SIMILAR PATTERNS OF AMINO ACIDS FOR 4KQI_A_NIOA403

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.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 GLY A 180
GLY A 164
SER A 162
GLU A 146
GLY A 341
 None
 1.13A 4kqiA-1aorA:
undetectable		 4kqiA-1aorA:
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.
1b3b PROTEIN (GLUTAMATE
DEHYDROGENASE)

(Thermotoga
maritima) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A 183
GLY A 191
LEU A 370
GLU A 186
GLY A 344
 None
 1.34A 4kqiA-1b3bA:
undetectable		 4kqiA-1b3bA:
23.22
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.
1cli PROTEIN
(PHOSPHORIBOSYL-AMIN
OIMIDAZOLE
SYNTHETASE)

(Escherichia
coli) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLY A  84
GLY A  68
LEU A  71
SER A 191
GLY A  66
 None
SO4  A4350 ( 3.9A)
None
None
None
 1.09A 4kqiA-1cliA:
undetectable		 4kqiA-1cliA:
24.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ee2 ALCOHOL
DEHYDROGENASE

(Equus caballus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 THR A 369
GLY A 357
GLY A 364
SER A 363
ARG A 362
 None
 1.30A 4kqiA-1ee2A:
undetectable		 4kqiA-1ee2A:
24.28
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.
1g6v ANTIBODY HEAVY CHAIN

(Camelus
dromedarius) 		PF07686
(V-set) 		5 GLY K 917
GLY K 835
GLU K 806
ARG K 916
GLY K 896
 None
 1.21A 4kqiA-1g6vK:
undetectable		 4kqiA-1g6vK:
15.16
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.
1gan GALECTIN-1

(Rhinella
arenarum) 		PF00337
(Gal-bind_lectin) 		5 GLY A  22
GLY A   4
PHE A 128
LEU A 123
GLY A 125
 None
 1.12A 4kqiA-1ganA:
undetectable		 4kqiA-1ganA:
16.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gz7 LIPASE 2

(Diutina rugosa) 		PF00135
(COesterase) 		5 GLY A 107
GLY A 113
LEU A 114
ARG A 109
GLY A 197
 None
 1.31A 4kqiA-1gz7A:
2.4		 4kqiA-1gz7A:
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.
1iok CHAPERONIN 60

(Paracoccus
denitrificans) 		PF00118
(Cpn60_TCP1) 		5 THR A  90
GLY A  53
GLY A  32
LEU A  31
GLY A  35
 None
 1.33A 4kqiA-1iokA:
undetectable		 4kqiA-1iokA:
23.60
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j33 COBT

(Thermus
thermophilus) 		PF02277
(DBI_PRT) 		7 THR A 168
GLY A 190
GLY A 251
PHE A 252
SER A 278
GLU A 280
ARG A 279
 None
 0.90A 4kqiA-1j33A:
47.1		 4kqiA-1j33A:
35.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1j33 COBT

(Thermus
thermophilus) 		PF02277
(DBI_PRT) 		7 THR A 168
GLY A 190
GLY A 251
PHE A 252
SER A 278
GLU A 280
GLY A 303
 None
 0.50A 4kqiA-1j33A:
47.1		 4kqiA-1j33A:
35.75
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.
1jft PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF00356
(LacI)
PF13377
(Peripla_BP_3) 		5 GLY A 246
GLY A 199
PHE A 200
LEU A 197
GLY A 195
 None
 1.01A 4kqiA-1jftA:
undetectable		 4kqiA-1jftA:
22.70
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.
1jhz PURINE NUCLEOTIDE
SYNTHESIS REPRESSOR

(Escherichia
coli) 		PF13377
(Peripla_BP_3) 		5 GLY A 246
GLY A 199
PHE A 200
LEU A 197
GLY A 195
 None
 1.18A 4kqiA-1jhzA:
undetectable		 4kqiA-1jhzA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1k32 TRICORN PROTEASE

(Thermoplasma
acidophilum) 		PF03572
(Peptidase_S41)
PF07676
(PD40)
PF14684
(Tricorn_C1)
PF14685
(Tricorn_PDZ) 		5 GLY A 411
GLY A 416
PHE A 418
LEU A 433
GLY A 370
 None
 1.28A 4kqiA-1k32A:
undetectable		 4kqiA-1k32A:
15.58
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.
1kpl PUTATIVE CLC FAMILY,
CHLORINE TRANSPORT
PROTEIN

(Salmonella
enterica) 		PF00654
(Voltage_CLC) 		5 THR A 138
GLY A 135
GLY A 355
LEU A 145
GLY A 106
 None
None
CL  A 503 (-3.5A)
None
None
 1.29A 4kqiA-1kplA:
undetectable		 4kqiA-1kplA:
24.65
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.
1kyo HEAVY CHAIN (VH) OF
FV-FRAGMENT

(Mus musculus) 		PF07686
(V-set) 		5 GLY J 115
GLY J   8
LEU J  20
GLU J   6
GLY J  10
 None
 1.19A 4kqiA-1kyoJ:
undetectable		 4kqiA-1kyoJ:
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.
1lba T7 LYSOZYME

(Escherichia
virus T7) 		PF01510
(Amidase_2) 		5 GLY A  71
GLY A  78
PHE A  15
SER A  76
GLY A  66
 None
 1.28A 4kqiA-1lbaA:
undetectable		 4kqiA-1lbaA:
17.88
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.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1

(Hordeum vulgare) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 GLY A 245
PHE A 194
SER A 247
ARG A 351
GLY A 191
 None
 1.29A 4kqiA-1lq2A:
1.4		 4kqiA-1lq2A:
22.79
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.
1lq2 BETA-D-GLUCAN
GLUCOHYDROLASE
ISOENZYME EXO1

(Hordeum vulgare) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C) 		5 THR A  84
GLY A  87
GLY A  30
PHE A  49
GLY A  51
 None
 1.21A 4kqiA-1lq2A:
1.4		 4kqiA-1lq2A:
22.79
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.
1ors 33H1 FAB HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY B 111
GLY B   8
LEU B  20
GLU B   6
GLY B  10
 None
 1.26A 4kqiA-1orsB:
undetectable		 4kqiA-1orsB:
19.88
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.
1r6v SUBTILISIN-LIKE
SERINE PROTEASE

(Fervidobacterium
pennivorans) 		PF00082
(Peptidase_S8) 		5 THR A 463
GLY A 467
GLY A 611
SER A 610
GLY A  24
 None
 1.19A 4kqiA-1r6vA:
undetectable		 4kqiA-1r6vA:
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.
1spi FRUCTOSE
1,6-BISPHOSPHATASE

(Spinacia
oleracea) 		PF00316
(FBPase) 		5 GLY A 289
GLY A 276
PHE A 278
LEU A 274
GLY A 272
 None
 1.06A 4kqiA-1spiA:
undetectable		 4kqiA-1spiA:
23.00
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.
1ti8 HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY A 116
LEU A 260
SER A 265
GLU A 114
ARG A 113
 None
 1.08A 4kqiA-1ti8A:
undetectable		 4kqiA-1ti8A:
21.35
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.
1v19 2-KETO-3-DEOXYGLUCON
ATE KINASE

(Thermus
thermophilus) 		PF00294
(PfkB) 		5 THR A 135
GLY A  54
LEU A 113
GLU A  36
GLY A 110
 None
 1.29A 4kqiA-1v19A:
undetectable		 4kqiA-1v19A:
24.30
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.
1x3l HYPOTHETICAL PROTEIN
PH0495

(Pyrococcus
horikoshii) 		PF05161
(MOFRL)
PF13660
(DUF4147) 		5 THR A 418
GLY A 369
GLY A 379
PHE A 365
LEU A 416
 None
 1.34A 4kqiA-1x3lA:
undetectable		 4kqiA-1x3lA:
23.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yqd SINAPYL ALCOHOL
DEHYDROGENASE

(Populus
tremuloides) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A 294
GLY A 266
PHE A 265
LEU A 268
GLY A 246
 None
 1.22A 4kqiA-1yqdA:
2.1		 4kqiA-1yqdA:
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.
2f9y ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Escherichia
coli) 		PF01039
(Carboxyl_trans) 		5 GLY B 229
GLY B 205
PHE B 227
SER B 207
GLY B 163
 None
 1.29A 4kqiA-2f9yB:
undetectable		 4kqiA-2f9yB:
24.32
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.
2h88 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Gallus gallus) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 THR A 583
GLY A 538
GLY A 368
PHE A 249
GLU A 248
 None
None
K  A 622 (-4.4A)
None
None
 1.17A 4kqiA-2h88A:
undetectable		 4kqiA-2h88A:
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.
2mpu RBP1

(Hordeum vulgare) 		PF00076
(RRM_1) 		5 THR A  20
GLY A  24
GLY A  14
LEU A  16
GLY A  53
 None
 1.35A 4kqiA-2mpuA:
undetectable		 4kqiA-2mpuA:
14.04
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.
2pqd 3-PHOSPHOSHIKIMATE
1-CARBOXYVINYLTRANSF
ERASE

(Agrobacterium
sp.) 		PF00275
(EPSP_synthase) 		5 GLY A 209
GLY A  38
PHE A  37
LEU A 234
GLY A 236
 None
 1.19A 4kqiA-2pqdA:
undetectable		 4kqiA-2pqdA:
24.45
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 THR A 138
GLY A 135
GLY A 355
LEU A 145
GLY A 106
 None
None
CL  A   2 ( 3.0A)
None
CL  A   1 ( 3.8A)
 1.24A 4kqiA-2r9hA:
undetectable		 4kqiA-2r9hA:
25.73
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.
2v9y PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Homo sapiens) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLY A 513
GLY A 497
LEU A 500
SER A 621
GLY A 495
 None
SO4  A1793 ( 3.8A)
None
None
None
 1.25A 4kqiA-2v9yA:
undetectable		 4kqiA-2v9yA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wf7 BETA-PHOSPHOGLUCOMUT
ASE

(Lactococcus
lactis) 		PF13419
(HAD_2) 		5 THR A  16
GLY A  11
GLY A 119
LEU A 122
SER A 114
 None
MG  A1220 ( 4.5A)
None
None
ALF  A1219 (-2.8A)
 1.28A 4kqiA-2wf7A:
undetectable		 4kqiA-2wf7A:
20.49
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.
2y8n 4-HYDROXYPHENYLACETA
TE DECARBOXYLASE
LARGE SUBUNIT

(Clostridium
scatologenes) 		PF01228
(Gly_radical)
PF02901
(PFL-like) 		5 THR A 774
GLY A 756
GLY A 778
SER A 751
GLY A 640
 None
 1.33A 4kqiA-2y8nA:
1.3		 4kqiA-2y8nA:
18.04
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.
3cgw LPPG:FO
2-PHOSPHO-L-LACTATE
TRANSFERASE

(Methanosarcina
mazei) 		PF01933
(UPF0052) 		5 THR A  10
GLY A   9
GLY A  16
LEU A  14
SER A 292
 None
 1.34A 4kqiA-3cgwA:
2.8		 4kqiA-3cgwA:
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.
3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE

(Shewanella
oneidensis) 		PF03702
(AnmK) 		5 THR A 242
GLY A 243
PHE A 247
ARG A 244
GLY A 170
 None
SIN  A 374 ( 3.8A)
None
None
None
 1.33A 4kqiA-3cqyA:
undetectable		 4kqiA-3cqyA:
24.38
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.
3doh ESTERASE

(Thermotoga
maritima) 		PF02230
(Abhydrolase_2) 		5 GLY A 199
LEU A 285
GLU A 200
ARG A 201
GLY A 288
 SO4  A 400 (-4.3A)
None
SO4  A 400 ( 4.3A)
None
None
 1.35A 4kqiA-3dohA:
3.4		 4kqiA-3dohA:
22.51
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.
3epm THIAMINE
BIOSYNTHESIS PROTEIN
THIC

(Caulobacter
vibrioides) 		PF01964
(ThiC_Rad_SAM)
PF13667
(ThiC-associated) 		5 THR A 400
GLY A 397
GLY A 373
LEU A 372
GLY A 315
 None
 1.28A 4kqiA-3epmA:
3.0		 4kqiA-3epmA:
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.
3fdg DIPEPTIDASE AC.
METALLO PEPTIDASE.
MEROPS FAMILY M19

(Rhodobacter
sphaeroides) 		PF01244
(Peptidase_M19) 		5 GLY A 138
GLY A 171
PHE A 170
ARG A 166
GLY A 173
 None
 1.24A 4kqiA-3fdgA:
undetectable		 4kqiA-3fdgA:
22.94
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.
3grz RIBOSOMAL PROTEIN
L11
METHYLTRANSFERASE

(Lactobacillus
delbrueckii) 		PF06325
(PrmA) 		5 THR A 163
GLY A 158
GLY A 188
LEU A 190
SER A 187
 None
 1.31A 4kqiA-3grzA:
undetectable		 4kqiA-3grzA:
20.94
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.
3hrd NICOTINATE
DEHYDROGENASE
FAD-SUBUNIT
NICOTINATE
DEHYDROGENASE SMALL
FES SUBUNIT

(Eubacterium
barkeri) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01799
(Fer2_2)
PF03450
(CO_deh_flav_C) 		5 THR D  60
GLY D  45
GLY C 109
LEU C 108
GLY C  33
 FES  D 908 (-4.2A)
FES  D 908 ( 3.2A)
FAD  C 900 ( 3.8A)
None
FAD  C 900 (-3.3A)
 0.95A 4kqiA-3hrdD:
undetectable		 4kqiA-3hrdD:
21.13
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.
3isa PUTATIVE ENOYL-COA
HYDRATASE/ISOMERASE

(Bordetella
parapertussis) 		PF00378
(ECH_1) 		5 GLY A 144
GLY A 140
LEU A 137
SER A 228
GLY A 136
 None
None
None
None
CL  A 256 (-3.4A)
 1.24A 4kqiA-3isaA:
undetectable		 4kqiA-3isaA:
21.70
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.
3it8 2L PROTEIN

(Tanapox virus) 		no annotation 5 GLY D 108
GLY D 105
GLU D 159
ARG D 119
GLY D 246
 None
 1.03A 4kqiA-3it8D:
undetectable		 4kqiA-3it8D:
18.16
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.
3kfu GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A

(Thermus
thermophilus) 		PF01425
(Amidase) 		5 GLY E 335
GLY E 115
PHE E 114
GLU E 113
GLY E 117
 None
 1.05A 4kqiA-3kfuE:
undetectable		 4kqiA-3kfuE:
25.45
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.
3mcp GLUCOKINASE

(Parabacteroides
distasonis) 		PF00480
(ROK) 		5 GLY A 151
GLY A 155
PHE A 158
LEU A 154
GLY A 265
 None
 1.25A 4kqiA-3mcpA:
undetectable		 4kqiA-3mcpA:
22.59
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.
3o75 FRUCTOSE TRANSPORT
SYSTEM REPRESSOR
FRUR

(Pseudomonas
putida) 		PF00532
(Peripla_BP_1) 		6 GLY A 225
LEU A 228
SER A 221
GLU A 218
ARG A 188
GLY A 186
 None
 1.43A 4kqiA-3o75A:
undetectable		 4kqiA-3o75A:
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.
3ohm 1-PHOSPHATIDYLINOSIT
OL-4,5-BISPHOSPHATE
PHOSPHODIESTERASE
BETA-3

(Homo sapiens) 		PF00168
(C2)
PF00387
(PI-PLC-Y)
PF00388
(PI-PLC-X)
PF09279
(EF-hand_like) 		5 GLY B 651
GLY B 339
LEU B 341
SER B 656
ARG B 653
 None
 1.34A 4kqiA-3ohmB:
undetectable		 4kqiA-3ohmB:
17.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pt1 UPF0364 PROTEIN
YMR027W

(Saccharomyces
cerevisiae) 		PF01937
(DUF89) 		5 THR A 194
GLY A 191
GLY A 147
LEU A 199
SER A 144
 GOL  A1000 (-4.5A)
None
None
None
None
 1.27A 4kqiA-3pt1A:
undetectable		 4kqiA-3pt1A:
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.
3tav METHIONINE
AMINOPEPTIDASE

(Mycobacteroides
abscessus) 		PF00557
(Peptidase_M24) 		5 GLY A 163
GLY A 176
PHE A 175
LEU A 220
ARG A 165
 None
 0.96A 4kqiA-3tavA:
undetectable		 4kqiA-3tavA:
24.60
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.
3tt2 GCN5-RELATED
N-ACETYLTRANSFERASE

(Sphaerobacter
thermophilus) 		PF00583
(Acetyltransf_1) 		5 THR A 234
GLY A 250
GLY A 237
LEU A 236
GLY A 247
 None
 1.29A 4kqiA-3tt2A:
undetectable		 4kqiA-3tt2A:
23.90
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.
3uk8 CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 THR A 512
GLY A 570
GLY A 561
LEU A 508
ARG A 566
 None
 1.27A 4kqiA-3uk8A:
undetectable		 4kqiA-3uk8A:
22.75
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.
3vtf UDP-GLUCOSE
6-DEHYDROGENASE

(Pyrobaculum
islandicum) 		PF00984
(UDPG_MGDP_dh)
PF03720
(UDPG_MGDP_dh_C)
PF03721
(UDPG_MGDP_dh_N) 		5 GLY A 129
GLY A 175
SER A 152
GLU A 205
GLY A 177
 None
 1.17A 4kqiA-3vtfA:
undetectable		 4kqiA-3vtfA:
22.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3x1l CRISPR SYSTEM CMR
SUBUNIT CMR2

(Pyrococcus
furiosus) 		PF12469
(DUF3692) 		5 GLY A 856
PHE A 860
LEU A 857
SER A 761
ARG A 846
 None
 1.31A 4kqiA-3x1lA:
undetectable		 4kqiA-3x1lA:
18.80
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.
4bej DYNAMIN 1-LIKE
PROTEIN

(Homo sapiens) 		PF00350
(Dynamin_N)
PF01031
(Dynamin_M)
PF02212
(GED) 		5 THR A 288
GLY A 281
LEU A 285
ARG A 279
GLY A 243
 None
 1.29A 4kqiA-4bejA:
undetectable		 4kqiA-4bejA:
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.
4cak INTEGRIN BETA-3

(Homo sapiens) 		PF00362
(Integrin_beta)
PF07965
(Integrin_B_tail)
PF07974
(EGF_2)
PF17205
(PSI_integrin) 		5 GLY B 595
GLY B 577
SER B 576
GLU B 599
GLY B 579
 None
 1.20A 4kqiA-4cakB:
undetectable		 4kqiA-4cakB:
17.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f7a PUTATIVE
UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF12741
(SusD-like) 		5 THR A  99
GLY A 327
GLY A  85
PHE A  83
GLY A 290
 None
 1.19A 4kqiA-4f7aA:
undetectable		 4kqiA-4f7aA:
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.
4hq6 ACETYL-COA
CARBOXYLASE 2

(Homo sapiens) 		PF00289
(Biotin_carb_N)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		5 GLY A 486
GLY A 458
SER A 456
GLU A 457
GLY A 463
 None
 1.33A 4kqiA-4hq6A:
undetectable		 4kqiA-4hq6A:
21.26
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.
4hz8 BETA-GLUCOSIDASE

(uncultured
bacterium) 		PF00232
(Glyco_hydro_1) 		5 GLY A 170
GLY A 220
LEU A 221
GLU A 166
GLY A 211
 None
 1.18A 4kqiA-4hz8A:
undetectable		 4kqiA-4hz8A:
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.
4k3e BOVINE ANTIBODY WITH
ULTRALONG CDR H3,
HEAVY CHAIN

(Bos taurus) 		PF07654
(C1-set)
PF07686
(V-set) 		5 GLY H 106
LEU H  20
GLU H   6
ARG H   5
GLY H   8
 None
 1.24A 4kqiA-4k3eH:
undetectable		 4kqiA-4k3eH:
21.08
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.
4k5r OXYGENASE

(Streptomyces
argillaceus) 		PF01494
(FAD_binding_3) 		5 GLY A 301
GLY A  92
PHE A  85
LEU A  93
GLY A  82
 None
 1.11A 4kqiA-4k5rA:
undetectable		 4kqiA-4k5rA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4knc ALGINATE
BIOSYNTHESIS PROTEIN
ALGX

(Pseudomonas
aeruginosa) 		no annotation 5 THR B 243
GLY B 279
PHE B 207
SER B 285
GLU B 282
 None
 1.32A 4kqiA-4kncB:
undetectable		 4kqiA-4kncB:
22.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4kqk NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Salmonella
enterica) 		PF02277
(DBI_PRT) 		8 THR A 180
GLY A 202
GLY A 264
PHE A 265
LEU A 266
SER A 291
ARG A 314
GLY A 316
 SO4  A 402 (-2.9A)
SO4  A 402 (-3.6A)
None
None
None
None
None
None
 0.56A 4kqiA-4kqkA:
63.5		 4kqiA-4kqkA:
98.88
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.
4n0i GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A,
MITOCHONDRIAL

(Saccharomyces
cerevisiae) 		PF01425
(Amidase) 		5 GLY A 328
GLY A 101
PHE A 100
GLU A  99
GLY A 103
 None
None
None
None
GLN  A 501 (-3.8A)
 1.14A 4kqiA-4n0iA:
undetectable		 4kqiA-4n0iA:
21.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ope NRPS/PKS

(Streptomyces
albus) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 THR A4530
GLY A4535
GLY A4448
PHE A4447
GLY A4451
 None
 1.09A 4kqiA-4opeA:
undetectable		 4kqiA-4opeA:
22.54
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.
4p8e 3,4-DIHYDROXY-2-BUTA
NONE 4-PHOSPHATE
SYNTHASE

(Vibrio cholerae) 		PF00926
(DHBP_synthase) 		5 GLY A 171
GLY A  27
LEU A  24
SER A  50
GLY A  29
 None
 0.90A 4kqiA-4p8eA:
undetectable		 4kqiA-4p8eA:
23.69
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.
4ry1 PERIPLASMIC SOLUTE
BINDING PROTEIN

(Pectobacterium
atrosepticum) 		PF13416
(SBP_bac_8) 		5 THR A 154
GLY A 269
GLY A 181
PHE A 176
LEU A 180
 None
 1.20A 4kqiA-4ry1A:
undetectable		 4kqiA-4ry1A:
23.18
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.
4u4e THIOLASE

(Sphaerobacter
thermophilus) 		PF02803
(Thiolase_C) 		5 THR A 328
GLY A  20
GLY A 212
SER A  16
GLY A 107
 None
 1.17A 4kqiA-4u4eA:
undetectable		 4kqiA-4u4eA:
23.46
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.
4utg SUGAR KINASE

(Burkholderia
pseudomallei) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 THR A 207
GLY A 115
PHE A 305
SER A 298
GLY A 301
 None
ANP  A 399 ( 3.0A)
None
None
None
 1.32A 4kqiA-4utgA:
undetectable		 4kqiA-4utgA:
24.12
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.
4w8y CRISPR SYSTEM CMR
SUBUNIT CMR2

(Pyrococcus
furiosus) 		PF12469
(DUF3692) 		5 GLY A 856
PHE A 860
LEU A 857
SER A 761
ARG A 846
 None
 1.26A 4kqiA-4w8yA:
undetectable		 4kqiA-4w8yA:
17.75
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.
4ydq PROLINE--TRNA LIGASE

(Plasmodium
falciparum) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		5 THR A 359
GLY A 410
SER A 508
GLU A 361
GLY A 510
 HFG  A 802 (-3.2A)
None
HFG  A 802 ( 3.8A)
HFG  A 802 (-2.9A)
HFG  A 802 (-3.7A)
 1.09A 4kqiA-4ydqA:
undetectable		 4kqiA-4ydqA:
19.49
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.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 THR A 864
GLY A 869
GLY A 782
PHE A 781
GLY A 785
 None
 1.16A 4kqiA-4zdnA:
undetectable		 4kqiA-4zdnA:
20.34
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.
5c92 KELCH
DOMAIN-CONTAINING
PROTEIN

(Colletotrichum
graminicola) 		PF01344
(Kelch_1)
PF09118
(DUF1929) 		5 GLY A 296
GLY A 242
SER A 250
ARG A 278
GLY A 224
 None
 1.19A 4kqiA-5c92A:
undetectable		 4kqiA-5c92A:
20.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cyf PUTATIVE URIDINE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 THR A 193
GLY A 235
GLY A 190
SER A 138
GLU A 232
 None
 1.00A 4kqiA-5cyfA:
undetectable		 4kqiA-5cyfA:
22.02
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.
5e25 BRANCHED-CHAIN
AMINOTRANSFERASE

(Geoglobus
acetivorans) 		PF01063
(Aminotran_4) 		5 GLY A  99
PHE A  23
LEU A  28
SER A  21
GLY A  26
 None
 1.25A 4kqiA-5e25A:
undetectable		 4kqiA-5e25A:
20.21
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.
5erb POLYKETIDE SYNTHASE

(Bacillus
amyloliquefaciens) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 THR A 320
GLY A 325
GLY A 238
PHE A 237
GLY A 241
 None
 0.87A 4kqiA-5erbA:
undetectable		 4kqiA-5erbA:
20.90
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.
5f5r HEAT SHOCK PROTEIN
75 KDA,
MITOCHONDRIAL

(Homo sapiens) 		PF13589
(HATPase_c_3) 		5 THR A  94
GLY A 173
GLY A 235
LEU A  98
SER A 233
 None
 0.95A 4kqiA-5f5rA:
undetectable		 4kqiA-5f5rA:
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.
5fq6 SUSC/RAGA FAMILY
TONB-LINKED OUTER
MEMBRANE PROTEIN

(Bacteroides
thetaiotaomicron) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 THR B 846
GLY B 215
PHE B 198
ARG B 339
GLY B 212
 None
 1.20A 4kqiA-5fq6B:
undetectable		 4kqiA-5fq6B:
16.30
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.
5g0a TRANSAMINASE

(Bacillus
megaterium) 		PF00202
(Aminotran_3) 		5 THR A 273
GLY A 283
GLY A 385
LEU A 387
GLY A 383
 None
 1.15A 4kqiA-5g0aA:
undetectable		 4kqiA-5g0aA:
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.
5i6g ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 GLY A2064
LEU A2066
GLU A2067
ARG A1995
GLY A2038
 None
 1.21A 4kqiA-5i6gA:
3.1		 4kqiA-5i6gA:
16.18
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.
5i6i ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN,ACETYL-COA
CARBOXYLASE-LIKE
PROTEIN

(Chaetomium
thermophilum) 		PF01039
(Carboxyl_trans)
PF08326
(ACC_central) 		5 GLY A2064
LEU A2066
GLU A2067
ARG A1995
GLY A2038
 None
 1.25A 4kqiA-5i6iA:
2.9		 4kqiA-5i6iA:
10.21
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.
5jnq PHOSPHO-N-ACETYLMURA
MOYL-PENTAPEPTIDE-TR
ANSFERASE

([Clostridium]
bolteae) 		PF00953
(Glycos_transf_4)
PF10555
(MraY_sig1) 		5 GLY A 216
PHE A 217
LEU A 214
SER A  16
GLY A 212
 None
 1.03A 4kqiA-5jnqA:
undetectable		 4kqiA-5jnqA:
23.44
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.
5kdx METALLOPEPTIDASE

(Pseudomonas
aeruginosa) 		PF13402
(Peptidase_M60) 		5 GLY A 268
GLY A 134
LEU A 240
GLU A 131
GLY A 136
 None
 1.10A 4kqiA-5kdxA:
undetectable		 4kqiA-5kdxA:
17.52
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.
5ktl 4-HYDROXY-TETRAHYDRO
DIPICOLINATE
SYNTHASE

(Trichormus
variabilis) 		PF00701
(DHDPS) 		5 GLY A 162
GLY A   5
PHE A   4
LEU A   8
GLY A 204
 None
 1.04A 4kqiA-5ktlA:
undetectable		 4kqiA-5ktlA:
23.80
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.
5mp4 PROTOPLAST SECRETED
PROTEIN 2

(Saccharomyces
cerevisiae) 		PF03358
(FMN_red) 		5 THR A 123
GLY A 119
GLY A 163
SER A 160
GLY A 165
 None
 0.94A 4kqiA-5mp4A:
3.4		 4kqiA-5mp4A:
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.
5mqz PUTATIVE
BRANCHED-CHAIN-AMINO
-ACID
AMINOTRANSFERASE

(Archaeoglobus
fulgidus) 		no annotation 5 GLY A  97
PHE A  21
LEU A  26
SER A  19
GLY A  24
 None
 1.22A 4kqiA-5mqzA:
undetectable		 4kqiA-5mqzA:
12.38
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.
5tf0 GLYCOSYL HYDROLASE
FAMILY 3 N-TERMINAL
DOMAIN PROTEIN

(Bacteroides
intestinalis) 		PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like) 		5 GLY A 169
GLY A 176
LEU A 125
SER A 163
GLY A 174
 None
 1.22A 4kqiA-5tf0A:
undetectable		 4kqiA-5tf0A:
19.65
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.
5tg8 HEMAGGLUTININ HA1
CHAIN

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		5 GLY A 116
LEU A 260
SER A 265
GLU A 114
ARG A 113
 None
 1.04A 4kqiA-5tg8A:
undetectable		 4kqiA-5tg8A:
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.
5uqi PHOSPHOSUGAR
ISOMERASE

(Escherichia
coli) 		no annotation 5 THR A 109
GLY A  77
GLY A  86
LEU A  85
GLY A  83
 None
 1.19A 4kqiA-5uqiA:
undetectable		 4kqiA-5uqiA:
11.82
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.
5vk4 PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
CYCLO-LIGASE

(Neisseria
gonorrhoeae) 		PF00586
(AIRS)
PF02769
(AIRS_C) 		5 GLY A  82
GLY A  66
LEU A  69
SER A 189
GLY A  64
 None
 1.07A 4kqiA-5vk4A:
undetectable		 4kqiA-5vk4A:
24.56
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.
5vn2 3-OXOACYL-(ACYL-CARR
IER PROTEIN)
REDUCTASE

(Brucella
melitensis) 		PF13561
(adh_short_C2) 		5 THR A 117
GLY A 116
GLY A 164
PHE A 168
LEU A 165
 None
 1.22A 4kqiA-5vn2A:
2.4		 4kqiA-5vn2A:
25.34
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.
5xii PROLYL-TRNA
SYNTHETASE (PRORS)

(Toxoplasma
gondii) 		no annotation 5 THR A 439
GLY A 490
SER A 588
GLU A 441
GLY A 590
 86X  A1004 (-3.6A)
None
86X  A1004 (-3.6A)
86X  A1004 (-3.0A)
86X  A1004 ( 4.2A)
 1.05A 4kqiA-5xiiA:
undetectable		 4kqiA-5xiiA:
11.36
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.
5xio PROLINE-TRNA
SYNTHETASE CLASS II
AARS (YBAK RNA
BINDING DOMAIN PLUS
TRNA SYNTHETASE)

(Cryptosporidium
parvum) 		no annotation 5 THR A 331
GLY A 382
SER A 480
GLU A 333
GLY A 482
 HFG  A 801 (-3.4A)
None
HFG  A 801 ( 3.8A)
HFG  A 801 (-3.0A)
HFG  A 801 (-3.9A)
 1.03A 4kqiA-5xioA:
undetectable		 4kqiA-5xioA:
11.11
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.
5xip PROLYL-TRNA
SYNTHETASE, PUTATIVE

(Eimeria tenella) 		no annotation 5 THR A 359
GLY A 410
SER A 508
GLU A 361
GLY A 510
 HFG  A1003 (-3.9A)
None
HFG  A1003 ( 3.9A)
HFG  A1003 (-2.9A)
HFG  A1003 ( 3.9A)
 1.09A 4kqiA-5xipA:
undetectable		 4kqiA-5xipA:
11.11
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.
5xqo PCRGLX PROTEIN

(Penicillium
chrysogenum) 		no annotation 5 GLY A 766
PHE A 706
LEU A 708
SER A 705
GLY A 754
 None
 1.34A 4kqiA-5xqoA:
undetectable		 4kqiA-5xqoA:
9.32
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.
5ydg MULTIPLE ORGANELLAR
RNA EDITING FACTOR
2, CHLOROPLASTIC

(Arabidopsis
thaliana) 		no annotation 5 GLY A 172
GLY A 136
LEU A  88
SER A 130
GLY A 138
 None
 1.32A 4kqiA-5ydgA:
undetectable		 4kqiA-5ydgA:
11.83
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.
6apg DISD PROTEIN

(Sorangium
cellulosum) 		no annotation 5 GLY A 265
GLY A  88
PHE A   6
SER A  91
GLY A   8
 None
 1.34A 4kqiA-6apgA:
undetectable		 4kqiA-6apgA:
11.52
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
enterocolitica) 		no annotation 9 THR A 179
GLY A 201
GLY A 263
PHE A 264
LEU A 265
SER A 290
GLU A 292
ARG A 313
GLY A 315
 SO4  A 401 (-2.8A)
SO4  A 401 ( 3.7A)
None
None
None
None
None
None
None
 0.62A 4kqiA-6b5fA:
60.2		 4kqiA-6b5fA:
67.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6b5f NICOTINATE-NUCLEOTID
E--DIMETHYLBENZIMIDA
ZOLE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
enterocolitica) 		no annotation 5 THR A 179
GLY A 201
GLY A 315
LEU A 265
GLU A 292
 SO4  A 401 (-2.8A)
SO4  A 401 ( 3.7A)
None
None
None
 1.33A 4kqiA-6b5fA:
60.2		 4kqiA-6b5fA:
67.80
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1
DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC2

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A 706
PHE A 704
LEU A 705
ARG A 703
GLY B 764
 None
 1.30A 4kqiA-6f42A:
undetectable		 4kqiA-6f42A:
12.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6fwf NITRIC-OXIDE
REDUCTASE

(Neisseria
meningitidis) 		no annotation 5 GLY A  76
GLY A 409
GLU A 411
ARG A 332
GLY A  66
 CA  A1003 ( 3.8A)
None
CA  A1003 (-2.0A)
HEM  A1002 (-3.5A)
None
 1.34A 4kqiA-6fwfA:
undetectable		 4kqiA-6fwfA:
12.35
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.
6g2j NADH-UBIQUINONE
OXIDOREDUCTASE CHAIN
5

(Mus musculus) 		no annotation 5 THR L 221
GLY L 228
GLY L 311
SER L 307
GLY L 281
 None
3PE  L 701 (-3.9A)
None
None
None
 1.34A 4kqiA-6g2jL:
undetectable		 4kqiA-6g2jL:
10.14