SIMILAR PATTERNS OF AMINO ACIDS FOR 1FE2_A_LAXA700_2

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.
1coy CHOLESTEROL OXIDASE

(Brevibacterium
sterolicum) 		PF00732
(GMC_oxred_N)
PF05199
(GMC_oxred_C) 		5 LEU A 453
PHE A 388
GLY A 315
SER A 295
GLY A 293
 None
None
None
None
FAD  A 510 ( 4.3A)
 0.97A 1fe2A-1coyA:
0.0		 1fe2A-1coyA:
23.32
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.
1e9y UREASE SUBUNIT ALPHA
UREASE SUBUNIT BETA

(Helicobacter
pylori) 		PF00449
(Urease_alpha)
PF00547
(Urease_gamma)
PF00699
(Urease_beta)
PF01979
(Amidohydro_1) 		5 LEU A 106
GLY A 109
ALA B 440
GLY B 443
LEU B 562
 None
 1.11A 1fe2A-1e9yA:
0.0		 1fe2A-1e9yA:
18.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		11 PHE A 209
LEU A 352
TYR A 355
PHE A 381
TYR A 385
TRP A 387
PHE A 518
GLY A 526
ALA A 527
GLY A 533
LEU A 534
 None
SCL  A 700 ( 4.8A)
SCL  A 700 (-4.3A)
OAS  A 530 ( 4.7A)
None
None
None
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
OAS  A 530 ( 4.0A)
OAS  A 530 ( 3.3A)
 0.34A 1fe2A-1ebvA:
61.4		 1fe2A-1ebvA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ebv PROSTAGLANDIN H2
SYNTHASE

(Ovis aries) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		7 PHE A 210
LEU A 352
TYR A 355
PHE A 381
PHE A 518
GLY A 526
ALA A 527
 HEM  A 601 (-4.7A)
SCL  A 700 ( 4.8A)
SCL  A 700 (-4.3A)
OAS  A 530 ( 4.7A)
None
SCL  A 700 ( 4.0A)
SCL  A 700 (-2.9A)
 1.46A 1fe2A-1ebvA:
61.4		 1fe2A-1ebvA:
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.
1fpw CALCIUM-BINDING
PROTEIN NCS-1

(Saccharomyces
cerevisiae) 		PF13499
(EF-hand_7)
PF13833
(EF-hand_8) 		5 LEU A  68
TYR A 108
PHE A  64
GLY A 188
GLY A  95
 None
 1.01A 1fe2A-1fpwA:
undetectable		 1fe2A-1fpwA:
17.67
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.
1jd3 CHORISMATE LYASE

(Escherichia
coli) 		PF04345
(Chor_lyase) 		5 TYR A 164
GLY A 136
ALA A 135
GLY A 132
LEU A  11
 None
 1.07A 1fe2A-1jd3A:
undetectable		 1fe2A-1jd3A:
17.85
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.
1jkm BREFELDIN A ESTERASE

(Bacillus
subtilis) 		PF07859
(Abhydrolase_3) 		5 LEU A 268
TYR A 272
GLY A 126
SER A 202
LEU A 310
 None
 1.12A 1fe2A-1jkmA:
0.0		 1fe2A-1jkmA:
21.16
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.
1nug PROTEIN-GLUTAMINE
GLUTAMYLTRANSFERASE
E

(Homo sapiens) 		PF00868
(Transglut_N)
PF00927
(Transglut_C)
PF01841
(Transglut_core) 		5 LEU A 185
PHE A 134
GLY A 287
GLY A 216
LEU A 219
 CL  A 701 (-4.3A)
None
None
None
None
 0.99A 1fe2A-1nugA:
0.0		 1fe2A-1nugA:
20.63
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.
1o5h FORMIMINOTETRAHYDROF
OLATE CYCLODEAMINASE

(Thermotoga
maritima) 		PF04961
(FTCD_C) 		5 GLY A  25
ALA A  26
SER A  29
GLY A  32
LEU A  73
 None
 0.92A 1fe2A-1o5hA:
undetectable		 1fe2A-1o5hA:
14.63
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.
1qgp PROTEIN (DOUBLE
STRANDED RNA
ADENOSINE DEAMINASE)

(Homo sapiens) 		PF02295
(z-alpha) 		5 LEU A 185
TYR A 177
ALA A 158
GLY A 163
LEU A 165
 None
 1.11A 1fe2A-1qgpA:
undetectable		 1fe2A-1qgpA:
10.60
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.
1qjs HEMOPEXIN

(Oryctolagus
cuniculus) 		PF00045
(Hemopexin) 		5 PHE A 113
PHE A  78
TYR A  86
GLY A 135
LEU A 149
 None
 1.09A 1fe2A-1qjsA:
0.0		 1fe2A-1qjsA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1u60 PROBABLE GLUTAMINASE
YBAS

(Escherichia
coli) 		PF04960
(Glutaminase) 		5 LEU A 212
GLY A 258
ALA A 268
GLY A 265
LEU A 205
 None
 1.02A 1fe2A-1u60A:
undetectable		 1fe2A-1u60A:
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.
1u7g PROBABLE AMMONIUM
TRANSPORTER

(Escherichia
coli) 		PF00909
(Ammonium_transp) 		5 LEU A 114
GLY A  27
ALA A  29
GLY A  34
LEU A  35
 NH3  A 403 ( 4.6A)
None
None
None
None
 1.05A 1fe2A-1u7gA:
undetectable		 1fe2A-1u7gA:
21.20
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.
1us8 DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE

(Pyrococcus
furiosus) 		no annotation 5 LEU B 810
PHE B 759
TYR B 843
ALA B 752
GLY B 801
 None
 1.05A 1fe2A-1us8B:
undetectable		 1fe2A-1us8B:
14.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v3t LEUKOTRIENE B4
12-HYDROXYDEHYDROGEN
ASE/PROSTAGLANDIN
15-KETO REDUCTASE

(Cavia porcellus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 TYR A 181
GLY A 152
ALA A 153
SER A 156
GLY A 159
 None
NAP  A1350 (-3.3A)
NAP  A1350 (-3.4A)
None
None
 0.92A 1fe2A-1v3tA:
undetectable		 1fe2A-1v3tA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v8b ADENOSYLHOMOCYSTEINA
SE

(Plasmodium
falciparum) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 GLY A 271
ALA A 273
SER A 275
GLY A 278
LEU A 279
 None
 1.06A 1fe2A-1v8bA:
0.0		 1fe2A-1v8bA:
20.14
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.
1w85 PYRUVATE
DEHYDROGENASE E1
COMPONENT, ALPHA
SUBUNIT
PYRUVATE
DEHYDROGENASE E1
COMPONENT, BETA
SUBUNIT

(Geobacillus
stearothermophilus) 		PF00676
(E1_dh)
PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 PHE A 197
LEU B  69
PHE B  26
GLY B  64
LEU A  99
 None
 1.10A 1fe2A-1w85A:
0.0		 1fe2A-1w85A:
19.86
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.
1wsu SELENOCYSTEINE-SPECI
FIC ELONGATION
FACTOR

(Moorella
thermoacetica) 		PF09107
(SelB-wing_3) 		5 LEU A 610
PHE A 593
GLY A 594
ALA A 596
LEU A 602
 G  E  23 ( 4.6A)
None
None
G  E  23 ( 3.6A)
None
 1.11A 1fe2A-1wsuA:
undetectable		 1fe2A-1wsuA:
11.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yni SUCCINYLARGININE
DIHYDROLASE

(Escherichia
coli) 		PF04996
(AstB) 		5 LEU A  46
TYR A 402
GLY A  10
GLY A 362
LEU A 353
 None
 1.05A 1fe2A-1yniA:
undetectable		 1fe2A-1yniA:
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.
2bng MB2760

(Mycobacterium
tuberculosis) 		PF07858
(LEH) 		5 LEU A  28
TYR A  46
TRP A 120
PHE A  24
ALA A  61
 None
 1.00A 1fe2A-2bngA:
undetectable		 1fe2A-2bngA:
14.76
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.
2gk9 PHOSPHATIDYLINOSITOL
-4-PHOSPHATE
5-KINASE, TYPE II,
GAMMA

(Homo sapiens) 		PF01504
(PIP5K) 		6 LEU A 126
TYR A 189
GLY A  54
ALA A  56
SER A  58
LEU A  62
 None
 1.10A 1fe2A-2gk9A:
undetectable		 1fe2A-2gk9A:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2iyf OLEANDOMYCIN
GLYCOSYLTRANSFERASE

(Streptomyces
antibioticus) 		PF00201
(UDPGT) 		5 GLY A 307
ALA A 308
SER A 311
GLY A 314
LEU A 315
 UDP  A1401 ( 3.9A)
UDP  A1401 (-4.3A)
None
None
None
 0.63A 1fe2A-2iyfA:
undetectable		 1fe2A-2iyfA:
20.97
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.
2mxz L-ALANYL-D-GLUTAMATE
PEPTIDASE

(Escherichia
virus T5) 		PF13539
(Peptidase_M15_4) 		5 PHE A   5
LEU A 108
PHE A  35
PHE A 110
ALA A  96
 None
 1.02A 1fe2A-2mxzA:
undetectable		 1fe2A-2mxzA:
13.46
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.
2o0x 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Mycobacterium
tuberculosis) 		PF00275
(EPSP_synthase) 		5 TRP A 419
PHE A 415
GLY A 390
ALA A 389
LEU A 319
 None
 1.02A 1fe2A-2o0xA:
undetectable		 1fe2A-2o0xA:
22.56
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.
2qae DIHYDROLIPOYL
DEHYDROGENASE

(Trypanosoma
cruzi) 		PF02852
(Pyr_redox_dim)
PF07992
(Pyr_redox_2) 		5 LEU A 187
PHE A 233
GLY A 223
ALA A 224
GLY A 397
 None
 1.00A 1fe2A-2qaeA:
undetectable		 1fe2A-2qaeA:
21.03
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.
2r79 PERIPLASMIC BINDING
PROTEIN

(Pseudomonas
aeruginosa) 		PF01497
(Peripla_BP_2) 		5 LEU A 113
GLY A  34
ALA A  33
SER A  32
GLY A  52
 None
 1.03A 1fe2A-2r79A:
undetectable		 1fe2A-2r79A:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2rau PUTATIVE ESTERASE

(Sulfolobus
solfataricus) 		PF12146
(Hydrolase_4) 		5 TYR A 332
PHE A 271
GLY A  57
SER A 151
GLY A 178
 UNL  A 359 (-4.4A)
UNL  A 359 (-4.8A)
UNL  A 359 ( 4.1A)
PEG  A 360 (-3.2A)
None
 1.12A 1fe2A-2rauA:
undetectable		 1fe2A-2rauA:
21.23
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.
2rjt BETA-KETOACYL-ACP
SYNTHASE II

(Streptococcus
pneumoniae) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A  28
GLY A  18
SER A  15
GLY A 234
LEU A 338
 None
 1.14A 1fe2A-2rjtA:
undetectable		 1fe2A-2rjtA:
21.21
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.
2uv8 FATTY ACID SYNTHASE
SUBUNIT BETA (FAS1)

(Saccharomyces
cerevisiae) 		PF00698
(Acyl_transf_1)
PF01575
(MaoC_dehydratas)
PF08354
(DUF1729)
PF13452
(MaoC_dehydrat_N)
PF16073
(SAT) 		5 LEU G 502
TYR G 249
PHE G 496
GLY G 269
ALA G 270
 None
 1.07A 1fe2A-2uv8G:
undetectable		 1fe2A-2uv8G:
14.64
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.
2uz0 TRIBUTYRIN ESTERASE

(Streptococcus
pneumoniae) 		PF00756
(Esterase) 		5 TYR A 163
GLY A  44
SER A 120
GLY A 144
LEU A 204
 None
GOL  A1259 (-3.2A)
GOL  A1259 (-2.9A)
None
None
 1.12A 1fe2A-2uz0A:
undetectable		 1fe2A-2uz0A:
19.69
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.
2w1p
AQUAPORIN PIP2-7 7

(Komagataella
pastoris) 		PF00230
(MIP) 		5 LEU A  85
GLY A 220
ALA A 221
GLY A 171
LEU A 174
 None
 1.03A 1fe2A-2w1pA:
undetectable		 1fe2A-2w1pA:
19.79
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.
2w4g MYOSIN HEAVY CHAIN,
SKELETAL MUSCLE,
ADULT

(Gallus gallus) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 PHE M 475
LEU M 603
TYR M 611
GLY M 427
ALA M 430
 None
 1.10A 1fe2A-2w4gM:
0.0		 1fe2A-2w4gM:
21.82
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.
2wan PULLULANASE

(Bacillus
acidopullulyticus) 		PF00128
(Alpha-amylase)
PF02922
(CBM_48) 		5 TYR A 436
PHE A 814
GLY A 482
GLY A 547
LEU A 541
 None
 1.08A 1fe2A-2wanA:
undetectable		 1fe2A-2wanA:
19.70
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.
2x40 BETA-GLUCOSIDASE

(Thermotoga
neapolitana) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 LEU A 116
GLY A 159
ALA A 160
SER A 205
GLY A 237
 GOL  A1726 ( 4.8A)
None
None
None
None
 1.10A 1fe2A-2x40A:
undetectable		 1fe2A-2x40A:
20.52
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.
2y05 PROSTAGLANDIN
REDUCTASE 1

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 TYR A 181
GLY A 152
ALA A 153
SER A 156
GLY A 159
 None
NAP  A 701 (-3.1A)
NAP  A 701 (-3.3A)
None
None
 0.98A 1fe2A-2y05A:
undetectable		 1fe2A-2y05A:
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.
2z67 O-PHOSPHOSERYL-TRNA(
SEC) SELENIUM
TRANSFERASE

(Methanococcus
maripaludis) 		PF05889
(SepSecS) 		5 TYR A 257
ALA A 249
SER A 275
GLY A 287
LEU A 288
 None
PLP  A1001 (-3.4A)
None
None
None
 1.00A 1fe2A-2z67A:
undetectable		 1fe2A-2z67A:
22.28
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.
3crn RESPONSE REGULATOR
RECEIVER DOMAIN
PROTEIN, CHEY-LIKE

(Methanospirillum
hungatei) 		PF00072
(Response_reg) 		5 PHE A  51
PHE A  90
GLY A  60
GLY A  37
LEU A  38
 None
None
PHD  A  52 ( 3.3A)
None
None
 0.97A 1fe2A-3crnA:
undetectable		 1fe2A-3crnA:
12.02
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.
3cuo UNCHARACTERIZED
HTH-TYPE
TRANSCRIPTIONAL
REGULATOR YGAV

(Escherichia
coli) 		PF01022
(HTH_5) 		5 GLY A  42
ALA A  41
SER A  40
GLY A  38
LEU A  78
 None
 0.94A 1fe2A-3cuoA:
undetectable		 1fe2A-3cuoA:
9.79
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.
3dmc NTF2-LIKE PROTEIN

(Trichormus
variabilis) 		PF12680
(SnoaL_2) 		5 PHE A  63
PHE A  32
GLY A  16
GLY A  23
LEU A  24
 None
 1.09A 1fe2A-3dmcA:
undetectable		 1fe2A-3dmcA:
13.56
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.
3dsm UNCHARACTERIZED
PROTEIN BACUNI_02894

(Bacteroides
uniformis) 		no annotation 5 PHE A 322
LEU A 286
GLY A 329
ALA A 330
LEU A  18
 None
 1.06A 1fe2A-3dsmA:
undetectable		 1fe2A-3dsmA:
19.14
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.
3gaz ALCOHOL
DEHYDROGENASE
SUPERFAMILY PROTEIN

(Novosphingobium
aromaticivorans) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 PHE A 281
LEU A  47
TYR A 315
GLY A  97
GLY A  93
 None
 1.07A 1fe2A-3gazA:
undetectable		 1fe2A-3gazA:
19.80
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.
3hol TBPB

(Actinobacillus
pleuropneumoniae) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 LEU A 253
PHE A 257
PHE A 280
GLY A 256
GLY A 223
 None
 1.12A 1fe2A-3holA:
undetectable		 1fe2A-3holA:
20.92
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.
3kq5 HYPOTHETICAL
CYTOSOLIC PROTEIN

(Coxiella
burnetii) 		PF07515
(TraI_2_C) 		5 PHE A 132
LEU A 287
PHE A 293
GLY A 315
GLY A 325
 None
 1.10A 1fe2A-3kq5A:
undetectable		 1fe2A-3kq5A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3llk SULFHYDRYL OXIDASE 1

(Homo sapiens) 		PF04777
(Evr1_Alr) 		5 PHE A 403
LEU A 330
PHE A 371
GLY A 317
GLY A 448
 None
 1.13A 1fe2A-3llkA:
undetectable		 1fe2A-3llkA:
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.
3md2 MATRIX PROTEIN 1

(Influenza A
virus) 		PF00598
(Flu_M1) 		5 GLY A 122
ALA A 123
SER A 126
GLY A 129
LEU A 130
 None
 0.85A 1fe2A-3md2A:
undetectable		 1fe2A-3md2A:
15.08
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.
3n0w ABC BRANCHED CHAIN
AMINO ACID FAMILY
TRANSPORTER,
PERIPLASMIC LIGAND
BINDING PROTEIN

(Paraburkholderia
xenovorans) 		PF13458
(Peripla_BP_6) 		5 LEU A  53
PHE A 287
GLY A 306
GLY A  30
LEU A  69
 None
 1.12A 1fe2A-3n0wA:
undetectable		 1fe2A-3n0wA:
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.
3n9t PNPC

(Pseudomonas
putida) 		PF00775
(Dioxygenase_C)
PF04444
(Dioxygenase_N) 		5 TYR A 259
PHE A 221
GLY A 134
GLY A 271
LEU A 272
 None
 1.13A 1fe2A-3n9tA:
undetectable		 1fe2A-3n9tA:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nd0 SLL0855 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00654
(Voltage_CLC) 		5 LEU A 290
GLY A 138
ALA A 137
SER A 134
GLY A 131
 None
 0.94A 1fe2A-3nd0A:
undetectable		 1fe2A-3nd0A:
23.81
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.
3oce FUMARATE LYASE:DELTA
CRYSTALLIN

(Brucella
abortus) 		PF00206
(Lyase_1)
PF10415
(FumaraseC_C) 		5 PHE A 203
LEU A 305
GLY A 184
GLY A 197
LEU A 196
 None
None
None
EDO  A 475 ( 4.3A)
None
 1.08A 1fe2A-3oceA:
undetectable		 1fe2A-3oceA:
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.
3pdi NITROGENASE MOFE
COFACTOR
BIOSYNTHESIS PROTEIN
NIFN

(Azotobacter
vinelandii) 		PF00148
(Oxidored_nitro) 		5 PHE B 146
GLY B  23
ALA B  25
GLY B  30
LEU B  31
 None
 1.13A 1fe2A-3pdiB:
undetectable		 1fe2A-3pdiB:
23.16
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.
3pqu TRANSFERRIN BINDING
PROTEIN B

(Actinobacillus
suis) 		PF01298
(TbpB_B_D)
PF17483
(TbpB_C)
PF17484
(TbpB_A) 		5 LEU A 302
PHE A 306
PHE A 329
GLY A 305
GLY A 279
 None
 1.14A 1fe2A-3pquA:
undetectable		 1fe2A-3pquA:
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.
3su8 PLEXIN-B1

(Homo sapiens) 		PF08337
(Plexin_cytopl) 		5 LEU X1640
PHE X1577
GLY X2083
ALA X2084
LEU X1603
 None
 0.82A 1fe2A-3su8X:
undetectable		 1fe2A-3su8X:
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.
3t58 SULFHYDRYL OXIDASE 1

(Mus musculus) 		PF00085
(Thioredoxin)
PF04777
(Evr1_Alr) 		5 PHE A 406
LEU A 333
PHE A 374
GLY A 320
GLY A 451
 None
 1.11A 1fe2A-3t58A:
0.1		 1fe2A-3t58A:
19.97
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.
3wme ATP-BINDING
CASSETTE, SUB-FAMILY
B, MEMBER 1

(Cyanidioschyzon
merolae) 		PF00005
(ABC_tran)
PF00664
(ABC_membrane) 		5 LEU A 130
PHE A 173
ALA A 178
SER A 180
LEU A 184
 None
 1.14A 1fe2A-3wmeA:
undetectable		 1fe2A-3wmeA:
21.63
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.
3wo8 BETA-N-ACETYLGLUCOSA
MINIDASE

(Thermotoga
maritima) 		PF00933
(Glyco_hydro_3) 		5 LEU A 198
GLY A 143
ALA A 144
GLY A 149
LEU A 151
 None
 1.06A 1fe2A-3wo8A:
undetectable		 1fe2A-3wo8A:
21.27
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.
4b7x PROBABLE
OXIDOREDUCTASE

(Pseudomonas
aeruginosa) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 LEU A  98
PHE A 111
GLY A 106
GLY A  32
LEU A  31
 None
 0.96A 1fe2A-4b7xA:
undetectable		 1fe2A-4b7xA:
22.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4co6 NUCLEOPROTEIN

(Nipah
henipavirus) 		PF00973
(Paramyxo_ncap) 		5 LEU A 297
TYR A 301
GLY A 266
GLY A 274
LEU A 275
 None
 1.01A 1fe2A-4co6A:
undetectable		 1fe2A-4co6A:
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.
4dws CHI2

(Yersinia
entomophaga) 		PF00704
(Glyco_hydro_18) 		5 LEU A 201
PHE A 269
TYR A 273
PHE A 198
GLY A 220
 None
 1.06A 1fe2A-4dwsA:
undetectable		 1fe2A-4dwsA:
22.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fym OROTATE
PHOSPHORIBOSYLTRANSF
ERASE

(Plasmodium
falciparum) 		PF00156
(Pribosyltran) 		5 PHE A  98
LEU A 116
GLY A 137
GLY A 101
LEU A 103
 None
 1.10A 1fe2A-4fymA:
undetectable		 1fe2A-4fymA:
15.97
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.
4h2h MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Salipiger
bermudensis) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 LEU A 353
GLY A  47
ALA A 106
GLY A 271
LEU A 272
 None
 1.11A 1fe2A-4h2hA:
undetectable		 1fe2A-4h2hA:
21.03
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.
4hyd PUTATIVE
UNCHARACTERIZED
PROTEIN

(Methanoculleus
marisnigri) 		PF06550
(SPP) 		5 PHE A 214
ALA A 136
SER A 135
GLY A 219
LEU A 221
 None
 1.13A 1fe2A-4hydA:
undetectable		 1fe2A-4hydA:
20.62
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.
4i1d ABC TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Bradyrhizobium
diazoefficiens) 		PF13416
(SBP_bac_8) 		5 PHE A 261
TYR A 134
PHE A 315
ALA A 335
GLY A 266
 ACT  A 416 (-4.0A)
None
None
None
None
 1.00A 1fe2A-4i1dA:
undetectable		 1fe2A-4i1dA:
18.63
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.
4iq4 NON-HAEM
BROMOPEROXIDASE
BPO-A2, MATRIX
PROTEIN 1

(Influenza A
virus;
Kitasatospora
aureofaciens) 		PF00561
(Abhydrolase_1)
PF00598
(Flu_M1) 		5 GLY A 405
ALA A 406
SER A 409
GLY A 412
LEU A 413
 None
 0.87A 1fe2A-4iq4A:
undetectable		 1fe2A-4iq4A:
22.08
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.
4maa PUTATIVE
BRANCHED-CHAIN AMINO
ACID ABC
TRANSPORTER,
PERIPLASMIC AMINO
ACID-BINDING PROTEIN

(Pseudomonas
protegens) 		PF13458
(Peripla_BP_6) 		5 LEU A 182
TYR A 176
GLY A 128
ALA A 129
GLY A 134
 None
None
GOL  A 503 (-3.7A)
None
None
 1.06A 1fe2A-4maaA:
undetectable		 1fe2A-4maaA:
21.21
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.
4mh0 RAS-RELATED PROTEIN
RAP-1B

(Homo sapiens) 		PF00071
(Ras) 		5 TYR R  40
GLY R  60
ALA R  59
GLY R  10
LEU R   9
 None
None
SO4  R 201 (-3.3A)
None
None
 1.01A 1fe2A-4mh0R:
undetectable		 1fe2A-4mh0R:
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.
4nz0 GENOME POLYPROTEIN

(Cardiovirus A) 		PF00680
(RdRP_1) 		5 PHE A 262
GLY A 192
ALA A 195
SER A 196
GLY A 101
 None
 1.07A 1fe2A-4nz0A:
undetectable		 1fe2A-4nz0A:
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.
4o01 BACTERIOPHYTOCHROME

(Deinococcus
radiodurans) 		PF00360
(PHY)
PF01590
(GAF)
PF08446
(PAS_2) 		5 LEU A 273
PHE A 170
ALA A 225
GLY A  39
LEU A 253
 None
 1.09A 1fe2A-4o01A:
undetectable		 1fe2A-4o01A:
22.31
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.
4p2l SULFHYDRYL OXIDASE 1

(Rattus
norvegicus) 		PF00085
(Thioredoxin)
PF04777
(Evr1_Alr) 		5 PHE A 406
LEU A 333
PHE A 374
GLY A 320
GLY A 451
 None
 1.11A 1fe2A-4p2lA:
0.0		 1fe2A-4p2lA:
21.03
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN

(Anaplasma
phagocytophilum) 		PF01596
(Methyltransf_3) 		5 GLY A  68
ALA A  71
SER A  70
GLY A  45
LEU A  48
 None
None
SAM  A 301 (-2.9A)
None
None
 0.91A 1fe2A-4pclA:
undetectable		 1fe2A-4pclA:
16.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		6 PHE A 206
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
 None
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
 1.29A 1fe2A-4ph9A:
58.4		 1fe2A-4ph9A:
63.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		11 PHE A 210
LEU A 353
PHE A 382
TYR A 386
TRP A 388
PHE A 519
GLY A 527
ALA A 528
SER A 531
GLY A 534
LEU A 535
 EDO  A 616 (-3.5A)
IBP  A 601 ( 4.7A)
None
IBP  A 601 (-4.8A)
None
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
EDO  A 616 (-3.0A)
EDO  A 616 ( 4.4A)
 0.64A 1fe2A-4ph9A:
58.4		 1fe2A-4ph9A:
63.51
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ph9 PROSTAGLANDIN G/H
SYNTHASE 2

(Mus musculus) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		11 PHE A 210
LEU A 353
TYR A 356
PHE A 382
TYR A 386
TRP A 388
GLY A 527
ALA A 528
SER A 531
GLY A 534
LEU A 535
 EDO  A 616 (-3.5A)
IBP  A 601 ( 4.7A)
IBP  A 601 (-4.5A)
None
IBP  A 601 (-4.8A)
None
IBP  A 601 (-3.9A)
IBP  A 601 (-3.4A)
IBP  A 601 ( 3.3A)
EDO  A 616 (-3.0A)
EDO  A 616 ( 4.4A)
 0.37A 1fe2A-4ph9A:
58.4		 1fe2A-4ph9A:
63.51
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.
4pve POLLEN ALLERGEN PHL
P 4.0202

(Phleum pratense) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 LEU A 183
ALA A 217
SER A 125
GLY A 126
LEU A 106
 None
None
FAD  A 601 (-3.4A)
None
FAD  A 601 (-4.8A)
 1.00A 1fe2A-4pveA:
undetectable		 1fe2A-4pveA:
20.76
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.
4qav 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 2

(Neisseria
meningitidis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 LEU A  28
GLY A  18
SER A  15
GLY A 236
LEU A 341
 None
 1.12A 1fe2A-4qavA:
undetectable		 1fe2A-4qavA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qs9 HEXOKINASE-1

(Arabidopsis
thaliana) 		PF00349
(Hexokinase_1)
PF03727
(Hexokinase_2) 		5 LEU A 442
GLY A 406
ALA A 407
SER A 410
GLY A 413
 None
 0.77A 1fe2A-4qs9A:
undetectable		 1fe2A-4qs9A:
21.43
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.
4r89 UNCHARACTERIZED
PROTEIN

(Pseudomonas
aeruginosa) 		PF08774
(VRR_NUC) 		5 LEU A 474
GLY A 388
SER A 392
GLY A 395
LEU A 396
 None
 1.13A 1fe2A-4r89A:
undetectable		 1fe2A-4r89A:
22.63
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.
4roe TRANSCRIPTION FACTOR
IIIB 50 KDA SUBUNIT

(Homo sapiens) 		no annotation 5 LEU A 123
PHE A 149
GLY A 136
ALA A 137
LEU A 172
 None
 1.08A 1fe2A-4roeA:
undetectable		 1fe2A-4roeA:
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.
4u9c LACTOFERRIN-BINDING
PROTEIN B

(Neisseria
meningitidis) 		PF01298
(TbpB_B_D)
PF17484
(TbpB_A) 		5 LEU A 312
PHE A 316
PHE A 339
GLY A 315
GLY A 279
 None
 1.12A 1fe2A-4u9cA:
undetectable		 1fe2A-4u9cA:
19.73
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		5 PHE A 997
LEU A 777
PHE A 752
PHE A 814
ALA A 770
 None
 1.01A 1fe2A-4xqkA:
undetectable		 1fe2A-4xqkA:
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.
4ye5 PEPTIDOGLYCAN
SYNTHETASE
PENICILLIN-BINDING
PROTEIN 3

(Bifidobacterium
adolescentis) 		PF00905
(Transpeptidase)
PF03717
(PBP_dimer) 		5 PHE A 509
TYR A 506
GLY A 570
ALA A 569
GLY A 565
 None
 0.83A 1fe2A-4ye5A:
undetectable		 1fe2A-4ye5A:
20.80
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.
4zbg ACETYLTRANSFERASE

(Brucella
abortus) 		PF13527
(Acetyltransf_9) 		5 PHE A 124
PHE A  22
GLY A  79
ALA A  62
GLY A 100
 None
ACO  A 201 (-3.5A)
ACO  A 201 (-3.6A)
None
None
 1.06A 1fe2A-4zbgA:
undetectable		 1fe2A-4zbgA:
13.86
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.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 LEU A 731
GLY A 752
ALA A 751
GLY A 559
LEU A 557
 None
 1.04A 1fe2A-4zdnA:
undetectable		 1fe2A-4zdnA:
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.
5b2g ENDOLYSIN,CLAUDIN-4

(Escherichia
virus T4;
Homo sapiens) 		PF00822
(PMP22_Claudin)
PF00959
(Phage_lysozyme) 		5 GLY A1330
ALA A1332
SER A1334
GLY A1292
LEU A1338
 None
 1.12A 1fe2A-5b2gA:
undetectable		 1fe2A-5b2gA:
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.
5bp1 MYCOCEROSIC ACID
SYNTHASE

(Mycolicibacterium
smegmatis) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 LEU A 250
ALA A 106
SER A 110
GLY A 111
LEU A 112
 None
 1.14A 1fe2A-5bp1A:
undetectable		 1fe2A-5bp1A:
20.66
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.
5chc DMSO REDUCTASE
FAMILY TYPE II
ENZYME,
MOLYBDOPTERIN
SUBUNIT

(Azospira oryzae) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 PHE A 534
LEU A 649
PHE A 638
GLY A 158
GLY A 150
 None
 0.91A 1fe2A-5chcA:
undetectable		 1fe2A-5chcA:
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.
5cqe MATRIX PROTEIN 1

(Influenza A
virus) 		PF00598
(Flu_M1) 		5 GLY A 122
ALA A 123
SER A 126
GLY A 129
LEU A 130
 None
 0.94A 1fe2A-5cqeA:
undetectable		 1fe2A-5cqeA:
16.52
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.
5cyr RNA-DEPENDENT RNA
POLYMERASE

(Thosea asigna
virus) 		no annotation 5 PHE B 479
PHE B 370
PHE B 512
GLY B 350
SER B 451
 None
 1.01A 1fe2A-5cyrB:
undetectable		 1fe2A-5cyrB:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ey7 FRUCTOKINASE

(Vibrio cholerae) 		PF00294
(PfkB) 		5 LEU A 318
PHE A 268
GLY A 299
ALA A 300
GLY A 239
 None
 1.14A 1fe2A-5ey7A:
undetectable		 1fe2A-5ey7A:
19.26
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.
5ffj ENDONUCLEASE AND
METHYLASE LLAGI

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII) 		6 PHE A 997
LEU A 777
PHE A 752
PHE A 814
ALA A 770
LEU A 947
 None
 1.46A 1fe2A-5ffjA:
undetectable		 1fe2A-5ffjA:
17.54
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.
5go6 PUTATIVE SECRETED
PROTEIN

(Streptomyces
avermitilis) 		PF04203
(Sortase) 		5 LEU A 109
PHE A 137
ALA A 125
GLY A 119
LEU A 118
 None
 1.10A 1fe2A-5go6A:
undetectable		 1fe2A-5go6A:
16.26
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.
5hif RECONSTRUCTED
LACTONASE ANCESTOR,
ANC1-MPH

(synthetic
construct) 		PF00753
(Lactamase_B) 		5 LEU A 147
GLY A 165
ALA A 168
GLY A 122
LEU A 123
 None
 1.13A 1fe2A-5hifA:
undetectable		 1fe2A-5hifA:
20.08
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		9 PHE A 209
LEU A 352
PHE A 381
TYR A 385
TRP A 387
PHE A 518
GLY A 526
GLY A 533
LEU A 534
 None
ID8  A 601 (-4.1A)
None
ID8  A 601 ( 3.5A)
COH  A 602 (-4.5A)
None
ID8  A 601 (-3.5A)
None
None
 0.93A 1fe2A-5ikrA:
58.1		 1fe2A-5ikrA:
63.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5ikr PROSTAGLANDIN G/H
SYNTHASE 2

(Homo sapiens) 		PF00008
(EGF)
PF03098
(An_peroxidase) 		11 PHE A 209
LEU A 352
TYR A 355
PHE A 381
TYR A 385
TRP A 387
GLY A 526
ALA A 527
SER A 530
GLY A 533
LEU A 534
 None
ID8  A 601 (-4.1A)
ID8  A 601 (-3.8A)
None
ID8  A 601 ( 3.5A)
COH  A 602 (-4.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-3.5A)
ID8  A 601 (-2.7A)
None
None
 0.76A 1fe2A-5ikrA:
58.1		 1fe2A-5ikrA:
63.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB2

(Saccharomyces
cerevisiae) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 LEU B 361
PHE B 581
GLY B 584
GLY B 588
LEU B 566
 None
 0.93A 1fe2A-5ip9B:
undetectable		 1fe2A-5ip9B:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5olt -

(-) 		no annotation 5 PHE A 425
LEU A 245
PHE A 264
TRP A 261
ALA A 470
 None
 1.06A 1fe2A-5oltA:
undetectable		 1fe2A-5oltA:
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.
5oon UNDECAPRENYL-DIPHOSP
HATASE

(Escherichia
coli) 		no annotation 5 GLY A 176
ALA A 177
SER A 180
GLY A 182
LEU A 184
 None
 0.90A 1fe2A-5oonA:
undetectable		 1fe2A-5oonA:
8.33
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.
5xog DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Komagataella
phaffii) 		PF00562
(RNA_pol_Rpb2_6)
PF04560
(RNA_pol_Rpb2_7)
PF04561
(RNA_pol_Rpb2_2)
PF04563
(RNA_pol_Rpb2_1)
PF04565
(RNA_pol_Rpb2_3)
PF04566
(RNA_pol_Rpb2_4)
PF04567
(RNA_pol_Rpb2_5) 		5 LEU B 354
PHE B 574
GLY B 577
GLY B 581
LEU B 559
 None
 1.06A 1fe2A-5xogB:
0.0		 1fe2A-5xogB:
17.69
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.
5y79 PUTATIVE HEXOSE
PHOSPHATE
TRANSLOCATOR

(Galdieria
sulphuraria) 		PF03151
(TPT) 		5 PHE A 272
GLY A 211
ALA A 212
SER A 215
LEU A 219
 OLC  A 507 (-4.8A)
None
None
None
None
 1.08A 1fe2A-5y79A:
undetectable		 1fe2A-5y79A:
19.79
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.
5yhp COLD ACTIVE PROLINE
IMINOPEPTIDASE

(Glaciozyma
antarctica) 		no annotation 5 TYR A  29
GLY A  47
ALA A  48
GLY A 113
LEU A  40
 None
 1.12A 1fe2A-5yhpA:
undetectable		 1fe2A-5yhpA:
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.
6bar ROD SHAPE
DETERMINING PROTEIN
RODA

(Thermus
thermophilus) 		no annotation 5 LEU A 109
PHE A 104
ALA A 341
GLY A 347
LEU A 348
 None
OLC  A 402 (-4.6A)
OLC  A 402 (-3.7A)
None
None
 0.97A 1fe2A-6barA:
undetectable		 1fe2A-6barA:
10.42