SIMILAR PATTERNS OF AMINO ACIDS FOR 3KO0_A_TFPA201

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.
1e96 NEUTROPHIL CYTOSOL
FACTOR 2 (NCF-2) TPR
DOMAIN, RESIDUES
1-203

(Homo sapiens) 		PF07719
(TPR_2)
PF13181
(TPR_8) 		5 ILE B 177
CYH B  45
PHE B  29
PHE B 183
GLY B 113
 None
 1.37A 3ko0A-1e96B:
undetectable
3ko0C-1e96B:
undetectable		 3ko0A-1e96B:
17.77
3ko0C-1e96B:
17.77
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.
1gkp HYDANTOINASE

(Thermus sp.) 		PF01979
(Amidohydro_1) 		5 GLY A 440
ILE A 422
PHE A 363
GLY A  86
PHE A  55
 None
 1.37A 3ko0A-1gkpA:
undetectable
3ko0C-1gkpA:
undetectable		 3ko0A-1gkpA:
14.50
3ko0C-1gkpA:
14.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gq8 PECTINESTERASE

(Daucus carota) 		PF01095
(Pectinesterase) 		5 GLY A  44
ILE A  39
PHE A 126
PHE A 313
GLY A  65
 None
 1.40A 3ko0A-1gq8A:
undetectable
3ko0C-1gq8A:
undetectable		 3ko0A-1gq8A:
14.56
3ko0C-1gq8A:
14.56
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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		5 GLY A 384
ILE A 394
PHE A 331
PHE A 339
GLY A 338
 None
None
EMM  A1999 (-4.7A)
None
None
 1.45A 3ko0A-1gqrA:
1.4
3ko0C-1gqrA:
1.4		 3ko0A-1gqrA:
11.35
3ko0C-1gqrA:
11.35
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.
1gqr ACETYLCHOLINESTERASE

(Tetronarce
californica) 		PF00135
(COesterase) 		5 GLY A 437
PHE A 290
PHE A 330
GLY A 328
PHE A 331
 None
EMM  A1999 (-4.1A)
SAF  A1998 (-3.1A)
None
EMM  A1999 (-4.7A)
 1.47A 3ko0A-1gqrA:
1.4
3ko0C-1gqrA:
1.4		 3ko0A-1gqrA:
11.35
3ko0C-1gqrA:
11.35
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.
1h39 SQUALENE--HOPENE
CYCLASE

(Alicyclobacillus
acidocaldarius) 		PF13243
(SQHop_cyclase_C)
PF13249
(SQHop_cyclase_N) 		5 GLY A 608
PHE A 129
PHE A 605
GLY A 600
PHE A 601
 None
None
R03  A 800 (-3.6A)
None
R03  A 800 (-4.6A)
 1.45A 3ko0A-1h39A:
undetectable
3ko0C-1h39A:
undetectable		 3ko0A-1h39A:
9.28
3ko0C-1h39A:
9.28
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.
1hle HORSE LEUKOCYTE
ELASTASE INHIBITOR

(Equus caballus) 		PF00079
(Serpin) 		5 GLY A 307
ILE A 332
PHE A  96
PHE A  33
PHE A  82
 None
 1.41A 3ko0A-1hleA:
undetectable
3ko0C-1hleA:
undetectable		 3ko0A-1hleA:
13.98
3ko0C-1hleA:
13.98
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.
1jfd INORGANIC
PYROPHOSPHATASE

(Escherichia
coli) 		PF00719
(Pyrophosphatase) 		5 GLY A  82
ILE A  28
PHE A  50
PHE A 137
GLY A  56
 None
 1.11A 3ko0A-1jfdA:
undetectable
3ko0C-1jfdA:
undetectable		 3ko0A-1jfdA:
20.67
3ko0C-1jfdA:
20.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m6u NDT80 PROTEIN

(Saccharomyces
cerevisiae) 		PF05224
(NDT80_PhoG) 		5 ILE A 157
PHE A 273
PHE A 114
GLY A  98
PHE A  99
 None
None
None
SO4  A 400 (-3.1A)
None
 1.26A 3ko0A-1m6uA:
undetectable
3ko0C-1m6uA:
undetectable		 3ko0A-1m6uA:
16.09
3ko0C-1m6uA:
16.09
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.
1mnn NDT80 PROTEIN

(Saccharomyces
cerevisiae) 		PF05224
(NDT80_PhoG) 		5 ILE A 157
PHE A 273
PHE A 114
GLY A  98
PHE A  99
 None
 1.32A 3ko0A-1mnnA:
undetectable
3ko0C-1mnnA:
undetectable		 3ko0A-1mnnA:
14.95
3ko0C-1mnnA:
14.95
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.
1pvg DNA TOPOISOMERASE II

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 GLY A 139
ILE A  67
CYH A 149
PHE A 152
GLY A 143
 None
None
None
None
ANP  A 901 (-3.3A)
 1.17A 3ko0A-1pvgA:
0.0
3ko0C-1pvgA:
undetectable		 3ko0A-1pvgA:
12.17
3ko0C-1pvgA:
12.17
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.
1rcy RUSTICYANIN

(Acidithiobacillus
ferrooxidans) 		PF00127
(Copper-bind) 		5 GLY A  93
ILE A 105
PHE A  76
GLY A 150
PHE A  54
 None
 1.29A 3ko0A-1rcyA:
undetectable
3ko0C-1rcyA:
undetectable		 3ko0A-1rcyA:
20.78
3ko0C-1rcyA:
20.78
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.
1sa3 TYPE II RESTRICTION
ENZYME MSPI

(Moraxella sp.) 		PF09208
(Endonuc-MspI) 		5 GLY A 262
ILE A 136
PHE A 163
GLY A 240
PHE A 241
 None
 1.35A 3ko0A-1sa3A:
undetectable
3ko0C-1sa3A:
undetectable		 3ko0A-1sa3A:
16.03
3ko0C-1sa3A:
16.03
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.
1vgm 378AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		5 GLY A 318
ILE A 233
PHE A 315
GLY A 256
PHE A 257
 None
 1.35A 3ko0A-1vgmA:
0.4
3ko0C-1vgmA:
0.3		 3ko0A-1vgmA:
13.14
3ko0C-1vgmA:
13.14
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.
1vgm 378AA LONG
HYPOTHETICAL CITRATE
SYNTHASE

(Sulfurisphaera
tokodaii) 		PF00285
(Citrate_synt) 		5 GLY A 318
ILE A 292
PHE A 315
GLY A 256
PHE A 257
 None
 1.42A 3ko0A-1vgmA:
0.4
3ko0C-1vgmA:
0.3		 3ko0A-1vgmA:
13.14
3ko0C-1vgmA:
13.14
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.
1zxn DNA TOPOISOMERASE
II, ALPHA ISOZYME

(Homo sapiens) 		PF00204
(DNA_gyraseB)
PF02518
(HATPase_c) 		5 GLY A 160
ILE A  88
CYH A 170
PHE A 173
GLY A 164
 None
None
None
None
ADP  A 901 (-3.1A)
 1.15A 3ko0A-1zxnA:
undetectable
3ko0C-1zxnA:
undetectable		 3ko0A-1zxnA:
13.07
3ko0C-1zxnA:
13.07
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.
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophilus) 		PF00121
(TIM) 		5 GLY A 211
ILE A  91
CYH A  40
PHE A  21
GLY A 234
 PGA  A 301 (-3.5A)
None
None
None
PGA  A 301 (-3.8A)
 1.35A 3ko0A-2btmA:
undetectable
3ko0C-2btmA:
undetectable		 3ko0A-2btmA:
16.05
3ko0C-2btmA:
16.05
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.
2cf5 CINNAMYL ALCOHOL
DEHYDROGENASE

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  92
CYH A  47
PHE A 334
GLY A 134
PHE A 135
 None
ZN  A 402 (-2.4A)
None
None
None
 1.12A 3ko0A-2cf5A:
undetectable
3ko0C-2cf5A:
undetectable		 3ko0A-2cf5A:
13.47
3ko0C-2cf5A:
13.47
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.
2ejv L-THREONINE
3-DEHYDROGENASE

(Thermus
thermophilus) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  67
ILE A 146
PHE A 326
GLY A 120
PHE A 121
 None
 1.18A 3ko0A-2ejvA:
undetectable
3ko0C-2ejvA:
undetectable		 3ko0A-2ejvA:
13.37
3ko0C-2ejvA:
13.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gfi PHYTASE

(Debaryomyces
castellii) 		PF00328
(His_Phos_2) 		5 GLY A 347
ILE A 380
PHE A 445
PHE A 342
GLY A 309
 None
 1.48A 3ko0A-2gfiA:
undetectable
3ko0C-2gfiA:
undetectable		 3ko0A-2gfiA:
13.72
3ko0C-2gfiA:
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.
2inf UROPORPHYRINOGEN
DECARBOXYLASE

(Bacillus
subtilis) 		PF01208
(URO-D) 		5 GLY A 323
ILE A 142
PHE A 231
PHE A 207
GLY A 245
 None
 1.39A 3ko0A-2infA:
undetectable
3ko0C-2infA:
undetectable		 3ko0A-2infA:
14.66
3ko0C-2infA:
14.66
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.
2o5r GLUTAMYL-TRNA
SYNTHETASE 1

(Thermotoga
maritima) 		PF00749
(tRNA-synt_1c) 		5 ILE A 330
PHE A 378
PHE A 379
PHE A 371
PHE A 341
 None
 1.04A 3ko0A-2o5rA:
undetectable
3ko0C-2o5rA:
undetectable		 3ko0A-2o5rA:
12.33
3ko0C-2o5rA:
12.33
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.
2uyd HEMOPHORE HASA

(Serratia
marcescens) 		PF06438
(HasA) 		5 PHE X  94
PHE X 115
PHE X  11
GLY X  12
PHE X 166
 None
 1.29A 3ko0A-2uydX:
0.7
3ko0C-2uydX:
undetectable		 3ko0A-2uydX:
16.13
3ko0C-2uydX:
16.13
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.
2wnw ACTIVATED BY
TRANSCRIPTION FACTOR
SSRB

(Salmonella
enterica) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 GLY A 295
CYH A 374
PHE A 398
PHE A 328
PHE A 321
 None
 1.34A 3ko0A-2wnwA:
undetectable
3ko0C-2wnwA:
undetectable		 3ko0A-2wnwA:
12.09
3ko0C-2wnwA:
12.09
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1

(Homo sapiens) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 GLY A 153
ILE A 207
PHE A 203
GLY A 161
PHE A 182
 NAG  A1942 ( 4.4A)
None
None
None
None
 1.38A 3ko0A-2yd0A:
undetectable
3ko0C-2yd0A:
undetectable		 3ko0A-2yd0A:
9.55
3ko0C-2yd0A:
9.55
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.
2yq0 ORF 73

(Human
gammaherpesvirus
8) 		no annotation 5 GLY A1043
ILE A1024
CYH A1027
PHE A1077
GLY A1078
 None
 1.04A 3ko0A-2yq0A:
undetectable
3ko0C-2yq0A:
undetectable		 3ko0A-2yq0A:
16.88
3ko0C-2yq0A:
16.88
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.
2zkt 2,3-BISPHOSPHOGLYCER
ATE-INDEPENDENT
PHOSPHOGLYCERATE
MUTASE

(Pyrococcus
horikoshii) 		PF01676
(Metalloenzyme)
PF10143
(PhosphMutase) 		5 GLY A 367
ILE A 399
PHE A  68
PHE A 238
PHE A 296
 None
 1.46A 3ko0A-2zktA:
undetectable
3ko0C-2zktA:
undetectable		 3ko0A-2zktA:
12.71
3ko0C-2zktA:
12.71
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.
3a1i AMIDASE

(Rhodococcus sp.
N-771) 		PF01425
(Amidase) 		5 GLY A 482
ILE A 318
PHE A 325
PHE A 456
GLY A 460
 None
 1.23A 3ko0A-3a1iA:
undetectable
3ko0C-3a1iA:
undetectable		 3ko0A-3a1iA:
10.17
3ko0C-3a1iA:
10.17
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.
3aux DNA DOUBLE-STRAND
BREAK REPAIR RAD50
ATPASE

(Methanocaldococcus
jannaschii) 		PF13476
(AAA_23) 		5 GLY A  93
ILE A  84
PHE A  46
PHE A  47
PHE A  13
 None
 1.42A 3ko0A-3auxA:
undetectable
3ko0C-3auxA:
undetectable		 3ko0A-3auxA:
13.26
3ko0C-3auxA:
13.26
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.
3cj1 ECTONUCLEOSIDE
TRIPHOSPHATE
DIPHOSPHOHYDROLASE 2

(Rattus
norvegicus) 		PF01150
(GDA1_CD39) 		5 GLY A 203
ILE A 209
PHE A 420
PHE A 348
PHE A 425
 None
 1.43A 3ko0A-3cj1A:
0.8
3ko0C-3cj1A:
0.7		 3ko0A-3cj1A:
11.67
3ko0C-3cj1A:
11.67
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.
3dzv 4-METHYL-5-(BETA-HYD
ROXYETHYL)THIAZOLE
KINASE

(Enterococcus
faecalis) 		PF02110
(HK) 		5 GLY A 205
CYH A 232
PHE A 246
GLY A 199
PHE A 197
 None
 1.45A 3ko0A-3dzvA:
undetectable
3ko0C-3dzvA:
undetectable		 3ko0A-3dzvA:
18.29
3ko0C-3dzvA:
18.29
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.
3exh PYRUVATE
DEHYDROGENASE E1
COMPONENT SUBUNIT
BETA, MITOCHONDRIAL

(Homo sapiens) 		PF02779
(Transket_pyr)
PF02780
(Transketolase_C) 		5 GLY B  27
ILE B 112
PHE B  80
GLY B 116
PHE B  83
 None
 1.41A 3ko0A-3exhB:
undetectable
3ko0C-3exhB:
undetectable		 3ko0A-3exhB:
15.34
3ko0C-3exhB:
15.34
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.
3f41 PHYTASE

(Mitsuokella
multacida) 		PF14566
(PTPlike_phytase) 		5 GLY A 583
ILE A 575
MET A 561
PHE A 531
PHE A 546
 None
 1.44A 3ko0A-3f41A:
undetectable
3ko0C-3f41A:
undetectable		 3ko0A-3f41A:
10.39
3ko0C-3f41A:
10.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h4q PUTATIVE
ACETYLTRANSFERASE

(Staphylococcus
aureus) 		PF00583
(Acetyltransf_1) 		5 GLY A 140
ILE A  89
PHE A 126
PHE A 136
GLY A 134
 None
 1.35A 3ko0A-3h4qA:
undetectable
3ko0C-3h4qA:
undetectable		 3ko0A-3h4qA:
16.40
3ko0C-3h4qA:
16.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i4q APC40078

(Oleispira
antarctica) 		PF00719
(Pyrophosphatase) 		5 GLY A  83
ILE A  29
PHE A  51
PHE A 138
GLY A  57
 None
 1.11A 3ko0A-3i4qA:
undetectable
3ko0C-3i4qA:
undetectable		 3ko0A-3i4qA:
21.99
3ko0C-3i4qA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ju7 PUTATIVE
PLP-DEPENDENT
AMINOTRANSFERASE

(Bacillus cereus) 		PF01041
(DegT_DnrJ_EryC1) 		5 GLY A 166
ILE A 183
PHE A  87
PHE A 318
GLY A 139
 None
None
PEG  A 384 ( 4.2A)
None
None
 1.30A 3ko0A-3ju7A:
undetectable
3ko0C-3ju7A:
undetectable		 3ko0A-3ju7A:
16.29
3ko0C-3ju7A:
16.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3omn CYTOCHROME C
OXIDASE, AA3 TYPE,
SUBUNIT I

(Rhodobacter
sphaeroides) 		PF00115
(COX1) 		5 GLY A 103
ILE A 290
PHE A 430
PHE A 433
GLY A  41
 HEA  A   1 ( 3.8A)
HEA  A   2 ( 4.5A)
None
None
HEA  A   1 ( 4.1A)
 1.36A 3ko0A-3omnA:
undetectable
3ko0C-3omnA:
0.1		 3ko0A-3omnA:
11.48
3ko0C-3omnA:
11.48
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.
3r3j GLUTAMATE
DEHYDROGENASE

(Plasmodium
falciparum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 PHE A  91
PHE A 172
PHE A 497
GLY A 496
PHE A 176
 None
 1.34A 3ko0A-3r3jA:
1.3
3ko0C-3r3jA:
0.0		 3ko0A-3r3jA:
14.88
3ko0C-3r3jA:
14.88
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.
3v3k CASPASE-9

(Homo sapiens) 		PF00656
(Peptidase_C14) 		5 GLY A 225
ILE A 154
PHE A 400
GLY A 163
PHE A 198
 None
 1.30A 3ko0A-3v3kA:
undetectable
3ko0C-3v3kA:
undetectable		 3ko0A-3v3kA:
18.15
3ko0C-3v3kA:
18.15
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.
4dg8 PA1221

(Pseudomonas
aeruginosa) 		PF00501
(AMP-binding) 		5 ILE A 187
CYH A 191
PHE A 196
GLY A 308
PHE A 315
 None
None
None
BU3  A 702 (-4.6A)
None
 1.47A 3ko0A-4dg8A:
undetectable
3ko0C-4dg8A:
undetectable		 3ko0A-4dg8A:
9.40
3ko0C-4dg8A:
9.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fe9 OUTER MEMBRANE
PROTEIN SUSF

(Bacteroides
thetaiotaomicron) 		PF16411
(SusF_SusE)
PF17142
(DUF5115) 		5 GLY A 389
ILE A 484
PHE A 416
PHE A 477
PHE A 446
 None
None
None
EDO  A 511 ( 4.9A)
None
 1.49A 3ko0A-4fe9A:
undetectable
3ko0C-4fe9A:
undetectable		 3ko0A-4fe9A:
11.54
3ko0C-4fe9A:
11.54
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.
4gfh DNA TOPOISOMERASE 2

(Saccharomyces
cerevisiae) 		PF00204
(DNA_gyraseB)
PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF02518
(HATPase_c)
PF16898
(TOPRIM_C) 		5 GLY A 139
ILE A  67
CYH A 149
PHE A 152
GLY A 143
 None
None
None
None
ANP  A1202 (-3.1A)
 1.18A 3ko0A-4gfhA:
undetectable
3ko0C-4gfhA:
undetectable		 3ko0A-4gfhA:
5.97
3ko0C-4gfhA:
5.97
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.
4p8b TRAP-TYPE
TRANSPORTER,
PERIPLASMIC
COMPONENT

(Cupriavidus
necator) 		PF03480
(DctP) 		5 GLY A  46
ILE A 276
PHE A 136
PHE A 246
GLY A  96
 None
 0.94A 3ko0A-4p8bA:
undetectable
3ko0C-4p8bA:
undetectable		 3ko0A-4p8bA:
15.50
3ko0C-4p8bA:
15.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wz9 AGAP004809-PA

(Anopheles
gambiae) 		PF01433
(Peptidase_M1)
PF11838
(ERAP1_C) 		5 GLY A 169
ILE A 223
PHE A 219
GLY A 177
PHE A 198
 None
 1.47A 3ko0A-4wz9A:
undetectable
3ko0C-4wz9A:
undetectable		 3ko0A-4wz9A:
9.13
3ko0C-4wz9A:
9.13
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.
5aa5 NIFE-HYDROGENASE
LARGE SUBUNIT, HOFG
NIFE-HYDROGENASE
SMALL SUBUNIT, HOFK

(Cupriavidus
necator) 		PF00374
(NiFeSe_Hases)
PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 GLY A  31
PHE C  75
PHE A 300
GLY A 150
PHE A 293
 SF4  A 503 (-3.5A)
None
None
None
None
 1.22A 3ko0A-5aa5A:
undetectable
3ko0C-5aa5A:
undetectable		 3ko0A-5aa5A:
16.41
3ko0C-5aa5A:
16.41
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.
5jhe PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE
CYP7

(Saccharomyces
cerevisiae) 		PF00160
(Pro_isomerase)
PF00515
(TPR_1) 		5 GLY A  59
ILE A  21
CYH A  23
PHE A 161
GLY A  74
 None
 1.43A 3ko0A-5jheA:
undetectable
3ko0C-5jheA:
undetectable		 3ko0A-5jheA:
14.83
3ko0C-5jheA:
14.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kew VTRC PROTEIN

(Vibrio
parahaemolyticus) 		no annotation 5 ILE B  58
PHE B 148
PHE B 149
GLY B  85
PHE B 101
 None
 1.38A 3ko0A-5kewB:
undetectable
3ko0C-5kewB:
undetectable		 3ko0A-5kewB:
22.22
3ko0C-5kewB:
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.
5kia L-THREONINE
3-DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		5 GLY A  62
ILE A  30
PHE A 133
PHE A 292
GLY A  89
 None
 1.33A 3ko0A-5kiaA:
undetectable
3ko0C-5kiaA:
undetectable		 3ko0A-5kiaA:
14.87
3ko0C-5kiaA:
14.87
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.
5lnk MITOCHONDRIAL
COMPLEX I, ND5
SUBUNIT

(Ovis aries) 		PF00361
(Proton_antipo_M)
PF00662
(Proton_antipo_N)
PF06455
(NADH5_C) 		5 ILE L  62
MET L  82
PHE L  85
GLY L  58
PHE L  54
 None
 1.01A 3ko0A-5lnkL:
undetectable
3ko0C-5lnkL:
undetectable		 3ko0A-5lnkL:
11.50
3ko0C-5lnkL:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5m8j DIVALENT METAL
CATION TRANSPORTER
MNTH

(Eremococcus
coleocola) 		PF01566
(Nramp) 		5 ILE A 502
PHE A 239
PHE A 114
GLY A 111
PHE A 358
 None
 1.16A 3ko0A-5m8jA:
undetectable
3ko0C-5m8jA:
0.0		 3ko0A-5m8jA:
11.13
3ko0C-5m8jA:
11.13
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.
5np9 TRNA
THREONYLCARBAMOYLADE
NOSINE BIOSYNTHESIS
PROTEIN TSAE

(Bacillus
subtilis) 		no annotation 5 GLY A  53
PHE A 136
PHE A  48
GLY A  47
PHE A  44
 None
 1.43A 3ko0A-5np9A:
undetectable
3ko0C-5np9A:
undetectable		 3ko0A-5np9A:
19.79
3ko0C-5np9A:
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 5 GLY B 298
PHE B 317
PHE B 314
PHE B 301
PHE B 332
 None
 1.43A 3ko0A-5swiB:
undetectable
3ko0C-5swiB:
undetectable		 3ko0A-5swiB:
10.84
3ko0C-5swiB:
10.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN

(Bifidobacterium
longum) 		no annotation 5 GLY A 115
ILE A  98
PHE A 234
PHE A 164
GLY A 165
 None
 1.40A 3ko0A-5z9sA:
0.3
3ko0C-5z9sA:
0.5		 3ko0A-5z9sA:
17.48
3ko0C-5z9sA:
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.
6bzc GLUCOSE-6-PHOSPHATE
ISOMERASE

(Elizabethkingia
anophelis) 		no annotation 5 GLY A 372
ILE A 334
PHE A 487
PHE A  51
GLY A 320
 None
 1.26A 3ko0A-6bzcA:
0.5
3ko0C-6bzcA:
0.5		 3ko0A-6bzcA:
27.08
3ko0C-6bzcA:
27.08
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.
6cg6 CADHERIN-10

(Mus musculus) 		no annotation 5 ILE A  96
PHE A   7
PHE A  92
PHE A  48
GLY A  43
 None
 1.36A 3ko0A-6cg6A:
undetectable
3ko0C-6cg6A:
undetectable		 3ko0A-6cg6A:
20.79
3ko0C-6cg6A:
20.79
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.
6cgu CADHERIN-6

(Mus musculus) 		no annotation 5 ILE A  96
PHE A   7
PHE A  92
PHE A  48
GLY A  43
 ILE  A  96 ( 0.7A)
PHE  A   7 ( 1.3A)
PHE  A  92 ( 1.3A)
PHE  A  48 ( 1.3A)
GLY  A  43 ( 0.0A)
 1.42A 3ko0A-6cguA:
undetectable
3ko0C-6cguA:
undetectable		 3ko0A-6cguA:
18.00
3ko0C-6cguA:
18.00
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.
6d0n CLC-TYPE
FLUORIDE/PROTON
ANTIPORTER

(Enterococcus
casseliflavus) 		no annotation 5 GLY A 153
ILE A  93
PHE A 100
PHE A  68
GLY A 119
 None
 1.25A 3ko0A-6d0nA:
0.3
3ko0C-6d0nA:
undetectable		 3ko0A-6d0nA:
24.24
3ko0C-6d0nA:
24.24
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.
6d95 -

(-) 		no annotation 5 GLY A 403
ILE A 501
PHE A 379
PHE A 398
GLY A 397
 None
 1.43A 3ko0A-6d95A:
undetectable
3ko0C-6d95A:
undetectable		 3ko0A-6d95A:
undetectable
3ko0C-6d95A:
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.
6f0k FE-S-CLUSTER-CONTAIN
ING HYDROGENASE

(Rhodothermus
marinus) 		no annotation 5 GLY B 298
ILE B 842
CYH B 813
GLY B 257
PHE B 263
 None
SF4  B1104 (-4.6A)
SF4  B1104 (-2.2A)
None
None
 1.17A 3ko0A-6f0kB:
undetectable
3ko0C-6f0kB:
undetectable		 3ko0A-6f0kB:
20.79
3ko0C-6f0kB:
20.79