SIMILAR PATTERNS OF AMINO ACIDS FOR 5CP4_A_CAMA422

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.
1ijq LOW-DENSITY
LIPOPROTEIN RECEPTOR

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		5 THR A 413
LEU A 380
VAL A 632
THR A 638
VAL A 415
 None
 1.35A 5cp4A-1ijqA:
0.0		 5cp4A-1ijqA:
22.82
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.
1k7y METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2)
PF02965
(Met_synt_B12) 		5 TYR A1181
LEU A1103
VAL A1063
GLY A 997
THR A1161
 None
 1.34A 5cp4A-1k7yA:
0.0		 5cp4A-1k7yA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k7y METHIONINE SYNTHASE

(Escherichia
coli) 		PF02310
(B12-binding)
PF02607
(B12-binding_2)
PF02965
(Met_synt_B12) 		5 TYR A1181
LEU A1103
VAL A1063
THR A1161
VAL A1157
 None
 1.42A 5cp4A-1k7yA:
0.0		 5cp4A-1k7yA:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m66 GLYCEROL-3-PHOSPHATE
DEHYDROGENASE

(Leishmania
mexicana) 		PF01210
(NAD_Gly3P_dh_N)
PF07479
(NAD_Gly3P_dh_C) 		5 THR A 245
VAL A 255
GLY A 260
VAL A 209
VAL A 205
 None
 1.34A 5cp4A-1m66A:
0.0		 5cp4A-1m66A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1msk COBALAMIN-DEPENDENT
METHIONINE SYNTHASE

(Escherichia
coli) 		PF02965
(Met_synt_B12) 		6 TYR A1181
LEU A1103
VAL A1063
GLY A 997
THR A1161
VAL A1157
 None
 1.45A 5cp4A-1mskA:
0.0		 5cp4A-1mskA:
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.
1ofe FERREDOXIN-DEPENDENT
GLUTAMATE SYNTHASE 2

(Synechocystis
sp. PCC 6803) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 LEU A1481
VAL A1469
GLY A1477
VAL A1411
VAL A1393
 None
 1.34A 5cp4A-1ofeA:
0.0		 5cp4A-1ofeA:
14.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1oy1 PUTATIVE SIGMA
CROSS-REACTING
PROTEIN 27A

(Escherichia
coli) 		no annotation 5 THR A  28
VAL A   9
GLY A   8
VAL A 215
VAL A 212
 None
 1.41A 5cp4A-1oy1A:
0.0		 5cp4A-1oy1A:
19.05
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.
1qap QUINOLINIC ACID
PHOSPHORIBOSYLTRANSF
ERASE

(Salmonella
enterica) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 VAL A 279
GLY A 280
THR A 283
VAL A 166
VAL A 134
 None
 1.41A 5cp4A-1qapA:
0.0		 5cp4A-1qapA:
22.30
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.
1qb4 PHOSPHOENOLPYRUVATE
CARBOXYLASE

(Escherichia
coli) 		PF00311
(PEPcase) 		5 LEU A 631
VAL A 217
GLY A 216
VAL A 208
VAL A 209
 None
 1.36A 5cp4A-1qb4A:
undetectable		 5cp4A-1qb4A:
18.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qh5 PROTEIN
(HYDROXYACYLGLUTATHI
ONE HYDROLASE)

(Homo sapiens) 		PF00753
(Lactamase_B)
PF16123
(HAGH_C) 		5 THR A  48
LEU A 100
VAL A  97
GLY A  98
VAL A  45
 None
 1.34A 5cp4A-1qh5A:
0.0		 5cp4A-1qh5A:
21.19
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.
1vav ALGINATE LYASE
PA1167

(Pseudomonas
aeruginosa) 		PF08787
(Alginate_lyase2) 		5 LEU A 169
VAL A 164
GLY A 163
VAL A 134
VAL A 117
 None
 1.32A 5cp4A-1vavA:
undetectable		 5cp4A-1vavA:
21.15
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.
1vrm HYPOTHETICAL PROTEIN
TM1553

(Thermotoga
maritima) 		PF02424
(ApbE) 		5 THR A 293
VAL A 238
GLY A 237
VAL A 222
VAL A 257
 None
 1.22A 5cp4A-1vrmA:
undetectable		 5cp4A-1vrmA:
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.
1wvg CDP-GLUCOSE
4,6-DEHYDRATASE

(Salmonella
enterica) 		PF16363
(GDP_Man_Dehyd) 		5 THR A  32
LEU A 241
GLY A  24
VAL A  14
VAL A  38
 None
 1.20A 5cp4A-1wvgA:
undetectable		 5cp4A-1wvgA:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1wyt GLYCINE
DEHYDROGENASE
(DECARBOXYLATING)
SUBUNIT 1

(Thermus
thermophilus) 		PF02347
(GDC-P) 		5 PHE A 415
LEU A 393
VAL A 389
VAL A 363
VAL A 366
 None
 1.34A 5cp4A-1wytA:
undetectable		 5cp4A-1wytA:
22.68
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.
1x1o NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Thermus
thermophilus) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 THR A 121
VAL A 267
GLY A 268
THR A 271
VAL A 153
 None
 1.41A 5cp4A-1x1oA:
undetectable		 5cp4A-1x1oA:
22.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1xb7 STEROID HORMONE
RECEPTOR ERR1

(Homo sapiens) 		PF00104
(Hormone_recep) 		5 PHE A 328
LEU A 398
GLY A 402
VAL A 369
VAL A 366
 None
 1.29A 5cp4A-1xb7A:
undetectable		 5cp4A-1xb7A:
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.
1y1p ALDEHYDE REDUCTASE
II

(Sporidiobolus
salmonicolor) 		PF01370
(Epimerase) 		5 THR A 131
LEU A  32
VAL A  28
GLY A 254
VAL A 204
 NMN  A1001 (-4.2A)
None
None
None
None
 1.04A 5cp4A-1y1pA:
undetectable		 5cp4A-1y1pA:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yfo RECEPTOR PROTEIN
TYROSINE PHOSPHATASE
ALPHA

(Mus musculus) 		PF00102
(Y_phosphatase) 		5 THR A 331
GLY A 436
THR A 440
VAL A 328
VAL A 330
 None
 1.27A 5cp4A-1yfoA:
undetectable		 5cp4A-1yfoA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE

(Aquifex
aeolicus) 		PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C) 		5 TYR A 117
GLY A 162
THR A  45
VAL A  51
VAL A  49
 None
 1.13A 5cp4A-1zjrA:
undetectable		 5cp4A-1zjrA:
19.06
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.
1zlp PETAL DEATH PROTEIN

(Dianthus
caryophyllus) 		PF13714
(PEP_mutase) 		5 LEU A 135
GLY A 111
THR A  85
VAL A  89
VAL A  88
 None
 1.23A 5cp4A-1zlpA:
undetectable		 5cp4A-1zlpA:
22.41
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.
2bi7 UDP-GALACTOPYRANOSE
MUTASE

(Klebsiella
pneumoniae) 		PF03275
(GLF)
PF13450
(NAD_binding_8) 		5 THR A 362
VAL A 341
GLY A 342
THR A 355
VAL A  17
 None
None
FAD  A1385 (-3.4A)
FAD  A1385 (-3.4A)
None
 1.28A 5cp4A-2bi7A:
undetectable		 5cp4A-2bi7A:
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.
2dfu PROBABLE
2-HYDROXYHEPTA-2,4-D
IENE-1,7-DIOATE
ISOMERASE

(Thermus
thermophilus) 		PF01557
(FAA_hydrolase)
PF10370
(DUF2437) 		5 THR A 254
VAL A 144
GLY A 115
THR A 187
VAL A 189
 None
 1.21A 5cp4A-2dfuA:
undetectable		 5cp4A-2dfuA:
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.
2ecf DIPEPTIDYL PEPTIDASE
IV

(Stenotrophomonas
maltophilia) 		PF00326
(Peptidase_S9)
PF00930
(DPPIV_N) 		5 LEU A 735
VAL A 631
GLY A 630
THR A 616
VAL A 523
 None
 1.27A 5cp4A-2ecfA:
undetectable		 5cp4A-2ecfA:
20.46
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.
2igf IGG1-KAPPA B13I2 FAB
(HEAVY CHAIN)

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 THR H 173
LEU H 124
GLY H 141
VAL H 210
VAL H 154
 None
 1.41A 5cp4A-2igfH:
undetectable		 5cp4A-2igfH:
18.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2im5 NICOTINATE
PHOSPHORIBOSYLTRANSF
ERASE

(Porphyromonas
gingivalis) 		PF04095
(NAPRTase) 		5 THR A 180
GLY A 166
THR A 335
VAL A 175
VAL A 179
 None
 1.38A 5cp4A-2im5A:
undetectable		 5cp4A-2im5A:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		7 PHE A  87
TYR A  96
LEU A 244
VAL A 247
GLY A 248
THR A 252
VAL A 396
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
HEM  A 501 (-4.5A)
None
HEM  A 501 (-3.9A)
HEM  A 501 (-3.4A)
None
 1.18A 5cp4A-2m56A:
68.4		 5cp4A-2m56A:
99.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		9 PHE A  87
TYR A  96
THR A 185
LEU A 244
VAL A 247
GLY A 248
THR A 252
VAL A 295
VAL A 396
 CAM  A 502 (-4.6A)
CAM  A 502 (-4.5A)
None
HEM  A 501 (-4.5A)
None
HEM  A 501 (-3.9A)
HEM  A 501 (-3.4A)
HEM  A 501 (-4.6A)
None
 0.18A 5cp4A-2m56A:
68.4		 5cp4A-2m56A:
99.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2m56 CAMPHOR
5-MONOOXYGENASE

(Pseudomonas
putida) 		PF00067
(p450) 		5 THR A 181
LEU A 244
GLY A 248
THR A 252
VAL A 396
 None
HEM  A 501 (-4.5A)
HEM  A 501 (-3.9A)
HEM  A 501 (-3.4A)
None
 1.19A 5cp4A-2m56A:
68.4		 5cp4A-2m56A:
99.75
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.
2o2k METHIONINE SYNTHASE

(Homo sapiens) 		PF02965
(Met_synt_B12) 		5 TYR A1219
LEU A1141
VAL A1102
GLY A1030
THR A1199
 None
 1.36A 5cp4A-2o2kA:
undetectable		 5cp4A-2o2kA:
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.
2ofq TRAO
TRAN

(IncN plasmid
R46;
IncN plasmid
R46) 		PF03524
(CagX)
no annotation 		5 PHE A 211
VAL A 262
GLY A 263
VAL A 200
VAL B  33
 None
 1.25A 5cp4A-2ofqA:
undetectable		 5cp4A-2ofqA:
13.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oga TRANSAMINASE

(Streptomyces
venezuelae) 		PF01041
(DegT_DnrJ_EryC1) 		5 THR A 206
LEU A 218
GLY A  77
VAL A 162
VAL A 184
 None
 1.32A 5cp4A-2ogaA:
undetectable		 5cp4A-2ogaA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2owo DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 PHE A 532
TYR A 531
VAL A 552
GLY A 553
VAL A 560
 None
 1.28A 5cp4A-2owoA:
undetectable		 5cp4A-2owoA:
21.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2p2m ACETYL-COENZYME A
SYNTHETASE

(Salmonella
enterica) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 TYR A 488
THR A 416
LEU A 477
VAL A 274
GLY A 273
 None
PRX  A 998 (-3.7A)
None
None
None
 1.10A 5cp4A-2p2mA:
undetectable		 5cp4A-2p2mA:
19.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qzp ACYLAMINO-ACID-RELEA
SING ENZYME

(Aeropyrum
pernix) 		PF00326
(Peptidase_S9) 		5 LEU A 575
VAL A 466
GLY A 465
THR A 451
VAL A 366
 None
 1.30A 5cp4A-2qzpA:
undetectable		 5cp4A-2qzpA:
21.49
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.
2wp8 EXOSOME COMPLEX
EXONUCLEASE DIS3

(Saccharomyces
cerevisiae) 		PF00773
(RNB)
PF13638
(PIN_4)
PF17215
(Rrp44_S1)
PF17216
(Rrp44_CSD1) 		5 LEU J 292
VAL J 290
GLY J 276
VAL J 393
VAL J 392
 None
 1.23A 5cp4A-2wp8J:
undetectable		 5cp4A-2wp8J:
18.26
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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 THR A 362
VAL A 386
GLY A 387
VAL A 394
VAL A 392
 None
None
FAD  A 601 (-3.3A)
None
None
 1.36A 5cp4A-2wu5A:
undetectable		 5cp4A-2wu5A:
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.
2xkr PUTATIVE CYTOCHROME
P450 142

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		5 LEU A 226
GLY A 230
THR A 234
VAL A 277
VAL A 381
 HEM  A1400 (-4.4A)
PG4  A1399 ( 3.2A)
HEM  A1400 (-3.7A)
HEM  A1400 (-4.5A)
None
 0.85A 5cp4A-2xkrA:
44.7		 5cp4A-2xkrA:
28.18
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.
2yln PUTATIVE ABC
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, AMINO ACID

(Neisseria
gonorrhoeae) 		PF00497
(SBP_bac_3) 		5 THR A  79
VAL A  53
GLY A  54
THR A  55
VAL A  76
 None
 1.33A 5cp4A-2ylnA:
undetectable		 5cp4A-2ylnA:
21.98
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.
3a6p EXPORTIN-5

(Homo sapiens) 		PF08389
(Xpo1) 		5 LEU A1028
VAL A1024
GLY A 917
VAL A 900
VAL A 912
 None
 1.41A 5cp4A-3a6pA:
undetectable		 5cp4A-3a6pA:
16.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ega PROTEIN PELLINO
HOMOLOG 2

(Homo sapiens) 		PF04710
(Pellino) 		5 LEU A 248
VAL A 190
GLY A 189
THR A 186
VAL A 213
 None
 1.38A 5cp4A-3egaA:
undetectable		 5cp4A-3egaA:
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.
3evt PHOSPHOGLYCERATE
DEHYDROGENASE

(Lactobacillus
plantarum) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 PHE A 209
LEU A 141
VAL A 166
GLY A 165
THR A 145
 None
 1.41A 5cp4A-3evtA:
undetectable		 5cp4A-3evtA:
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.
3f11 IRON TRANSPORT
PROTEIN

(Synechocystis
sp. PCC 6803) 		PF13343
(SBP_bac_6) 		5 LEU A 100
VAL A 280
GLY A 279
VAL A 317
VAL A 128
 None
 1.25A 5cp4A-3f11A:
undetectable		 5cp4A-3f11A:
22.77
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.
3fn4 NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Moraxella sp.) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 217
VAL A 194
GLY A 195
THR A 252
VAL A 158
 None
 1.36A 5cp4A-3fn4A:
undetectable		 5cp4A-3fn4A:
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.
3fn4 NAD-DEPENDENT
FORMATE
DEHYDROGENASE

(Moraxella sp.) 		PF00389
(2-Hacid_dh)
PF02826
(2-Hacid_dh_C) 		5 LEU A 217
VAL A 194
THR A 252
VAL A 155
VAL A 158
 None
 1.35A 5cp4A-3fn4A:
undetectable		 5cp4A-3fn4A:
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.
3i4k MUCONATE LACTONIZING
ENZYME

(Corynebacterium
glutamicum) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 TYR A 340
LEU A 336
GLY A 332
THR A 303
VAL A  54
 TYR  A 340 ( 1.3A)
LEU  A 336 ( 0.6A)
GLY  A 332 ( 0.0A)
THR  A 303 (-0.8A)
VAL  A  54 ( 0.6A)
 1.39A 5cp4A-3i4kA:
undetectable		 5cp4A-3i4kA:
21.46
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.
3j1c CHAPERONIN ALPHA
SUBUNIT

(Acidianus
tengchongensis) 		PF00118
(Cpn60_TCP1) 		5 PHE A 105
TYR A 447
LEU A 425
THR A 509
VAL A 512
 None
 1.27A 5cp4A-3j1cA:
undetectable		 5cp4A-3j1cA:
21.17
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.
3m0c LOW-DENSITY
LIPOPROTEIN RECEPTOR

(Homo sapiens) 		PF00057
(Ldl_recept_a)
PF00058
(Ldl_recept_b)
PF07645
(EGF_CA)
PF14670
(FXa_inhibition) 		5 THR C 413
LEU C 380
VAL C 632
THR C 638
VAL C 415
 None
 1.36A 5cp4A-3m0cC:
undetectable		 5cp4A-3m0cC:
19.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3oft CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 LEU A  87
GLY A 234
THR A 238
VAL A 281
VAL A 384
 HEM  A 417 (-4.1A)
HEM  A 417 (-4.0A)
HEM  A 417 (-3.6A)
HEM  A 417 ( 4.8A)
None
 1.03A 5cp4A-3oftA:
50.6		 5cp4A-3oftA:
42.58
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.
3one ADENOSYLHOMOCYSTEINA
SE

(Lupinus luteus) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 THR A 324
LEU A 241
GLY A 276
VAL A 290
VAL A 267
 None
 1.37A 5cp4A-3oneA:
undetectable		 5cp4A-3oneA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s55 PUTATIVE SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Mycobacteroides
abscessus) 		PF00106
(adh_short) 		5 THR A  13
VAL A  77
GLY A 130
THR A 131
VAL A 153
 None
NAD  A 279 (-3.6A)
None
None
NAD  A 279 (-4.8A)
 1.38A 5cp4A-3s55A:
undetectable		 5cp4A-3s55A:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3zby P450 HEME-THIOLATE
PROTEIN

(Mycolicibacterium
smegmatis) 		PF00067
(p450) 		5 LEU A 229
GLY A 233
THR A 237
VAL A 280
VAL A 383
 HEM  A1402 ( 4.6A)
EDO  A1406 ( 3.4A)
HEM  A1402 (-3.7A)
HEM  A1402 (-4.4A)
None
 0.89A 5cp4A-3zbyA:
42.5		 5cp4A-3zbyA:
30.63
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.
3zg4 ERFK/YBIS/YCFS/YNHG

(Enterococcus
faecium) 		PF03734
(YkuD) 		5 VAL A 418
GLY A 441
THR A 377
VAL A 347
VAL A 465
 None
 1.25A 5cp4A-3zg4A:
undetectable		 5cp4A-3zg4A:
15.02
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.
4ain GLYCINE BETAINE
TRANSPORTER BETP

(Corynebacterium
glutamicum) 		PF02028
(BCCT) 		5 PHE A  84
THR A  73
LEU A 518
GLY A 503
VAL A  74
 None
 1.38A 5cp4A-4ainA:
undetectable		 5cp4A-4ainA:
20.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4asm BETA-AGARASE D

(Zobellia
galactanivorans) 		no annotation 5 TYR B 194
THR B 265
LEU B 271
VAL B 262
GLY B 261
 None
 1.40A 5cp4A-4asmB:
undetectable		 5cp4A-4asmB:
21.40
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		5 THR A 187
GLY A 256
THR A 260
VAL A 302
VAL A 404
 None
HEM  A1418 (-3.8A)
HEM  A1418 (-3.6A)
HEM  A1418 ( 4.5A)
GOL  A1419 (-3.5A)
 1.32A 5cp4A-4c9mA:
59.0		 5cp4A-4c9mA:
44.92
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		7 TYR A  98
THR A 187
LEU A 252
GLY A 256
THR A 260
VAL A 303
VAL A 404
 None
None
HEM  A1418 (-4.0A)
HEM  A1418 (-3.8A)
HEM  A1418 (-3.6A)
GOL  A1419 (-3.9A)
GOL  A1419 (-3.5A)
 0.33A 5cp4A-4c9mA:
59.0		 5cp4A-4c9mA:
44.92
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.
4ci0 F420-REDUCING
HYDROGENASE, SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF04422
(FrhB_FdhB_N)
PF04432
(FrhB_FdhB_C) 		5 THR C 207
LEU C  33
VAL C  29
GLY C  31
VAL C 219
 FAD  C1283 (-4.6A)
None
FAD  C1283 (-4.0A)
None
None
 1.31A 5cp4A-4ci0C:
undetectable		 5cp4A-4ci0C:
20.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dxy CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		6 PHE A  87
LEU A 250
GLY A 254
THR A 258
VAL A 301
VAL A 402
 None
HEM  A 501 (-4.3A)
PEG  A 502 (-3.8A)
HEM  A 501 (-3.7A)
PEG  A 502 ( 4.5A)
None
 0.89A 5cp4A-4dxyA:
52.2		 5cp4A-4dxyA:
46.24
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.
4e3a SUGAR KINASE PROTEIN

(Rhizobium etli) 		PF00294
(PfkB) 		5 PHE A 211
GLY A 285
THR A 287
VAL A   4
VAL A 150
 None
 1.36A 5cp4A-4e3aA:
undetectable		 5cp4A-4e3aA:
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.
4f85 GERANYL DIPHOSPHATE
2-C-METHYLTRANSFERAS
E

(Streptomyces
lasaliensis) 		PF02353
(CMAS) 		5 PHE A 198
THR A 167
VAL A 134
GLY A 113
VAL A 191
 None
 1.33A 5cp4A-4f85A:
undetectable		 5cp4A-4f85A:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4glx DNA LIGASE

(Escherichia
coli) 		PF01653
(DNA_ligase_aden)
PF03119
(DNA_ligase_ZBD)
PF03120
(DNA_ligase_OB)
PF12826
(HHH_2)
PF14520
(HHH_5) 		5 PHE A 532
TYR A 531
VAL A 552
GLY A 553
VAL A 560
 None
 1.29A 5cp4A-4glxA:
undetectable		 5cp4A-4glxA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i3g BETA-GLUCOSIDASE

(Streptomyces
venezuelae) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 TYR A 573
THR A 590
GLY A 440
THR A 554
VAL A 546
 None
SO4  A 904 (-4.5A)
None
None
None
 1.21A 5cp4A-4i3gA:
undetectable		 5cp4A-4i3gA:
20.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k9q BENZOYLFORMATE
DECARBOXYLASE

(Polynucleobacter
necessarius) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 THR A 441
VAL A 408
GLY A 409
VAL A  21
VAL A  42
 None
 1.11A 5cp4A-4k9qA:
undetectable		 5cp4A-4k9qA:
24.31
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.
4l7z HPCH/HPAI ALDOLASE

(Chloroflexus
aurantiacus) 		PF03328
(HpcH_HpaI) 		5 LEU A  59
VAL A  91
GLY A  57
VAL A  78
VAL A  79
 None
 1.07A 5cp4A-4l7zA:
undetectable		 5cp4A-4l7zA:
23.88
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.
4lbw ELONGATION FACTOR
TU-A

(Thermus
thermophilus) 		PF00009
(GTP_EFTU)
PF03143
(GTP_EFTU_D3)
PF03144
(GTP_EFTU_D2) 		5 PHE A 221
VAL A 288
GLY A 287
THR A 239
VAL A 225
 None
 1.31A 5cp4A-4lbwA:
undetectable		 5cp4A-4lbwA:
23.63
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.
4nk7 SERINE/THREONINE-PRO
TEIN KINASE PLK4

(Drosophila
melanogaster) 		no annotation 5 LEU A 409
GLY A 412
THR A 391
VAL A 495
VAL A 492
 None
 1.16A 5cp4A-4nk7A:
undetectable		 5cp4A-4nk7A:
19.71
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.
4oh0 BETA-LACTAMASE
OXA-58

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		5 PHE A  57
THR A  59
GLY A 275
VAL A 238
VAL A 246
 None
 1.30A 5cp4A-4oh0A:
undetectable		 5cp4A-4oh0A:
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.
4psm SSDNA BINDING
PROTEIN

(Pyrococcus
furiosus) 		PF10015
(DUF2258) 		5 LEU A  42
VAL A  18
THR A   6
VAL A  61
VAL A   9
 None
 1.41A 5cp4A-4psmA:
undetectable		 5cp4A-4psmA:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C) 		no annotation 5 THR A 819
LEU A 753
VAL A 752
GLY A 751
VAL A 821
 None
 1.36A 5cp4A-4qnlA:
undetectable		 5cp4A-4qnlA:
18.06
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.
4ruw ENDONUCLEASE/EXONUCL
EASE/PHOSPHATASE

(Beutenbergia
cavernae) 		PF03372
(Exo_endo_phos) 		5 THR A 275
LEU A 233
GLY A 231
THR A  57
VAL A 321
 None
 1.28A 5cp4A-4ruwA:
undetectable		 5cp4A-4ruwA:
22.95
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.
4s1p UNCHARACTERIZED
PROTEIN

(Slackia
heliotrinireducens) 		PF13472
(Lipase_GDSL_2) 		5 TYR A  80
THR A 103
LEU A  38
GLY A   7
THR A  11
 None
 1.16A 5cp4A-4s1pA:
undetectable		 5cp4A-4s1pA:
20.05
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.
4ymw ABC-TYPE POLAR AMINO
ACID TRANSPORT
SYSTEM, ATPASE
COMPONENT

(Caldanaerobacter
subterraneus) 		no annotation 5 THR J 188
LEU J  22
VAL J  24
VAL J  79
VAL J 157
 None
 1.15A 5cp4A-4ymwJ:
undetectable		 5cp4A-4ymwJ:
19.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5boh BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		5 PHE A  57
THR A  59
GLY A 275
VAL A 238
VAL A 246
 None
 1.33A 5cp4A-5bohA:
undetectable		 5cp4A-5bohA:
19.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5btb AFR263CP

(Eremothecium
gossypii) 		PF08652
(RAI1) 		5 THR A 316
LEU A  18
VAL A 205
GLY A 204
VAL A 109
 None
 1.16A 5cp4A-5btbA:
undetectable		 5cp4A-5btbA:
22.68
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.
5by3 BTGH115A

(Bacteroides
thetaiotaomicron) 		PF15979
(Glyco_hydro_115) 		5 LEU A  78
VAL A  70
GLY A  71
THR A 116
VAL A  40
 None
 1.22A 5cp4A-5by3A:
undetectable		 5cp4A-5by3A:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f7s GLYCOSIDE HYDROLASE
FAMILY 31

(Trueperella
pyogenes) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 PHE A 655
TYR A 656
VAL A 276
VAL A 175
VAL A 218
 None
 1.41A 5cp4A-5f7sA:
undetectable		 5cp4A-5f7sA:
21.89
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.
5f8p ALPHA-KETOGLUTARATE-
DEPENDENT
DIOXYGENASE FTO

(Homo sapiens) 		PF12933
(FTO_NTD)
PF12934
(FTO_CTD) 		5 TYR A 106
THR A 111
LEU A 203
THR A  92
VAL A  83
 None
None
None
FIJ  A 602 (-3.7A)
None
 1.40A 5cp4A-5f8pA:
undetectable		 5cp4A-5f8pA:
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.
5gle ISCHORISMATE LYASE

(Vibrio
anguillarum) 		no annotation 5 THR A  64
LEU A  38
VAL A  35
VAL A 200
VAL A  63
 None
 1.39A 5cp4A-5gleA:
undetectable		 5cp4A-5gleA:
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.
5hy4 RING-OPENING
AMIDOHYDROLASE

(Frankia sp.
Eul1b) 		PF09663
(Amido_AtzD_TrzD) 		5 THR A 250
LEU A 224
GLY A 219
VAL A 261
VAL A 176
 None
 1.35A 5cp4A-5hy4A:
undetectable		 5cp4A-5hy4A:
23.34
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.
5ip9 DNA-DIRECTED RNA
POLYMERASE II
SUBUNIT RPB1

(Saccharomyces
cerevisiae) 		PF00623
(RNA_pol_Rpb1_2)
PF04983
(RNA_pol_Rpb1_3)
PF04990
(RNA_pol_Rpb1_7)
PF04992
(RNA_pol_Rpb1_6)
PF04997
(RNA_pol_Rpb1_1)
PF04998
(RNA_pol_Rpb1_5)
PF05000
(RNA_pol_Rpb1_4) 		5 THR A1329
VAL A1311
GLY A1310
THR A1308
VAL A1118
 None
 1.17A 5cp4A-5ip9A:
undetectable		 5cp4A-5ip9A:
13.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5k52 ALDEHYDE
DECARBONYLASE

(Limnothrix sp.
KNUA012) 		PF11266
(Ald_deCOase) 		5 TYR A  17
LEU A  74
VAL A  76
GLY A  71
VAL A  28
 None
None
None
None
OCD  A 500 ( 4.6A)
 1.29A 5cp4A-5k52A:
undetectable		 5cp4A-5k52A:
21.65
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.
5k53 ALDEHYDE
DEFORMYLATING
OXYGENASE

(Oscillatoria
sp.) 		PF11266
(Ald_deCOase) 		5 TYR A  17
LEU A  74
VAL A  76
GLY A  71
VAL A  28
 None
None
None
None
STE  A 502 ( 4.8A)
 1.21A 5cp4A-5k53A:
undetectable		 5cp4A-5k53A:
21.55
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kyo CYP101J2

(Sphingobium
yanoikuyae) 		PF00067
(p450) 		5 VAL A 249
GLY A 250
THR A 254
VAL A 297
VAL A 398
 None
HEM  A 501 (-3.8A)
HEM  A 501 (-3.5A)
HEM  A 501 (-4.3A)
None
 0.87A 5cp4A-5kyoA:
50.2		 5cp4A-5kyoA:
40.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5kyo CYP101J2

(Sphingobium
yanoikuyae) 		PF00067
(p450) 		5 VAL A 249
GLY A 251
THR A 254
VAL A 297
VAL A 398
 None
HEM  A 501 (-3.3A)
HEM  A 501 (-3.5A)
HEM  A 501 (-4.3A)
None
 0.94A 5cp4A-5kyoA:
50.2		 5cp4A-5kyoA:
40.60
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.
5lir SIGMA CROSS-REACTING
PROTEIN 27A
(SCRP-27A)

(Salmonella
enterica) 		PF01965
(DJ-1_PfpI) 		5 THR A  28
VAL A   9
GLY A   8
VAL A 215
VAL A 212
 None
 1.42A 5cp4A-5lirA:
undetectable		 5cp4A-5lirA:
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.
5nkn NEUTROPHIL
GELATINASE-ASSOCIATE
D LIPOCALIN

(Homo sapiens) 		no annotation 5 PHE A 134
THR A 136
LEU A  94
THR A  54
VAL A  33
 LOC  A 201 (-3.8A)
LOC  A 201 (-3.5A)
None
LOC  A 201 ( 4.6A)
None
 1.35A 5cp4A-5nknA:
undetectable		 5cp4A-5nknA:
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.
5nqd ARSENITE OXIDASE
LARGE SUBUNIT AIOA
[3FE-4S] CLUSTER,
MO-MOLYBDOPTERIN
COFACTOR-BINDING
ACTIVE SITE

(Rhizobium sp.
NT-26) 		no annotation 5 PHE A 499
TYR A 503
LEU A 538
GLY A 479
VAL A 470
 None
 1.41A 5cp4A-5nqdA:
undetectable		 5cp4A-5nqdA:
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.
5ocp -

(-) 		no annotation 5 LEU A  33
VAL A   3
GLY A   4
VAL A  87
VAL A  85
 None
 1.15A 5cp4A-5ocpA:
undetectable		 5cp4A-5ocpA:
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.
5oup PERFORIN-LIKE
PROTEIN 1

(Toxoplasma
gondii) 		no annotation 5 LEU A 619
VAL A 616
GLY A 615
VAL A 496
VAL A 608
 None
 1.40A 5cp4A-5oupA:
undetectable		 5cp4A-5oupA:
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.
5t33 CAP257-RH1 HEAVY
CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		5 PHE H  67
LEU H  18
VAL H 109
GLY H   9
THR H 107
 None
 1.34A 5cp4A-5t33H:
undetectable		 5cp4A-5t33H:
17.48
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.
5tw1 DNA-DIRECTED RNA
POLYMERASE SUBUNIT
BETA

(Mycolicibacterium
smegmatis) 		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)
PF10385
(RNA_pol_Rpb2_45) 		5 LEU C 980
VAL C 993
GLY C 997
THR C1015
VAL C 712
 None
 1.40A 5cp4A-5tw1C:
undetectable		 5cp4A-5tw1C:
16.94
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.
5udb DNA REPLICATION
LICENSING FACTOR
MCM3

(Saccharomyces
cerevisiae) 		PF00493
(MCM)
PF17207
(MCM_OB) 		5 THR 3 432
VAL 3 440
GLY 3 441
VAL 3 512
VAL 3 470
 None
 1.13A 5cp4A-5udb3:
undetectable		 5cp4A-5udb3:
16.74
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.
5xks THERMOSTABLE
MONOACYLGLYCEROL
LIPASE

(Geobacillus sp.
12AMOR1) 		no annotation 5 PHE A 245
LEU A  39
VAL A  25
GLY A  95
THR A 103
 None
 1.36A 5cp4A-5xksA:
undetectable		 5cp4A-5xksA:
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.
6bld CYTOCHROME P450
268A2 CYP268A2

(Mycobacterium
marinum) 		no annotation 5 LEU A 256
VAL A 259
THR A 264
VAL A 308
VAL A 409
 HEM  A 501 ( 4.8A)
DXJ  A 502 (-4.5A)
HEM  A 501 (-3.4A)
HEM  A 501 ( 4.6A)
None
 0.83A 5cp4A-6bldA:
42.4		 5cp4A-6bldA:
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.
6chk TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY

(Lactobacillus
paracasei) 		no annotation 5 THR A 247
LEU A 260
VAL A 256
GLY A 230
VAL A 182
 None
 1.23A 5cp4A-6chkA:
undetectable		 5cp4A-6chkA:
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.
6con COA-TRANSFERASE
SUBUNIT ALPHA

(Mycobacterium
tuberculosis) 		no annotation 5 VAL A  74
GLY A  53
THR A  51
VAL A  49
VAL A  69
 None
 1.17A 5cp4A-6conA:
undetectable		 5cp4A-6conA:
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.
6dfz GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Acropora
millepora) 		no annotation 5 THR A 153
LEU A 227
GLY A 217
VAL A 133
VAL A 130
 None
 1.42A 5cp4A-6dfzA:
undetectable		 5cp4A-6dfzA:
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.
6eic MYCOBACTERIUM
TUBERCULOSIS
MONOGLYCERIDE LIPASE

(Mycobacterium
tuberculosis) 		no annotation 5 LEU C 214
VAL C 121
GLY C 120
VAL C 137
VAL C 203
 None
 1.25A 5cp4A-6eicC:
undetectable		 5cp4A-6eicC:
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.
6f34 AMINO ACID
TRANSPORTER

(Geobacillus
kaustophilus) 		no annotation 5 THR A 228
VAL A  51
GLY A  50
THR A  49
VAL A 229
 None
 1.31A 5cp4A-6f34A:
undetectable		 5cp4A-6f34A:
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.
6fkh ATP SYNTHASE SUBUNIT
ALPHA, CHLOROPLASTIC

(Spinacia
oleracea) 		no annotation 5 THR C 183
VAL C 160
GLY C 161
THR C 315
VAL C 192
 None
 1.39A 5cp4A-6fkhC:
undetectable		 5cp4A-6fkhC:
undetectable