SIMILAR PATTERNS OF AMINO ACIDS FOR 3GWU_A_SREA801

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.
1btc BETA-AMYLASE

(Glycine max) 		PF01373
(Glyco_hydro_14) 		5 LEU A 474
LEU A 473
ALA A 329
ASP A 323
THR A 480
 None
 1.31A 3gwuA-1btcA:
0.0		 3gwuA-1btcA:
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.
1bxc XYLOSE ISOMERASE

(Thermus
caldophilus) 		PF01261
(AP_endonuc_2) 		5 LEU A 371
LEU A 374
GLN A 376
ALA A 378
LEU A 269
 None
 1.32A 3gwuA-1bxcA:
0.4		 3gwuA-1bxcA:
23.66
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.
1ci9 PROTEIN
(CARBOXYLESTERASE)

(Burkholderia
gladioli) 		PF00144
(Beta-lactamase) 		5 LEU A 327
GLN A 310
PHE A 324
LEU A 188
THR A 128
 None
 1.29A 3gwuA-1ci9A:
0.0		 3gwuA-1ci9A:
20.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ej6 LAMBDA1

(Reovirus sp.) 		no annotation 5 LEU B 255
ARG B 254
PHE B 316
LEU B 979
ASP B 978
 None
 1.36A 3gwuA-1ej6B:
0.0		 3gwuA-1ej6B:
17.07
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.
1foe T-LYMPHOMA INVASION
AND METASTASIS
INDUCING PROTEIN 1

(Mus musculus) 		PF00169
(PH)
PF00621
(RhoGEF) 		5 LEU A1182
LEU A1156
TYR A1066
ALA A1159
ASP A1170
 None
 1.35A 3gwuA-1foeA:
1.4		 3gwuA-1foeA:
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.
1g8k ARSENITE OXIDASE

(Alcaligenes
faecalis) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding) 		5 TYR A 143
PHE A 161
ALA A 186
PHE A 590
LEU A 151
 None
 1.29A 3gwuA-1g8kA:
undetectable		 3gwuA-1g8kA:
20.81
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.
1i2w BETA-LACTAMASE

(Bacillus
licheniformis) 		PF13354
(Beta-lactamase2) 		5 LEU A 199
ALA A 192
PHE A 193
LEU A 152
ASP A 157
 None
 1.23A 3gwuA-1i2wA:
0.0		 3gwuA-1i2wA:
21.51
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.
1k8g TELOMERE-BINDING
PROTEIN ALPHA
SUBUNIT

(Sterkiella nova) 		PF02765
(POT1) 		5 LEU A 129
LEU A  46
ALA A  44
LEU A  83
ASP A  80
 None
 1.08A 3gwuA-1k8gA:
undetectable		 3gwuA-1k8gA:
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.
1l1l RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE

(Lactobacillus
leichmannii) 		PF02867
(Ribonuc_red_lgC) 		5 LEU A 184
LEU A 250
GLN A 211
LEU A 220
ASP A 253
 None
 1.35A 3gwuA-1l1lA:
0.0		 3gwuA-1l1lA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m0v PROTEIN-TYROSINE
PHOSPHATASE YOPH

(Yersinia
pseudotuberculosis) 		PF09013
(YopH_N) 		5 LEU A  15
LEU A 110
ALA A 113
PHE A  55
LEU A   8
 None
 1.30A 3gwuA-1m0vA:
undetectable		 3gwuA-1m0vA:
11.99
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.
1pd2 HEMATOPOIETIC
PROSTAGLANDIN D
SYNTHASE

(Rattus
norvegicus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 LEU 1 174
LEU 1 177
ARG 1 178
GLN 1 182
LEU 1  95
 None
 1.30A 3gwuA-1pd21:
undetectable		 3gwuA-1pd21:
17.53
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.
1rtw TRANSCRIPTIONAL
ACTIVATOR, PUTATIVE

(Pyrococcus
furiosus) 		PF03070
(TENA_THI-4) 		5 LEU A 125
LEU A  57
ALA A  61
PHE A 118
ASP A  64
 None
 1.31A 3gwuA-1rtwA:
undetectable		 3gwuA-1rtwA:
18.82
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.
1s5j DNA POLYMERASE I

(Sulfolobus
solfataricus) 		PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1) 		5 LEU A  53
LEU A  69
ALA A  79
ASP A  59
ASP A  57
 None
 1.14A 3gwuA-1s5jA:
undetectable		 3gwuA-1s5jA:
21.28
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.
1wa5 IMPORTIN ALPHA
SUBUNIT

(Saccharomyces
cerevisiae) 		PF00514
(Arm)
PF01749
(IBB)
PF16186
(Arm_3) 		5 LEU B 242
LEU B 239
ALA B 235
LEU B 182
THR B 156
 None
 1.19A 3gwuA-1wa5B:
undetectable		 3gwuA-1wa5B:
20.53
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.
1xip NUCLEOPORIN NUP159

(Saccharomyces
cerevisiae) 		PF16755
(NUP214) 		5 LEU A 368
LEU A  42
PHE A  51
LEU A  78
THR A  72
 None
 1.31A 3gwuA-1xipA:
undetectable		 3gwuA-1xipA:
18.87
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.
1xvx YFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		5 LEU A 284
LEU A 287
GLN A 222
TYR A  91
ALA A 226
 None
 1.27A 3gwuA-1xvxA:
undetectable		 3gwuA-1xvxA:
20.04
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.
1xvy SFUA

(Yersinia
enterocolitica) 		PF13343
(SBP_bac_6) 		5 LEU A 281
LEU A 284
GLN A 219
TYR A  88
ALA A 223
 None
 1.29A 3gwuA-1xvyA:
undetectable		 3gwuA-1xvyA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yse DNA-BINDING PROTEIN
SATB1

(Homo sapiens) 		PF02376
(CUT) 		5 LEU A 405
TYR A 376
ALA A 397
PHE A 393
LEU A 433
 None
 1.13A 3gwuA-1yseA:
undetectable		 3gwuA-1yseA:
12.90
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.
1zn6 PHAGE-RELATED
CONSERVED
HYPOTHETICAL PROTEIN

(Bordetella
bronchiseptica) 		PF02586
(SRAP) 		5 LEU A 213
ALA A 215
PHE A 128
ASP A 117
ASP A 171
 None
 1.17A 3gwuA-1zn6A:
undetectable		 3gwuA-1zn6A:
16.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bra NEDD9 INTERACTING
PROTEIN WITH
CALPONIN HOMOLOGY
AND LIM DOMAINS

(Mus musculus) 		PF01494
(FAD_binding_3) 		5 LEU A 103
LEU A 106
ALA A 424
LEU A 387
ASP A 212
 None
 1.23A 3gwuA-2braA:
undetectable		 3gwuA-2braA:
22.26
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.
2fhp METHYLASE, PUTATIVE

(Enterococcus
faecalis) 		PF03602
(Cons_hypoth95) 		5 LEU A  48
LEU A  46
TYR A  49
ALA A  56
THR A  24
 None
 1.24A 3gwuA-2fhpA:
undetectable		 3gwuA-2fhpA:
16.54
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.
2fq4 TRANSCRIPTIONAL
REGULATOR, TETR
FAMILY

(Bacillus cereus) 		PF00440
(TetR_N)
PF16859
(TetR_C_11) 		5 LEU A 166
ARG A 165
ALA A  92
ASP A 175
ASP A 174
 None
 1.22A 3gwuA-2fq4A:
undetectable		 3gwuA-2fq4A:
17.32
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.
2gsr CLASS PI GST
GLUTATHIONE
S-TRANSFERASE

(Sus scrofa) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		5 LEU A 153
LEU A 156
ARG A 158
TYR A 177
LEU A 168
 None
 1.08A 3gwuA-2gsrA:
undetectable		 3gwuA-2gsrA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ilx 2',3'-CYCLIC-NUCLEOT
IDE
3'-PHOSPHODIESTERASE

(Rattus
norvegicus) 		PF05881
(CNPase) 		5 LEU A  70
LEU A  22
ARG A  23
ALA A  25
LEU A  30
 None
 1.22A 3gwuA-2ilxA:
undetectable		 3gwuA-2ilxA:
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.
2j0u ATP-DEPENDENT RNA
HELICASE DDX48

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C) 		5 LEU A 184
LEU A 110
ALA A 161
ASP A 187
THR A  89
 None
 1.29A 3gwuA-2j0uA:
undetectable		 3gwuA-2j0uA:
20.72
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.
2krt CONSERVED
HYPOTHETICAL
MEMBRANE LIPOPROTEIN

(Ureaplasma
parvum) 		PF04200
(Lipoprotein_17) 		5 LEU A  18
LEU A  86
TYR A  34
PHE A  68
LEU A  26
 None
 1.35A 3gwuA-2krtA:
undetectable		 3gwuA-2krtA:
12.72
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.
2mab ACINIFORM SPIDROIN

(Nephila
antipodiana) 		PF11260
(Spidroin_MaSp) 		5 LEU A  51
LEU A 108
ARG A  48
GLN A 106
LEU A  25
 None
 1.21A 3gwuA-2mabA:
undetectable		 3gwuA-2mabA:
11.66
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.
2o49 DNA-BINDING PROTEIN
SATB1

(Homo sapiens) 		PF02376
(CUT) 		5 LEU A 405
TYR A 376
ALA A 397
PHE A 393
LEU A 433
 None
 1.19A 3gwuA-2o49A:
undetectable		 3gwuA-2o49A:
11.00
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.
2px7 2-C-METHYL-D-ERYTHRI
TOL 4-PHOSPHATE
CYTIDYLYLTRANSFERASE

(Thermus
thermophilus) 		PF01128
(IspD) 		5 LEU A  36
LEU A  32
ALA A   9
LEU A  77
THR A 146
 None
 1.15A 3gwuA-2px7A:
undetectable		 3gwuA-2px7A:
20.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qt3 N-ISOPROPYLAMMELIDE
ISOPROPYL
AMIDOHYDROLASE

(Pseudomonas sp.
ADP) 		PF01979
(Amidohydro_1) 		5 LEU A 298
LEU A 292
ALA A 294
LEU A 261
ASP A 262
 None
 1.32A 3gwuA-2qt3A:
undetectable		 3gwuA-2qt3A:
20.26
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.
2rfb CYTOCHROME P450

(Picrophilus
torridus) 		PF00067
(p450) 		5 LEU A 295
ARG A 236
TYR A  27
PHE A 280
LEU A  12
 None
 1.18A 3gwuA-2rfbA:
1.5		 3gwuA-2rfbA:
20.61
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.
2vhd CYTOCHROME C551
PEROXIDASE

(Pseudomonas
aeruginosa) 		PF00034
(Cytochrom_C)
PF03150
(CCP_MauG) 		5 LEU A 299
LEU A 296
ALA A 294
LEU A 181
ASP A 182
 None
 1.19A 3gwuA-2vhdA:
undetectable		 3gwuA-2vhdA:
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.
2xax RIBONUCLEOSIDE-DIPHO
SPHATE REDUCTASE 1
SUBUNIT ALPHA

(Escherichia
coli) 		PF00317
(Ribonuc_red_lgN)
PF02867
(Ribonuc_red_lgC)
PF03477
(ATP-cone) 		5 LEU A 481
LEU A 484
ALA A 488
PHE A 196
LEU A 207
 None
 1.16A 3gwuA-2xaxA:
undetectable		 3gwuA-2xaxA:
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.
2xhe UNC18

(Monosiga
brevicollis) 		PF00995
(Sec1) 		5 LEU A 422
LEU A 425
TYR A 440
ALA A 429
LEU A 404
 None
 1.26A 3gwuA-2xheA:
undetectable		 3gwuA-2xheA:
22.38
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.
2zet RAS-RELATED PROTEIN
RAB-27B

(Mus musculus) 		PF00071
(Ras) 		5 LEU A  96
LEU A  12
ALA A  92
LEU A 117
THR A  85
 None
 1.34A 3gwuA-2zetA:
undetectable		 3gwuA-2zetA:
16.90
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.
3b33 SENSOR PROTEIN

(Vibrio
parahaemolyticus) 		PF00989
(PAS) 		5 LEU A  49
LEU A  52
GLN A  54
PHE A  37
LEU A  89
 None
 1.34A 3gwuA-3b33A:
undetectable		 3gwuA-3b33A:
15.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bfm BIOTIN PROTEIN
LIGASE-LIKE PROTEIN
OF UNKNOWN FUNCTION

(Ruegeria sp.
TM1040) 		PF14563
(DUF4444)
PF16917
(BPL_LplA_LipB_2) 		5 LEU A 126
LEU A 106
ALA A  95
ASP A 141
THR A 139
 None
 1.26A 3gwuA-3bfmA:
undetectable		 3gwuA-3bfmA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cbu PROBABLE GST-RELATED
PROTEIN

(Cupriavidus
pinatubonensis) 		PF13410
(GST_C_2)
PF13417
(GST_N_3) 		5 LEU A 176
LEU A 179
ALA A 138
PHE A 134
THR A 187
 None
 1.26A 3gwuA-3cbuA:
undetectable		 3gwuA-3cbuA:
17.74
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.
3cl6 PUUE ALLANTOINASE

(Pseudomonas
fluorescens) 		PF01522
(Polysacc_deac_1) 		5 LEU A 272
LEU A 269
ARG A 268
PHE A 220
THR A 221
 None
 1.14A 3gwuA-3cl6A:
undetectable		 3gwuA-3cl6A:
21.54
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.
3clw CONSERVED EXPORTED
PROTEIN

(Bacteroides
fragilis) 		PF14587
(Glyco_hydr_30_2) 		5 LEU A 322
PHE A 262
ALA A 372
PHE A 331
ASP A 301
 None
 1.31A 3gwuA-3clwA:
undetectable		 3gwuA-3clwA:
21.53
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.
3dsq PYRROLYSYL-TRNA
SYNTHETASE

(Desulfitobacterium
hafniense) 		PF01409
(tRNA-synt_2d) 		5 LEU A 257
ARG A 259
ALA A 231
PHE A 255
LEU A 199
 None
 1.36A 3gwuA-3dsqA:
undetectable		 3gwuA-3dsqA:
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.
3g7r PUTATIVE
TRANSCRIPTIONAL
REGULATOR

(Streptomyces
coelicolor) 		PF00440
(TetR_N) 		5 LEU A 160
LEU A 163
ARG A 164
PHE A 137
ALA A 167
 None
None
EDO  A 960 (-3.7A)
EDO  A 960 (-3.7A)
None
 1.13A 3gwuA-3g7rA:
undetectable		 3gwuA-3g7rA:
17.79
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.
3gh8 IODOTYROSINE
DEHALOGENASE 1

(Mus musculus) 		PF00881
(Nitroreductase) 		5 LEU A 243
LEU A 246
ARG A 249
PHE A 191
THR A 132
 None
 1.33A 3gwuA-3gh8A:
undetectable		 3gwuA-3gh8A:
19.00
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.
3gyd CYCLIC
NUCLEOTIDE-BINDING
DOMAIN

(Methylobacillus
flagellatus) 		PF00027
(cNMP_binding) 		5 LEU A 129
LEU A 130
TYR A  42
ASP A  62
ASP A 124
 None
 1.32A 3gwuA-3gydA:
undetectable		 3gwuA-3gydA:
16.47
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.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		5 LEU A 108
LEU A 142
ASP A 139
ASP A 135
THR A 130
 None
 1.04A 3gwuA-3i58A:
undetectable		 3gwuA-3i58A:
23.91
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.
3i58 O-METHYLTRANSFERASE

(Streptomyces
carzinostaticus) 		PF00891
(Methyltransf_2) 		5 LEU A 108
LEU A 142
ASP A 139
ASP A 135
THR A 130
 None
 1.15A 3gwuA-3i58A:
undetectable		 3gwuA-3i58A:
23.91
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.
3iz3 VIRAL STRUCTURAL
PROTEIN 5

(Cypovirus 1) 		no annotation 5 LEU D  35
LEU D  32
GLN D  30
LEU D 189
ASP D 192
 None
 1.28A 3gwuA-3iz3D:
undetectable		 3gwuA-3iz3D:
21.40
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.
3j0a TOLL-LIKE RECEPTOR 5

(Homo sapiens) 		PF01582
(TIR)
PF13855
(LRR_8) 		5 LEU A 504
LEU A 507
ALA A 488
LEU A 517
THR A 539
 None
 1.20A 3gwuA-3j0aA:
undetectable		 3gwuA-3j0aA:
20.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3mml ALLOPHANATE
HYDROLASE SUBUNIT 2

(Mycolicibacterium
smegmatis) 		PF02626
(CT_A_B) 		5 LEU A   8
ALA A  14
PHE A  63
LEU A 151
ASP A 149
 None
 1.31A 3gwuA-3mmlA:
undetectable		 3gwuA-3mmlA:
20.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3mpn TRANSPORTER

(Aquifex
aeolicus) 		PF00209
(SNF) 		12 LEU A  25
LEU A  29
ARG A  30
GLN A  34
TYR A 108
PHE A 253
ALA A 319
PHE A 320
LEU A 400
ASP A 401
ASP A 404
THR A 409
 LEU  A 601 (-4.9A)
None
None
None
LEU  A 601 (-4.5A)
LEU  A 601 (-4.2A)
None
None
None
None
None
None
 0.27A 3gwuA-3mpnA:
68.1		 3gwuA-3mpnA:
99.80
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.
3now UNC-45 PROTEIN,
SD10334P

(Drosophila
melanogaster) 		PF11701
(UNC45-central) 		5 LEU A 787
LEU A 784
GLN A 782
ALA A 780
LEU A 726
 None
 1.18A 3gwuA-3nowA:
undetectable		 3gwuA-3nowA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pmk NUCLEOCAPSID PROTEIN

(Recombinant
vesicular
stomatitis
Indiana virus
rVSV-G/GFP) 		PF00945
(Rhabdo_ncap) 		5 LEU A  73
LEU A  77
PHE A 105
LEU A  40
THR A  45
 None
 1.27A 3gwuA-3pmkA:
undetectable		 3gwuA-3pmkA:
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.
3r1j ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Mycobacterium
avium) 		PF02668
(TauD) 		5 LEU A 145
LEU A 149
ALA A 151
PHE A 208
THR A 131
 None
 1.07A 3gwuA-3r1jA:
undetectable		 3gwuA-3r1jA:
19.39
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.
3rd7 ACYL-COA
THIOESTERASE

(Mycobacterium
avium) 		PF13622
(4HBT_3) 		5 LEU A 242
LEU A 180
ARG A 181
PHE A 153
LEU A   5
 None
 1.34A 3gwuA-3rd7A:
undetectable		 3gwuA-3rd7A:
18.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3swt TAURINE CATABOLISM
DIOXYGENASE, TAUD

(Mycobacterium
marinum) 		PF02668
(TauD) 		5 LEU A 144
LEU A 148
ALA A 150
PHE A 210
THR A 130
 None
 1.11A 3gwuA-3swtA:
undetectable		 3gwuA-3swtA:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wwe OXIDIZED POLYVINYL
ALCOHOL HYDROLASE

(Pseudomonas sp.
VM15C) 		no annotation 5 LEU A 313
LEU A 316
TYR A  90
ALA A 190
ASP A 162
 None
 1.03A 3gwuA-3wweA:
undetectable		 3gwuA-3wweA:
19.58
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.
3zyv AOX3

(Mus musculus) 		PF00111
(Fer2)
PF00941
(FAD_binding_5)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
PF03450
(CO_deh_flav_C) 		5 LEU A 890
PHE A1270
ALA A 886
LEU A 741
THR A1269
 None
 1.14A 3gwuA-3zyvA:
undetectable		 3gwuA-3zyvA:
17.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4blq P4

(Pseudomonas
phage phi8) 		PF11602
(NTPase_P4) 		5 LEU A 146
ARG A 144
ALA A 140
ASP A 171
THR A 117
 None
 1.29A 3gwuA-4blqA:
undetectable		 3gwuA-4blqA:
19.62
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.
4d72 GLYCOSIDE HYDROLASE

(Streptococcus
pneumoniae) 		PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C) 		5 LEU A 478
LEU A 439
LEU A 483
ASP A 482
THR A 523
 None
None
None
None
FUC  A2007 (-2.8A)
 1.35A 3gwuA-4d72A:
undetectable		 3gwuA-4d72A:
21.41
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.
4gkf CRISPR SYSTEM CMR
SUBUNIT CMR5

(Pyrococcus
furiosus) 		PF09701
(Cas_Cmr5) 		5 LEU A 107
LEU A  68
TYR A  45
ALA A  72
ASP A 100
 None
 1.20A 3gwuA-4gkfA:
undetectable		 3gwuA-4gkfA:
14.51
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.
4igl YENB
YENC2

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN)
no annotation 		5 LEU B  90
ALA A1096
PHE A1097
LEU A1089
ASP B  73
 None
 1.16A 3gwuA-4iglB:
undetectable		 3gwuA-4iglB:
20.26
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.
4iul EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2

(Homo sapiens) 		PF02854
(MIF4G) 		5 LEU A 116
LEU A 117
PHE A  78
LEU A 109
THR A 162
 None
 1.25A 3gwuA-4iulA:
undetectable		 3gwuA-4iulA:
20.45
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.
4ivn TRANSCRIPTIONAL
REGULATOR

(Vibrio
vulnificus) 		PF01380
(SIS)
PF01418
(HTH_6) 		5 LEU A  44
GLN A  37
TYR A  28
PHE A  70
LEU A  11
 None
 1.28A 3gwuA-4ivnA:
undetectable		 3gwuA-4ivnA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j5i ALPHA-KETOGLUTARATE-
DEPENDENT TAURINE
DIOXYGENASE

(Mycolicibacterium
smegmatis) 		PF02668
(TauD) 		5 LEU A 141
LEU A 145
ALA A 147
PHE A 203
THR A 127
 None
 1.13A 3gwuA-4j5iA:
undetectable		 3gwuA-4j5iA:
19.34
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.
4knw N-ACYLNEURAMINATE-9-
PHOSPHATASE

(Homo sapiens) 		PF13419
(HAD_2) 		5 LEU A 178
LEU A 179
GLN A 182
TYR A 174
PHE A  12
 None
 1.27A 3gwuA-4knwA:
undetectable		 3gwuA-4knwA:
19.69
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ksd R2 PROTEIN

(Lama glama) 		PF07686
(V-set) 		5 LEU B 100
LEU B 102
ARG B  99
TYR B 107
THR B  50
 None
 1.23A 3gwuA-4ksdB:
undetectable		 3gwuA-4ksdB:
10.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mlz PERIPLASMIC BINDING
PROTEIN

(Jonesia
denitrificans) 		PF01497
(Peripla_BP_2) 		5 LEU A  90
LEU A  94
PHE A 205
LEU A 145
ASP A 144
 None
None
None
None
K  A 405 (-3.8A)
 1.20A 3gwuA-4mlzA:
undetectable		 3gwuA-4mlzA:
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.
4mlz PERIPLASMIC BINDING
PROTEIN

(Jonesia
denitrificans) 		PF01497
(Peripla_BP_2) 		5 LEU A  90
LEU A  94
PHE A 205
LEU A 145
THR A 103
 None
 1.28A 3gwuA-4mlzA:
undetectable		 3gwuA-4mlzA:
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.
4mn8 LRR RECEPTOR-LIKE
SERINE/THREONINE-PRO
TEIN KINASE FLS2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13516
(LRR_6)
PF13855
(LRR_8) 		5 LEU A 223
LEU A 247
GLN A 268
LEU A 218
ASP A 220
 None
 1.24A 3gwuA-4mn8A:
undetectable		 3gwuA-4mn8A:
21.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n78 CYTOPLASMIC
FMR1-INTERACTING
PROTEIN 1

(Homo sapiens) 		PF05994
(FragX_IP)
PF07159
(DUF1394) 		5 LEU A 393
PHE A 608
PHE A 359
LEU A 461
THR A 611
 None
 1.29A 3gwuA-4n78A:
0.5		 3gwuA-4n78A:
17.65
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.
4qb7 UNCHARACTERIZED
PROTEIN

(Bacteroides
vulgatus) 		PF13149
(Mfa_like_1) 		5 GLN A 190
PHE A 282
PHE A 339
LEU A 334
ASP A 362
 None
 1.21A 3gwuA-4qb7A:
undetectable		 3gwuA-4qb7A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ru5 TAILSPIKE GP27

(Pseudomonas
phage phi297) 		no annotation 5 LEU A 610
LEU A 579
LEU A 620
ASP A 614
ASP A 613
 None
 1.25A 3gwuA-4ru5A:
undetectable		 3gwuA-4ru5A:
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.
4txk PROTEIN-METHIONINE
SULFOXIDE OXIDASE
MICAL1

(Mus musculus) 		PF00307
(CH)
PF01494
(FAD_binding_3) 		5 LEU A 103
LEU A 106
ALA A 424
LEU A 387
ASP A 212
 None
 1.25A 3gwuA-4txkA:
undetectable		 3gwuA-4txkA:
21.83
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4us4 TRANSPORTER

(Bacillus
halodurans) 		PF00209
(SNF) 		5 LEU A  29
TYR A 108
PHE A 230
ASP A 382
ASP A 385
 None
TRP  A 601 (-4.8A)
TRP  A 601 (-4.4A)
None
None
 0.61A 3gwuA-4us4A:
40.5		 3gwuA-4us4A:
33.08
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.
4z3k SEPIAPTERIN
REDUCTASE

(Homo sapiens) 		PF00106
(adh_short) 		5 LEU A  27
LEU A   2
GLN A  90
ALA A   5
LEU A  58
 None
 1.31A 3gwuA-4z3kA:
undetectable		 3gwuA-4z3kA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4z61 SOMATIC
EMBRYOGENESIS
RECEPTOR KINASE 2

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2) 		5 LEU C 180
LEU C 204
PHE C 198
LEU C 173
ASP C 174
 None
 1.33A 3gwuA-4z61C:
undetectable		 3gwuA-4z61C:
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.
4z64 SOMATIC
EMBRYOGENESIS
RECEPTOR KINASE 1

(Arabidopsis
thaliana) 		PF00560
(LRR_1)
PF08263
(LRRNT_2)
PF13855
(LRR_8) 		5 LEU C 177
LEU C 201
PHE C 195
LEU C 170
ASP C 171
 None
 1.34A 3gwuA-4z64C:
undetectable		 3gwuA-4z64C:
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.
4zn2 PSLG

(Pseudomonas
aeruginosa) 		PF00150
(Cellulase) 		5 LEU A 305
LEU A 302
GLN A 297
LEU A  71
THR A 320
 None
 1.29A 3gwuA-4zn2A:
undetectable		 3gwuA-4zn2A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5c3l NUCLEOPORIN NUP58
NUCLEOPORIN NUP62
NUP54

(Xenopus laevis) 		PF05064
(Nsp1_C)
PF13874
(Nup54)
PF15967
(Nucleoporin_FG2) 		5 LEU A 438
GLN A 446
TYR C 459
PHE B 387
LEU A 415
 None
 1.34A 3gwuA-5c3lA:
undetectable		 3gwuA-5c3lA:
20.69
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.
5dil NON-STRUCTURAL
PROTEIN 1

(Influenza B
virus) 		PF02942
(Flu_B_NS1) 		5 LEU A 209
LEU A 222
ALA A 224
PHE A 171
THR A 192
 None
 1.33A 3gwuA-5dilA:
undetectable		 3gwuA-5dilA:
15.47
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.
5dqs ELONGATION FACTOR
1-GAMMA

(Homo sapiens) 		PF00043
(GST_C)
PF02798
(GST_N) 		5 LEU A   6
GLN A  28
ALA A   2
ASP A  65
ASP A  64
 None
 1.00A 3gwuA-5dqsA:
undetectable		 3gwuA-5dqsA:
19.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ebb ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Homo sapiens) 		PF00149
(Metallophos) 		5 LEU A 139
GLN A 137
TYR A  85
PHE A  92
LEU A  46
 None
None
NAG  A 704 (-4.0A)
None
None
 1.29A 3gwuA-5ebbA:
undetectable		 3gwuA-5ebbA:
21.30
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.
5fca ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Mus musculus) 		PF00149
(Metallophos) 		5 LEU A 136
GLN A 134
TYR A  82
PHE A  89
LEU A  43
 None
None
NAG  A 508 (-2.7A)
None
None
 1.27A 3gwuA-5fcaA:
undetectable		 3gwuA-5fcaA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fca ACID
SPHINGOMYELINASE-LIK
E PHOSPHODIESTERASE
3A

(Mus musculus) 		PF00149
(Metallophos) 		5 LEU A 296
LEU A 385
GLN A 390
TYR A 403
THR A 394
 None
None
GOL  A 519 (-3.3A)
None
None
 1.00A 3gwuA-5fcaA:
undetectable		 3gwuA-5fcaA:
21.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fo5 HTH-TYPE
TRANSCRIPTIONAL
REGULATOR METR

(Escherichia
coli) 		PF00126
(HTH_1) 		5 LEU A  48
LEU A  65
GLN A  67
PHE A  58
ALA A  69
 None
 1.18A 3gwuA-5fo5A:
2.3		 3gwuA-5fo5A:
9.47
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.
5g5u BETA-HEXOSAMINIDASE

(Pseudomonas
aeruginosa) 		PF00933
(Glyco_hydro_3) 		5 LEU A 299
ARG A 301
ALA A 204
PHE A 242
LEU A 112
 None
 1.15A 3gwuA-5g5uA:
undetectable		 3gwuA-5g5uA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iki CYTOCHROME P450(MEG)

(Bacillus
megaterium) 		PF00067
(p450) 		5 LEU A 346
ARG A 286
TYR A  49
PHE A 329
LEU A  30
 None
 1.15A 3gwuA-5ikiA:
undetectable		 3gwuA-5ikiA:
20.16
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.
5isx GRAMICIDIN S
SYNTHASE 1

(Brevibacillus
brevis) 		PF00550
(PP-binding)
PF00668
(Condensation) 		6 LEU A1000
LEU A 977
GLN A 979
TYR A 648
ASP A 983
THR A 982
 None
PNS  A1200 (-4.8A)
None
None
None
None
 1.43A 3gwuA-5isxA:
undetectable		 3gwuA-5isxA:
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.
5n9j MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 10

(Schizosaccharomyces
pombe) 		PF09748
(Med10) 		5 LEU B  48
LEU B  28
PHE B  25
LEU B  55
ASP B  54
 None
 1.35A 3gwuA-5n9jB:
3.0		 3gwuA-5n9jB:
15.15
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.
5of4 TFIIH BASAL
TRANSCRIPTION FACTOR
COMPLEX HELICASE XPD
SUBUNIT

(Homo sapiens) 		PF06733
(DEAD_2)
PF06777
(HBB)
PF13307
(Helicase_C_2) 		5 LEU B 107
LEU B 105
ALA B 172
LEU B 183
ASP B 179
 None
 1.19A 3gwuA-5of4B:
0.9		 3gwuA-5of4B:
22.46
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.
5td7 ZGC:55652

(Danio rerio) 		PF00850
(Hist_deacetyl) 		5 LEU A 568
GLN A 533
PHE A 530
ASP A 541
THR A 539
 None
 1.30A 3gwuA-5td7A:
undetectable		 3gwuA-5td7A:
20.88
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.
5van BETA-KLOTHO

(Homo sapiens) 		no annotation 5 LEU A 178
LEU A 179
TYR A 174
PHE A 229
LEU A 158
 None
 1.15A 3gwuA-5vanA:
undetectable		 3gwuA-5vanA:
10.18
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.
5wvm MALTOSE-BINDING
PERIPLASMIC
PROTEIN,TWO-COMPONEN
T SYSTEM SENSOR
KINASE

(Escherichia
coli;
Serratia
marcescens) 		no annotation 5 LEU A 264
ALA A 266
PHE A  63
LEU A  22
THR A 288
 None
 1.31A 3gwuA-5wvmA:
undetectable		 3gwuA-5wvmA:
10.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wwt PUTATIVE
METHYLTRANSFERASE
NSUN6

(Homo sapiens) 		PF01189
(Methyltr_RsmB-F) 		5 LEU A 225
PHE A 458
LEU A 321
ASP A 240
ASP A 323
 None
C  C  72 ( 4.4A)
None
None
C  C  72 ( 2.8A)
 1.19A 3gwuA-5wwtA:
undetectable		 3gwuA-5wwtA:
23.06
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.
5xbl CRISPR-ASSOCIATED
ENDONUCLEASE
CAS9/CSN1

(Streptococcus
pyogenes) 		PF13395
(HNH_4)
PF16592
(Cas9_REC)
PF16593
(Cas9-BH)
PF16595
(Cas9_PI) 		5 LEU A 289
GLN A 285
ALA A 287
LEU A 275
ASP A 276
 None
 1.24A 3gwuA-5xblA:
undetectable		 3gwuA-5xblA:
15.72
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.
5y9d ACYL-COENZYME A
OXIDASE 1

(Yarrowia
lipolytica) 		no annotation 5 LEU A 307
LEU A 311
PHE A 627
LEU A 575
THR A  28
 None
 1.20A 3gwuA-5y9dA:
undetectable		 3gwuA-5y9dA:
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.
6a2f -

(-) 		no annotation 5 LEU A 179
LEU A 175
GLN A 173
LEU A 124
ASP A 125
 None
 1.28A 3gwuA-6a2fA:
undetectable		 3gwuA-6a2fA:
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.
6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)

(Escherichia
coli) 		no annotation 5 PHE A 409
PHE A 517
LEU A 368
ASP A 363
THR A 252
 None
None
None
None
ATP  A 601 (-4.4A)
 0.95A 3gwuA-6d5iA:
undetectable		 3gwuA-6d5iA:
10.29
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.
6dft -

(-) 		no annotation 5 LEU A 370
LEU A 101
ALA A 164
PHE A 102
LEU A 158
 None
NAD  A 502 (-4.6A)
None
None
None
 1.19A 3gwuA-6dftA:
undetectable		 3gwuA-6dftA:
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.
6eqn TRYPTOPHAN SYNTHASE
BETA CHAIN 2

(Sulfobacillus) 		no annotation 5 LEU B 371
LEU B 375
ALA B  84
LEU B 391
THR B 384
 None
None
None
None
PLP  B 501 ( 4.6A)
 1.14A 3gwuA-6eqnB:
undetectable		 3gwuA-6eqnB:
9.96