HETEROCYST [2FE-2S]
FERREDOXIN

(Nostoc sp. PCC
7120) 		PF00111
(Fer2) 		5 SER A  85
VAL A  53
GLY A  74
ALA A  76
GLN A  60
 None
 1.25A 2x2iC-1frdA:
undetectable		 2x2iC-1frdA:
8.24
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.
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
 1.25A 2x2iC-1khwA:
undetectable		 2x2iC-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.
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 2x2iC-1nvjA:
undetectable		 2x2iC-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.
1pek PROTEINASE K

(Parengyodontium
album) 		PF00082
(Peptidase_S8) 		5 SER E 132
SER E 130
VAL E 180
GLY E 181
ALA E 159
 None
 1.23A 2x2iC-1pekE:
undetectable		 2x2iC-1pekE:
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.
1pn3 GLYCOSYLTRANSFERASE
GTFA

(Amycolatopsis
orientalis) 		PF03033
(Glyco_transf_28) 		5 VAL A 224
SER A 347
VAL A 336
GLY A 335
ALA A 355
 None
 1.29A 2x2iC-1pn3A:
undetectable		 2x2iC-1pn3A:
18.37
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.
1so8 3-HYDROXYACYL-COA
DEHYDROGENASE TYPE
II

(Homo sapiens) 		PF00106
(adh_short) 		5 THR A  66
SER A 155
THR A 195
ASN A 152
ALA A  92
 None
CL  A 303 (-4.8A)
None
None
None
 1.28A 2x2iC-1so8A:
undetectable		 2x2iC-1so8A:
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.
1thm THERMITASE

(Thermoactinomyces
vulgaris) 		PF00082
(Peptidase_S8) 		5 VAL A  52
SER A 216
THR A 215
GLY A  72
ALA A  76
 None
 1.22A 2x2iC-1thmA:
undetectable		 2x2iC-1thmA:
13.82
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.
1ukc ESTA

(Aspergillus
niger) 		PF00135
(COesterase) 		5 VAL A 518
SER A 409
SER A 410
VAL A 332
GLY A 333
 None
 1.00A 2x2iC-1ukcA:
undetectable		 2x2iC-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.
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
 1.10A 2x2iC-2bodX:
4.5		 2x2iC-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
 1.28A 2x2iC-2cukA:
undetectable		 2x2iC-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.
2e2n HEXOKINASE

(Sulfurisphaera
tokodaii) 		PF01869
(BcrAD_BadFG) 		5 VAL A  52
THR A  80
VAL A  67
GLY A  66
ALA A   9
 None
 1.04A 2x2iC-2e2nA:
undetectable		 2x2iC-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.
2hxg L-ARABINOSE
ISOMERASE

(Escherichia
coli) 		PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C) 		5 VAL A 218
THR A 276
VAL A 293
GLY A 290
ALA A 292
 None
 1.14A 2x2iC-2hxgA:
undetectable		 2x2iC-2hxgA:
19.44
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.
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 2x2iC-2kztA:
undetectable		 2x2iC-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
 1.04A 2x2iC-2m2bA:
undetectable		 2x2iC-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 2x2iC-2pbiB:
3.2		 2x2iC-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
 1.10A 2x2iC-2q2eB:
undetectable		 2x2iC-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 2x2iC-2qo3A:
undetectable		 2x2iC-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
 1.21A 2x2iC-2qq6A:
4.5		 2x2iC-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
 1.25A 2x2iC-2rttA:
undetectable		 2x2iC-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.
2wda PUTATIVE SECRETED
LYASE

(Streptomyces
violaceoruber) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		5 THR A  38
VAL A 338
GLY A 262
ALA A 335
GLN A 255
 FMT  A1767 ( 4.3A)
None
None
None
PEG  A1775 (-3.5A)
 1.29A 2x2iC-2wdaA:
4.1		 2x2iC-2wdaA:
21.80
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.
2wlt L-ASPARAGINASE

(Helicobacter
pylori) 		PF00710
(Asparaginase) 		5 PHE A 235
SER A 238
SER A 241
GLY A 271
ALA A 267
 None
 1.26A 2x2iC-2wltA:
undetectable		 2x2iC-2wltA:
14.77
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.
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 2x2iC-2wu8A:
2.0		 2x2iC-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
 1.22A 2x2iC-2xfeA:
undetectable		 2x2iC-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.
2xr1 CLEAVAGE AND
POLYADENYLATION
SPECIFICITY FACTOR
100 KD SUBUNIT

(Methanosarcina
mazei) 		PF07521
(RMMBL)
PF07650
(KH_2)
PF10996
(Beta-Casp)
PF16661
(Lactamase_B_6)
PF17214
(KH_7) 		5 VAL A 412
PHE A 520
THR A 541
ASN A 512
GLY A 514
 None
 1.28A 2x2iC-2xr1A:
undetectable		 2x2iC-2xr1A:
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.
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)
 1.27A 2x2iC-2xzoA:
undetectable		 2x2iC-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.
2ypj ENDOGLUCANASE CEL5A

([Eubacterium]
cellulosolvens) 		no annotation 5 SER A 594
ASN A 635
VAL A 697
GLY A 696
ALA A 597
 None
 1.28A 2x2iC-2ypjA:
undetectable		 2x2iC-2ypjA:
8.67
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.
2z2m PENICILLIN-BINDING
PROTEIN 2X

(Streptococcus
pneumoniae) 		PF00905
(Transpeptidase) 		5 PHE B 583
SER B 576
THR B 538
ASN B 605
ALA B 611
 None
 1.27A 2x2iC-2z2mB:
undetectable		 2x2iC-2z2mB:
16.77
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.
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
 1.24A 2x2iC-2zqbA:
undetectable		 2x2iC-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
 1.20A 2x2iC-2zxqA:
5.8		 2x2iC-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.
3btu GALACTOSE/LACTOSE
METABOLISM
REGULATORY PROTEIN
GAL80

(Saccharomyces
cerevisiae) 		PF01408
(GFO_IDH_MocA) 		5 PHE A  22
SER A  60
THR A  59
GLY A  30
ALA A  32
 None
 1.22A 2x2iC-3btuA:
undetectable		 2x2iC-3btuA:
18.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cim CARBON
DIOXIDE-CONCENTRATIN
G MECHANISM PROTEIN
CCMK HOMOLOG 2

(Synechocystis
sp.) 		PF00936
(BMC) 		5 THR A  10
VAL A  44
VAL A  67
GLY A  70
ALA A  64
 None
 1.01A 2x2iC-3cimA:
undetectable		 2x2iC-3cimA:
7.46
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.
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
 1.23A 2x2iC-3czeA:
3.5		 2x2iC-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
 1.13A 2x2iC-3djaA:
undetectable		 2x2iC-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.
3eiq PROGRAMMED CELL
DEATH PROTEIN 4

(Mus musculus) 		PF02847
(MA3) 		5 THR C 277
ASN C 276
VAL C 269
GLY C 270
ALA C 266
 None
 1.13A 2x2iC-3eiqC:
undetectable		 2x2iC-3eiqC:
16.55
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.
3f7m ALKALINE SERINE
PROTEASE VER112

(Lecanicillium
psalliotae) 		PF00082
(Peptidase_S8) 		5 SER A 236
SER A 234
VAL A 284
GLY A 285
ALA A 263
 None
 1.22A 2x2iC-3f7mA:
undetectable		 2x2iC-3f7mA:
12.92
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.
3fvc GLYCOPROTEIN GP110

(Human
gammaherpesvirus
4) 		PF00606
(Glycoprotein_B)
PF17416
(Glycoprot_B_PH1)
PF17417
(Glycoprot_B_PH2) 		5 THR A 370
THR A 311
VAL A 332
GLY A 333
GLN A 366
 None
 1.27A 2x2iC-3fvcA:
undetectable		 2x2iC-3fvcA:
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.
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
 1.25A 2x2iC-3g10A:
undetectable		 2x2iC-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  71
SER A  69
THR A   9
GLY A  21
 None
MG  A 501 ( 4.8A)
MG  A 501 (-3.4A)
None
None
 1.16A 2x2iC-3h08A:
undetectable		 2x2iC-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
 1.19A 2x2iC-3h9pA:
undetectable		 2x2iC-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.
3i04 CARBON MONOXIDE
DEHYDROGENASE/ACETYL
-COA SYNTHASE
SUBUNIT ALPHA

(Moorella
thermoacetica) 		PF03598
(CdhC) 		5 VAL M 149
SER M 539
VAL M 531
GLY M 526
ALA M 530
 None
None
SF4  M 900 ( 4.3A)
SF4  M 900 (-3.6A)
None
 1.23A 2x2iC-3i04M:
undetectable		 2x2iC-3i04M:
21.11
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.
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
 1.17A 2x2iC-3ideA:
undetectable		 2x2iC-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.
3io3 DEHA2D07832P

(Debaryomyces
hansenii) 		PF02374
(ArsA_ATPase) 		5 THR A 169
SER A  36
THR A  33
VAL A  23
GLY A  24
 None
None
ADP  A 590 (-3.7A)
None
None
 1.28A 2x2iC-3io3A:
undetectable		 2x2iC-3io3A:
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.
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
 1.24A 2x2iC-3iosA:
undetectable		 2x2iC-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
 1.19A 2x2iC-3ipcA:
undetectable		 2x2iC-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
 1.09A 2x2iC-3kbgA:
2.4		 2x2iC-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.
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
 1.12A 2x2iC-3mg0C:
undetectable		 2x2iC-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.
3oa2 WBPB

(Pseudomonas
aeruginosa) 		PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C) 		5 THR A 208
VAL A 205
THR A 107
GLY A 180
ALA A 182
 None
 1.06A 2x2iC-3oa2A:
undetectable		 2x2iC-3oa2A:
15.64
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.
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
 1.18A 2x2iC-3ocrA:
undetectable		 2x2iC-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.
3pqu TRANSFERRIN BINDING
PROTEIN B

(Actinobacillus
suis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 VAL A 478
PHE A 476
ASN A 541
VAL A 540
GLY A 512
 None
 1.16A 2x2iC-3pquA:
2.8		 2x2iC-3pquA:
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.
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
 1.19A 2x2iC-3qyqA:
6.0		 2x2iC-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.
3ru8 EPITOPE SCAFFOLD
2BODX43

(Human
immunodeficiency
virus;
Thermobifida
fusca;
synthetic
construct) 		PF01341
(Glyco_hydro_6) 		5 VAL X  70
SER X 208
ASN X 178
GLY X 146
ALA X 173
 None
None
None
GOL  X 283 (-3.3A)
None
 1.18A 2x2iC-3ru8X:
3.5		 2x2iC-3ru8X:
14.13
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.
3s4u PHND, SUBUNIT OF
ALKYLPHOSPHONATE ABC
TRANSPORTER

(Escherichia
coli) 		PF12974
(Phosphonate-bd) 		5 PHE A 131
SER A 127
SER A 129
ASN A 174
GLY A 121
 None
 1.24A 2x2iC-3s4uA:
undetectable		 2x2iC-3s4uA:
15.32
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.
3sth GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Toxoplasma
gondii) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 VAL A 135
SER A 296
SER A 315
VAL A 264
ALA A 267
 None
 1.27A 2x2iC-3sthA:
undetectable		 2x2iC-3sthA:
15.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.18A 2x2iC-3t8lA:
4.2		 2x2iC-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.
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
 1.23A 2x2iC-3uveA:
undetectable		 2x2iC-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.
3vtf UDP-GLUCOSE
6-DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 VAL A 363
SER A 333
THR A 388
VAL A 318
ALA A 339
 None
 1.23A 2x2iC-3vtfA:
undetectable		 2x2iC-3vtfA:
17.62
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.
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
 1.21A 2x2iC-3vw5A:
undetectable		 2x2iC-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.
3w4r CHITINASE

(Ostrinia
furnacalis) 		PF00704
(Glyco_hydro_18) 		5 VAL A  28
THR A 262
ASN A 263
VAL A 402
ALA A  25
 None
 1.28A 2x2iC-3w4rA:
6.9		 2x2iC-3w4rA:
20.10
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.
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
 1.11A 2x2iC-3w5nA:
3.0		 2x2iC-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)
 1.24A 2x2iC-3zyvA:
undetectable		 2x2iC-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
 1.22A 2x2iC-4b2oA:
undetectable		 2x2iC-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.
4c3h DNA-DIRECTED RNA
POLYMERASE I SUBUNIT
RPA190

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 THR A 681
SER A 784
ASN A 767
VAL A 769
GLY A 779
 None
 1.21A 2x2iC-4c3hA:
undetectable		 2x2iC-4c3hA:
20.96
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.
4dhe PROBABLE GTP-BINDING
PROTEIN ENGB

(Burkholderia
thailandensis) 		PF01926
(MMR_HSR1) 		5 THR A 148
PHE A  30
ASN A  35
GLY A  37
ALA A  41
 CL  A 303 ( 3.1A)
None
None
CL  A 303 ( 3.7A)
None
 1.27A 2x2iC-4dheA:
undetectable		 2x2iC-4dheA:
12.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
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
 1.13A 2x2iC-4fdgB:
undetectable		 2x2iC-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.
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)
 1.19A 2x2iC-4j0mA:
undetectable		 2x2iC-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.
4j34 KYNURENINE
3-MONOOXYGENASE

(Saccharomyces
cerevisiae) 		PF01494
(FAD_binding_3) 		5 VAL A   5
SER A  22
SER A 123
GLY A  14
ALA A  17
 None
 1.18A 2x2iC-4j34A:
undetectable		 2x2iC-4j34A:
16.76
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.
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
 1.10A 2x2iC-4jjpA:
undetectable		 2x2iC-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.
4lql L-ARABINOSE
ISOMERASE

(Lactobacillus
fermentum) 		PF02610
(Arabinose_Isome)
PF11762
(Arabinose_Iso_C) 		5 VAL A 218
THR A 276
VAL A 293
GLY A 290
ALA A 292
 None
 1.28A 2x2iC-4lqlA:
undetectable		 2x2iC-4lqlA:
17.39
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.
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
 1.14A 2x2iC-4ombA:
undetectable		 2x2iC-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.
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
 1.16A 2x2iC-4p8bA:
undetectable		 2x2iC-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
 1.21A 2x2iC-4pevA:
undetectable		 2x2iC-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
 1.15A 2x2iC-4pqjA:
undetectable		 2x2iC-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
 1.08A 2x2iC-4rziB:
undetectable		 2x2iC-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
 1.13A 2x2iC-4toqA:
5.6		 2x2iC-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
 1.11A 2x2iC-4u3wA:
undetectable		 2x2iC-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
 1.20A 2x2iC-4ydkH:
undetectable		 2x2iC-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)
 1.18A 2x2iC-4yswA:
undetectable		 2x2iC-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.
5any E1

(Chikungunya
virus) 		PF01589
(Alpha_E1_glycop) 		5 THR A 217
VAL A 108
SER A 111
SER A 113
GLY A 239
 None
 1.20A 2x2iC-5anyA:
undetectable		 2x2iC-5anyA:
17.31
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.
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
 1.22A 2x2iC-5bu9A:
3.3		 2x2iC-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.
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
 1.27A 2x2iC-5dk6A:
undetectable		 2x2iC-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
 1.25A 2x2iC-5dqpA:
2.5		 2x2iC-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.
5ej2 CARVEOL
DEHYDROGENASE

(Mycobacterium
avium) 		PF13561
(adh_short_C2) 		5 VAL A  71
SER A 258
ASN A 111
VAL A 109
ALA A  18
 None
None
NAD  A 300 (-3.4A)
None
None
 1.23A 2x2iC-5ej2A:
undetectable		 2x2iC-5ej2A:
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.
5f1n BETA-2-MICROGLOBULIN
MHC CLASS I ANTIGEN

(Canis lupus) 		PF00129
(MHC_I)
PF07654
(C1-set) 		6 VAL B 111
SER A  92
SER A  13
GLY A 120
ALA B  27
GLN B  29
 None
 1.31A 2x2iC-5f1nB:
undetectable		 2x2iC-5f1nB:
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.
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
 1.24A 2x2iC-5f7cA:
28.6		 2x2iC-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.
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
 1.17A 2x2iC-5gxfA:
undetectable		 2x2iC-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.
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
 1.11A 2x2iC-5iz5B:
undetectable		 2x2iC-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
 0.86A 2x2iC-5kf7A:
2.1		 2x2iC-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.
5mau CHLORITE DISMUTASE

(Cyanothece sp.
PCC 7425) 		no annotation 5 SER A 112
SER A 165
VAL A 117
GLY A 118
ALA A 116
 None
None
None
HEM  A 201 (-3.1A)
None
 1.28A 2x2iC-5mauA:
undetectable		 2x2iC-5mauA:
5.86
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.
5mjv CAPSID SUBUNIT VP0

(Parechovirus A) 		PF00073
(Rhv) 		5 VAL C 171
THR C 127
TRP C 126
VAL C 247
ALA C 183
 None
 1.18A 2x2iC-5mjvC:
undetectable		 2x2iC-5mjvC:
13.81
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.
5vu2 E1 ENVELOPE
GLYCOPROTEIN

(Chikungunya
virus) 		no annotation 5 THR M 217
VAL M 108
SER M 111
SER M 113
GLY M 239
 None
 1.16A 2x2iC-5vu2M:
undetectable		 2x2iC-5vu2M:
5.84
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.
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
 1.13A 2x2iC-5wblA:
2.2		 2x2iC-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
 0.99A 2x2iC-5x6sA:
undetectable		 2x2iC-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
 1.18A 2x2iC-5yapA:
undetectable		 2x2iC-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.
5yhi PROTEIN YIIM

(Escherichia
coli) 		no annotation 5 VAL A 113
SER A 198
SER A 200
THR A 204
ALA A 194
 None
None
PO4  A 301 (-3.0A)
None
None
 1.04A 2x2iC-5yhiA:
undetectable		 2x2iC-5yhiA:
6.30
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.
6c6l V-TYPE PROTON ATPASE
SUBUNIT A, VACUOLAR
ISOFORM

(Saccharomyces
cerevisiae) 		no annotation 5 PHE A 143
ASN A 259
VAL A 190
GLY A 189
ALA A 235
 None
 1.19A 2x2iC-6c6lA:
undetectable		 2x2iC-6c6lA:
6.17
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.
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
 1.24A 2x2iC-6em0A:
undetectable		 2x2iC-6em0A:
5.93
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.
6em0 2-HYDROXYBIPHENYL-3-
MONOOXYGENASE

(Pseudomonas
nitroreducens) 		no annotation 5 VAL A  12
ASN A 303
VAL A 315
GLY A 312
ALA A 314
 FAD  A 601 ( 4.9A)
None
None
FAD  A 601 (-3.3A)
None
 1.26A 2x2iC-6em0A:
undetectable		 2x2iC-6em0A:
5.93
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.
6fpe TRNA N6-ADENOSINE
THREONYLCARBAMOYLTRA
NSFERASE

(Thermotoga
maritima) 		no annotation 5 SER B   9
ASN B 108
VAL B 107
GLY B 106
ALA B  76
 None
 1.27A 2x2iC-6fpeB:
undetectable		 2x2iC-6fpeB:
6.60