SIMILAR PATTERNS OF AMINO ACIDS FOR 6CDU_B_EY4B500_0

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.
1b8h DNA POLYMERASE
PROCESSIVITY
COMPONENT

(Escherichia
virus RB69) 		PF02916
(DNA_PPF)
PF09116
(gp45-slide_C) 		4 GLN A 213
VAL A 214
ALA A  40
THR A  31
 None
 0.84A 6cduB-1b8hA:
undetectable
6cduC-1b8hA:
undetectable		 6cduB-1b8hA:
21.39
6cduC-1b8hA:
21.39
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.
1ded CYCLODEXTRIN
GLUCANOTRANSFERASE

(Bacillus sp.
1011) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG)
PF02806
(Alpha-amylase_C) 		4 VAL A 132
PRO A  79
ALA A 125
THR A 124
 None
 1.04A 6cduB-1dedA:
0.0
6cduC-1dedA:
0.0		 6cduB-1dedA:
20.85
6cduC-1dedA:
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.
1hp1 5'-NUCLEOTIDASE

(Escherichia
coli) 		PF00149
(Metallophos)
PF02872
(5_nucleotid_C) 		4 VAL A 167
PRO A 209
ALA A 215
THR A 216
 None
 0.99A 6cduB-1hp1A:
0.0
6cduC-1hp1A:
0.0		 6cduB-1hp1A:
22.20
6cduC-1hp1A:
22.20
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.
1j6q CYTOCHROME C
MATURATION PROTEIN E

(Shewanella
putrefaciens) 		PF03100
(CcmE) 		4 GLN A  58
PRO A  54
ALA A 123
THR A  95
 None
 1.03A 6cduB-1j6qA:
undetectable
6cduC-1j6qA:
undetectable		 6cduB-1j6qA:
17.33
6cduC-1j6qA:
17.33
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.
1k8g TELOMERE-BINDING
PROTEIN ALPHA
SUBUNIT

(Sterkiella nova) 		PF02765
(POT1) 		4 VAL A 122
PRO A 111
ALA A 125
THR A 126
 None
 1.05A 6cduB-1k8gA:
0.0
6cduC-1k8gA:
0.0		 6cduB-1k8gA:
22.35
6cduC-1k8gA:
22.35
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.
1oy3 TRANSCRIPTION FACTOR
INHIBITOR
I-KAPPA-B-BETA

(Mus musculus) 		PF12796
(Ank_2)
PF13637
(Ank_4) 		4 GLN D  69
VAL D  66
ALA D  97
THR D  96
 None
 1.03A 6cduB-1oy3D:
undetectable
6cduC-1oy3D:
undetectable		 6cduB-1oy3D:
18.26
6cduC-1oy3D:
18.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1rw9 CHONDROITIN AC LYASE

(Paenarthrobacter
aurescens) 		PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N) 		4 VAL A  93
TRP A  86
ALA A  85
THR A  84
 None
 1.04A 6cduB-1rw9A:
2.5
6cduC-1rw9A:
3.5		 6cduB-1rw9A:
18.21
6cduC-1rw9A:
18.21
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.
1tt7 YHFP

(Bacillus
subtilis) 		PF00107
(ADH_zinc_N)
PF08240
(ADH_N) 		4 VAL A 168
PRO A 294
ALA A 159
THR A 160
 None
 0.84A 6cduB-1tt7A:
0.0
6cduC-1tt7A:
0.0		 6cduB-1tt7A:
23.81
6cduC-1tt7A:
23.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1uas ALPHA-GALACTOSIDASE

(Oryza sativa) 		PF16499
(Melibiase_2)
PF17450
(Melibiase_2_C) 		4 GLN A 271
VAL A 269
PRO A   9
ALA A 300
 GOL  A1607 (-4.1A)
None
None
None
 0.92A 6cduB-1uasA:
0.0
6cduC-1uasA:
0.0		 6cduB-1uasA:
20.32
6cduC-1uasA:
20.32
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.
1w8o BACTERIAL SIALIDASE

(Micromonospora
viridifaciens) 		PF00754
(F5_F8_type_C)
PF10633
(NPCBM_assoc)
PF13088
(BNR_2) 		4 GLN A 115
VAL A 117
ALA A 175
THR A 176
 None
 0.91A 6cduB-1w8oA:
3.1
6cduC-1w8oA:
0.0		 6cduB-1w8oA:
21.89
6cduC-1w8oA:
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.
2ayi AMINOPEPTIDASE T

(Thermus
thermophilus) 		PF02073
(Peptidase_M29) 		4 GLN A  26
VAL A  28
ALA A  30
THR A  31
 None
 1.00A 6cduB-2ayiA:
undetectable
6cduC-2ayiA:
undetectable		 6cduB-2ayiA:
22.01
6cduC-2ayiA:
22.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bas YKUI PROTEIN

(Bacillus
subtilis) 		PF00563
(EAL)
PF10388
(YkuI_C) 		4 GLN A 336
VAL A 326
ALA A 302
THR A 306
 None
 1.03A 6cduB-2basA:
undetectable
6cduC-2basA:
undetectable		 6cduB-2basA:
21.62
6cduC-2basA:
21.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2g0b FEEM

(uncultured
bacterium) 		no annotation 5 GLN A 183
VAL A 177
TRP A 180
ALA A 129
THR A 127
 None
 1.39A 6cduB-2g0bA:
undetectable
6cduC-2g0bA:
undetectable		 6cduB-2g0bA:
20.61
6cduC-2g0bA:
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.
2ht6 GTP-BINDING PROTEIN
GEM

(Homo sapiens) 		PF00071
(Ras) 		4 VAL A 236
PRO A 185
ALA A 125
THR A  74
 None
 0.96A 6cduB-2ht6A:
undetectable
6cduC-2ht6A:
undetectable		 6cduB-2ht6A:
20.85
6cduC-2ht6A:
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.
2ill TITIN

(Homo sapiens) 		PF07679
(I-set) 		4 GLN A  17
VAL A  67
ALA A  20
THR A  21
 None
 1.03A 6cduB-2illA:
undetectable
6cduC-2illA:
2.2		 6cduB-2illA:
19.51
6cduC-2illA:
19.51
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.
2ov6 V-TYPE ATP SYNTHASE
SUBUNIT F

(Methanosarcina
mazei) 		PF01990
(ATP-synt_F) 		4 VAL A  39
PRO A  72
ALA A  35
THR A  32
 None
 0.98A 6cduB-2ov6A:
undetectable
6cduC-2ov6A:
undetectable		 6cduB-2ov6A:
16.56
6cduC-2ov6A:
16.56
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.
2paj PUTATIVE
CYTOSINE/GUANINE
DEAMINASE

(unidentified) 		PF01979
(Amidohydro_1) 		4 VAL A 416
PRO A 434
ALA A  63
THR A  64
 None
 1.03A 6cduB-2pajA:
undetectable
6cduC-2pajA:
undetectable		 6cduB-2pajA:
19.88
6cduC-2pajA:
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.
2ph5 HOMOSPERMIDINE
SYNTHASE

(Legionella
pneumophila) 		PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C) 		4 GLN A 395
VAL A 396
ALA A 113
THR A 155
 None
NAD  A 501 (-4.1A)
NAD  A 501 (-3.4A)
None
 0.78A 6cduB-2ph5A:
undetectable
6cduC-2ph5A:
undetectable		 6cduB-2ph5A:
21.21
6cduC-2ph5A:
21.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wbe BIPOLAR KINESIN
KRP-130

(Drosophila
melanogaster) 		PF00225
(Kinesin) 		4 GLN C   9
VAL C  10
ALA C 319
THR C 320
 None
 0.92A 6cduB-2wbeC:
undetectable
6cduC-2wbeC:
undetectable		 6cduB-2wbeC:
21.66
6cduC-2wbeC:
21.66
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.
2wtk STE20-RELATED KINASE
ADAPTER PROTEIN
ALPHA

(Homo sapiens) 		PF00069
(Pkinase) 		4 GLN B 358
VAL B 356
ALA B 269
THR B 268
 None
 1.06A 6cduB-2wtkB:
undetectable
6cduC-2wtkB:
undetectable		 6cduB-2wtkB:
22.60
6cduC-2wtkB:
22.60
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.
2xdy POST-TRANSCRIPTIONAL
GENE SILENCING
PROTEIN QDE-2

(Neurospora
crassa) 		PF02171
(Piwi) 		4 VAL A 598
PRO A 563
ALA A 602
THR A 605
 None
None
SO4  A1642 (-3.5A)
None
 1.03A 6cduB-2xdyA:
undetectable
6cduC-2xdyA:
undetectable		 6cduB-2xdyA:
19.20
6cduC-2xdyA:
19.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2z7b MLR6791 PROTEIN

(Mesorhizobium
japonicum) 		PF00596
(Aldolase_II) 		4 GLN A  88
VAL A 172
ALA A  12
THR A  13
 None
 1.04A 6cduB-2z7bA:
undetectable
6cduC-2z7bA:
undetectable		 6cduB-2z7bA:
20.00
6cduC-2z7bA:
20.00
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.
3aq1 THERMOSOME SUBUNIT

(Methanococcoides
burtonii) 		PF00118
(Cpn60_TCP1) 		4 VAL B 339
PRO B 220
ALA B 336
THR B 335
 None
 1.02A 6cduB-3aq1B:
undetectable
6cduC-3aq1B:
2.7		 6cduB-3aq1B:
21.24
6cduC-3aq1B:
21.24
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.
3bmw CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Thermoanaerobacterium
thermosulfurigenes) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 VAL A 133
PRO A  79
ALA A 126
THR A 125
 None
 1.01A 6cduB-3bmwA:
undetectable
6cduC-3bmwA:
undetectable		 6cduB-3bmwA:
19.68
6cduC-3bmwA:
19.68
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.
3e49 UNCHARACTERIZED
PROTEIN DUF849 WITH
A TIM BARREL FOLD

(Paraburkholderia
xenovorans) 		PF05853
(BKACE) 		5 GLN A 197
VAL A 196
TRP A 230
ALA A 220
THR A 219
 None
 1.37A 6cduB-3e49A:
undetectable
6cduC-3e49A:
undetectable		 6cduB-3e49A:
23.36
6cduC-3e49A:
23.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3egi TRIMETHYLGUANOSINE
SYNTHASE HOMOLOG

(Homo sapiens) 		PF09445
(Methyltransf_15) 		4 GLN A 813
VAL A 814
ALA A 840
THR A 839
 None
 1.01A 6cduB-3egiA:
undetectable
6cduC-3egiA:
undetectable		 6cduB-3egiA:
19.14
6cduC-3egiA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fw6 CELLULASE

(uncultured
bacterium) 		PF12891
(Glyco_hydro_44) 		5 GLN A 512
VAL A 541
PRO A 537
ALA A 409
THR A 407
 None
 1.36A 6cduB-3fw6A:
undetectable
6cduC-3fw6A:
undetectable		 6cduB-3fw6A:
22.84
6cduC-3fw6A:
22.84
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.
3g5l PUTATIVE
S-ADENOSYLMETHIONINE
DEPENDENT
METHYLTRANSFERASE

(Listeria
monocytogenes) 		PF13649
(Methyltransf_25) 		4 VAL A 169
TRP A 167
ALA A 150
THR A 149
 None
 0.95A 6cduB-3g5lA:
undetectable
6cduC-3g5lA:
undetectable		 6cduB-3g5lA:
18.98
6cduC-3g5lA:
18.98
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.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		4 GLN A  56
VAL A 243
ALA A 276
THR A 277
 None
 0.96A 6cduB-3go7A:
undetectable
6cduC-3go7A:
undetectable		 6cduB-3go7A:
21.45
6cduC-3go7A:
21.45
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.
3h1q ETHANOLAMINE
UTILIZATION PROTEIN
EUTJ

(Carboxydothermus
hydrogenoformans) 		PF14450
(FtsA) 		4 GLN A 252
VAL A 253
ALA A 234
THR A 233
 None
None
None
ATP  A 301 (-4.7A)
 0.94A 6cduB-3h1qA:
undetectable
6cduC-3h1qA:
undetectable		 6cduB-3h1qA:
23.91
6cduC-3h1qA:
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.
3hly FLAVODOXIN-LIKE
DOMAIN

(Synechococcus
elongatus) 		no annotation 4 GLN A 400
TRP A 401
ALA A 373
THR A 372
 None
 1.03A 6cduB-3hlyA:
undetectable
6cduC-3hlyA:
undetectable		 6cduB-3hlyA:
17.43
6cduC-3hlyA:
17.43
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.
3hrd NICOTINATE
DEHYDROGENASE LARGE
MOLYBDOPTERIN
SUBUNIT

(Eubacterium
barkeri) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		4 GLN A 299
VAL A 333
ALA A 393
THR A 394
 None
 0.93A 6cduB-3hrdA:
undetectable
6cduC-3hrdA:
undetectable		 6cduB-3hrdA:
21.19
6cduC-3hrdA:
21.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iib PEPTIDASE M28

(Shewanella
amazonensis) 		PF04389
(Peptidase_M28) 		4 GLN A 441
VAL A 443
ALA A 302
THR A 301
 None
 1.03A 6cduB-3iibA:
undetectable
6cduC-3iibA:
undetectable		 6cduB-3iibA:
20.17
6cduC-3iibA:
20.17
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.
3jyf 2',3'-CYCLIC
NUCLEOTIDE
2'-PHOSPHODIESTERASE
/3'-NUCLEOTIDASE
BIFUNCTIONAL
PERIPLASMIC PROTEIN

(Klebsiella
pneumoniae) 		PF00149
(Metallophos) 		4 GLN A 231
VAL A 232
ALA A 190
THR A 189
 None
 1.02A 6cduB-3jyfA:
undetectable
6cduC-3jyfA:
undetectable		 6cduB-3jyfA:
23.66
6cduC-3jyfA:
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.
3kkj AMINE OXIDASE,
FLAVIN-CONTAINING

(Pseudomonas
syringae group
genomosp. 3) 		PF01593
(Amino_oxidase)
PF13450
(NAD_binding_8) 		4 GLN A 248
VAL A 249
ALA A 233
THR A 234
 None
 0.94A 6cduB-3kkjA:
undetectable
6cduC-3kkjA:
undetectable		 6cduB-3kkjA:
22.16
6cduC-3kkjA:
22.16
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.
3kw8 PUTATIVE COPPER
OXIDASE

(Streptomyces
coelicolor) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLN A 272
VAL A 219
ALA A 213
THR A 214
 None
 0.90A 6cduB-3kw8A:
undetectable
6cduC-3kw8A:
undetectable		 6cduB-3kw8A:
21.05
6cduC-3kw8A:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ng0 GLUTAMINE SYNTHETASE

(Synechocystis
sp. PCC 6803) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 GLN A   6
VAL A   8
ALA A  77
THR A  76
 None
 0.84A 6cduB-3ng0A:
undetectable
6cduC-3ng0A:
undetectable		 6cduB-3ng0A:
21.15
6cduC-3ng0A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3rpl D-FRUCTOSE
1,6-BISPHOSPHATASE
CLASS
2/SEDOHEPTULOSE
1,7-BISPHOSPHATASE

(Synechocystis
sp. PCC 6803) 		PF03320
(FBPase_glpX) 		4 GLN A 109
VAL A 105
ALA A  32
THR A  31
 None
 0.95A 6cduB-3rplA:
1.9
6cduC-3rplA:
undetectable		 6cduB-3rplA:
21.17
6cduC-3rplA:
21.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ta6 TRIOSEPHOSPHATE
ISOMERASE

(Mycobacterium
tuberculosis) 		PF00121
(TIM) 		4 GLN A  69
VAL A  96
ALA A 121
THR A 120
 None
 1.04A 6cduB-3ta6A:
undetectable
6cduC-3ta6A:
undetectable		 6cduB-3ta6A:
20.85
6cduC-3ta6A:
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.
3tbb SMALL LACCASE,
OXIDOREDUCTASE

(Streptomyces
viridosporus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLN A 267
VAL A 214
ALA A 208
THR A 209
 None
 0.95A 6cduB-3tbbA:
undetectable
6cduC-3tbbA:
undetectable		 6cduB-3tbbA:
21.64
6cduC-3tbbA:
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.
3vth HYDROGENASE
MATURATION FACTOR

(Caldanaerobacter
subterraneus) 		PF00708
(Acylphosphatase)
PF01300
(Sua5_yciO_yrdC)
PF07503
(zf-HYPF) 		4 VAL A 594
PRO A 649
ALA A 592
THR A 591
 None
 1.01A 6cduB-3vthA:
undetectable
6cduC-3vthA:
undetectable		 6cduB-3vthA:
17.30
6cduC-3vthA:
17.30
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.
4au2 SERPIN PEPTIDASE
INHIBITOR, CLADE H
(HEAT SHOCK PROTEIN
47), MEMBER 1,
(COLLAGEN BINDING
PROTEIN 1)

(Canis lupus) 		PF00079
(Serpin) 		4 VAL A 310
PRO A 307
ALA A 356
THR A 355
 None
 1.03A 6cduB-4au2A:
undetectable
6cduC-4au2A:
undetectable		 6cduB-4au2A:
19.44
6cduC-4au2A:
19.44
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.
4bhr PILIN, TYPE IV

(Thermus
thermophilus) 		no annotation 4 VAL A  75
PRO A  79
ALA A  52
THR A  51
 None
 1.03A 6cduB-4bhrA:
undetectable
6cduC-4bhrA:
undetectable		 6cduB-4bhrA:
15.17
6cduC-4bhrA:
15.17
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.
4c9m CYTOCHROME P450

(Novosphingobium
aromaticivorans) 		PF00067
(p450) 		4 VAL A  90
TRP A  89
PRO A 189
ALA A 306
 None
 0.94A 6cduB-4c9mA:
1.6
6cduC-4c9mA:
1.8		 6cduB-4c9mA:
21.88
6cduC-4c9mA:
21.88
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.
4cj0 ENDOGLUCANASE D
E12 AFFITIN

(Ruminiclostridium
thermocellum;
synthetic
construct) 		PF00759
(Glyco_hydro_9)
PF02927
(CelD_N)
PF02294
(7kD_DNA_binding) 		4 GLN B  35
VAL B  34
PRO A 539
ALA B  54
 None
 1.04A 6cduB-4cj0B:
undetectable
6cduC-4cj0B:
undetectable		 6cduB-4cj0B:
13.27
6cduC-4cj0B:
13.27
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.
4fmv GLUCURONOARABINOXYLA
N
ENDO-1,4-BETA-XYLANA
SE

([Clostridium]
papyrosolvens) 		PF02055
(Glyco_hydro_30)
PF17189
(Glyco_hydro_30C) 		5 GLN A 336
VAL A 334
PRO A 307
ALA A 332
THR A 331
 None
 1.36A 6cduB-4fmvA:
undetectable
6cduC-4fmvA:
undetectable		 6cduB-4fmvA:
20.35
6cduC-4fmvA:
20.35
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.
4gqo LMO0859 PROTEIN

(Listeria
monocytogenes) 		PF13416
(SBP_bac_8) 		4 VAL A 302
PRO A 173
ALA A 219
THR A 314
 None
 1.02A 6cduB-4gqoA:
undetectable
6cduC-4gqoA:
undetectable		 6cduB-4gqoA:
19.91
6cduC-4gqoA:
19.91
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.
4gyb COPPER OXIDASE

(Streptomyces
lividans) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLN A 272
VAL A 219
ALA A 213
THR A 214
 None
 0.88A 6cduB-4gybA:
undetectable
6cduC-4gybA:
undetectable		 6cduB-4gybA:
19.11
6cduC-4gybA:
19.11
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.
4hao PROBABLE INORGANIC
POLYPHOSPHATE/ATP-NA
D KINASE

(Yersinia pestis) 		PF01513
(NAD_kinase) 		4 VAL A  39
PRO A  14
ALA A  52
THR A  50
 None
 1.03A 6cduB-4haoA:
undetectable
6cduC-4haoA:
undetectable		 6cduB-4haoA:
22.47
6cduC-4haoA:
22.47
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.
4hka TRYPTOPHAN
2,3-DIOXYGENASE

(Drosophila
melanogaster) 		PF03301
(Trp_dioxygenase) 		4 GLN A 112
VAL A 110
TRP A 308
THR A 306
 None
 0.94A 6cduB-4hkaA:
1.2
6cduC-4hkaA:
1.5		 6cduB-4hkaA:
20.77
6cduC-4hkaA:
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.
4izo PHOSPHORIBOSYLAMINOI
MIDAZOLE
CARBOXYLASE, ATPASE
SUBUNIT

(Burkholderia
thailandensis) 		PF02222
(ATP-grasp) 		4 GLN A 346
VAL A 347
ALA A 353
THR A 352
 None
 0.96A 6cduB-4izoA:
undetectable
6cduC-4izoA:
undetectable		 6cduB-4izoA:
21.35
6cduC-4izoA:
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.
4j9t DESIGNED UNNATURAL
AMINO ACID DEPENDENT
METALLOPROTEIN

(Micromonospora
viridifaciens) 		PF13088
(BNR_2) 		4 GLN A 115
VAL A 117
ALA A 175
THR A 176
 None
 1.01A 6cduB-4j9tA:
undetectable
6cduC-4j9tA:
undetectable		 6cduB-4j9tA:
20.94
6cduC-4j9tA:
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.
4jcl CYCLOMALTODEXTRIN
GLUCANOTRANSFERASE

(Paenibacillus
macerans) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 VAL A 132
PRO A  79
ALA A 125
THR A 124
 None
None
None
CL  A 708 ( 4.2A)
 1.01A 6cduB-4jclA:
undetectable
6cduC-4jclA:
undetectable		 6cduB-4jclA:
18.67
6cduC-4jclA:
18.67
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.
4jcm CYCLODEXTRIN
GLUCANOTRANSFERASE

([Bacillus]
clarkii) 		PF00128
(Alpha-amylase)
PF00686
(CBM_20)
PF01833
(TIG) 		4 VAL A 129
PRO A  79
ALA A 122
THR A 121
 None
None
None
SO4  A 722 ( 3.9A)
 0.99A 6cduB-4jcmA:
undetectable
6cduC-4jcmA:
undetectable		 6cduB-4jcmA:
17.89
6cduC-4jcmA:
17.89
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.
4jwg TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Schizosaccharomyces
pombe) 		PF01746
(tRNA_m1G_MT) 		4 GLN A 118
VAL A 119
ALA A 137
THR A 138
 None
 1.03A 6cduB-4jwgA:
undetectable
6cduC-4jwgA:
undetectable		 6cduB-4jwgA:
20.62
6cduC-4jwgA:
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.
4jwh TRNA
(GUANINE(9)-N1)-METH
YLTRANSFERASE

(Schizosaccharomyces
pombe) 		PF01746
(tRNA_m1G_MT) 		4 GLN A 118
VAL A 119
ALA A 137
THR A 138
 None
 1.03A 6cduB-4jwhA:
undetectable
6cduC-4jwhA:
undetectable		 6cduB-4jwhA:
21.20
6cduC-4jwhA:
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.
4k08 METHYL-ACCEPTING
CHEMOTAXIS SENSORY
TRANSDUCER

(Anaeromyxobacter
dehalogenans) 		PF17200
(sCache_2) 		4 VAL A  97
TRP A  96
PRO A 108
THR A 165
 None
ACT  A 201 (-3.7A)
None
None
 1.06A 6cduB-4k08A:
undetectable
6cduC-4k08A:
undetectable		 6cduB-4k08A:
20.18
6cduC-4k08A:
20.18
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.
4le7 PYOCIN L1

(Pseudomonas
aeruginosa) 		PF01453
(B_lectin) 		4 GLN A 161
VAL A 163
ALA A 166
THR A 167
 None
 1.01A 6cduB-4le7A:
undetectable
6cduC-4le7A:
undetectable		 6cduB-4le7A:
22.90
6cduC-4le7A:
22.90
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.
4m1r CELLULASE 5

(soil metagenome) 		PF00150
(Cellulase) 		4 VAL A 164
PRO A 215
ALA A 146
THR A 147
 None
 0.82A 6cduB-4m1rA:
undetectable
6cduC-4m1rA:
undetectable		 6cduB-4m1rA:
21.84
6cduC-4m1rA:
21.84
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.
4nes UDP-N-ACETYLGLUCOSAM
INE 2-EPIMERASE

(Methanocaldococcus
jannaschii) 		PF02350
(Epimerase_2) 		4 VAL A 105
PRO A  87
ALA A 101
THR A  98
 None
 0.92A 6cduB-4nesA:
undetectable
6cduC-4nesA:
undetectable		 6cduB-4nesA:
21.65
6cduC-4nesA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rih GLYCOSYL TRANSFERASE
HOMOLOG,GLYCOSYL
TRANSFERASE

(Streptomyces
fradiae;
Streptomyces
cyanogenus) 		PF06722
(DUF1205) 		4 VAL A 268
TRP A 267
ALA A 247
THR A 216
 3R2  A 401 (-4.6A)
3R2  A 401 (-3.5A)
3R2  A 401 (-3.5A)
3R2  A 401 ( 4.8A)
 1.04A 6cduB-4rihA:
undetectable
6cduC-4rihA:
undetectable		 6cduB-4rihA:
24.32
6cduC-4rihA:
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.
4rma EZRIN

(Homo sapiens) 		PF00373
(FERM_M)
PF09379
(FERM_N)
PF09380
(FERM_C) 		4 GLN A 160
VAL A 157
ALA A 122
THR A 121
 None
 0.93A 6cduB-4rmaA:
undetectable
6cduC-4rmaA:
undetectable		 6cduB-4rmaA:
17.54
6cduC-4rmaA:
17.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s17 GLUTAMINE SYNTHETASE

(Bifidobacterium
adolescentis) 		PF00120
(Gln-synt_C)
PF03951
(Gln-synt_N) 		4 GLN A 111
VAL A 112
PRO A 104
THR A 439
 None
 1.03A 6cduB-4s17A:
undetectable
6cduC-4s17A:
undetectable		 6cduB-4s17A:
21.95
6cduC-4s17A:
21.95
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.
4u0t ADC-7 BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00144
(Beta-lactamase) 		4 GLN A 172
VAL A 173
ALA A  73
THR A  72
 None
 0.95A 6cduB-4u0tA:
undetectable
6cduC-4u0tA:
undetectable		 6cduB-4u0tA:
24.25
6cduC-4u0tA:
24.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4uop LIPOTEICHOIC ACID
PRIMASE

(Listeria
monocytogenes) 		PF00884
(Sulfatase) 		4 VAL A 286
PRO A 311
ALA A 282
THR A 279
 None
None
None
MG  A1612 (-2.8A)
 0.90A 6cduB-4uopA:
undetectable
6cduC-4uopA:
undetectable		 6cduB-4uopA:
22.15
6cduC-4uopA:
22.15
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.
4w1t COPPER OXIDASE

(Streptomyces
sviceus) 		PF07731
(Cu-oxidase_2)
PF07732
(Cu-oxidase_3) 		4 GLN A 269
VAL A 216
ALA A 210
THR A 211
 None
 0.97A 6cduB-4w1tA:
undetectable
6cduC-4w1tA:
undetectable		 6cduB-4w1tA:
21.49
6cduC-4w1tA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4wjv RIBOSOME ASSEMBLY
PROTEIN 4

(Saccharomyces
cerevisiae) 		PF00400
(WD40) 		4 VAL A 160
TRP A 171
ALA A 168
THR A 167
 None
 1.05A 6cduB-4wjvA:
undetectable
6cduC-4wjvA:
undetectable		 6cduB-4wjvA:
20.73
6cduC-4wjvA:
20.73
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.
4xg0 UNCHARACTERIZED
PROTEIN

(Bordetella
bronchiseptica) 		PF07005
(DUF1537)
PF17042
(DUF1357_C) 		4 GLN A 199
VAL A 198
ALA A 119
THR A 126
 None
 0.80A 6cduB-4xg0A:
undetectable
6cduC-4xg0A:
undetectable		 6cduB-4xg0A:
19.09
6cduC-4xg0A:
19.09
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.
4yvd PLEIOTROPIC
REGULATOR 1

(Homo sapiens) 		PF00400
(WD40) 		4 VAL A 304
TRP A 315
ALA A 312
THR A 311
 None
 0.87A 6cduB-4yvdA:
undetectable
6cduC-4yvdA:
undetectable		 6cduB-4yvdA:
22.41
6cduC-4yvdA:
22.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zfm PUTATIVE
6-PHOSPHO-BETA-GALAC
TOBIOSIDASE

(Geobacillus
stearothermophilus) 		PF00232
(Glyco_hydro_1) 		4 GLN A 210
VAL A 208
ALA A 151
THR A 153
 None
 1.05A 6cduB-4zfmA:
undetectable
6cduC-4zfmA:
undetectable		 6cduB-4zfmA:
22.38
6cduC-4zfmA:
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.
5anb ELONGATION FACTOR TU
GTP-BINDING
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00009
(GTP_EFTU)
PF00679
(EFG_C)
PF14492
(EFG_II) 		4 VAL K 577
PRO K 366
ALA K 516
THR K 407
 None
 0.93A 6cduB-5anbK:
undetectable
6cduC-5anbK:
undetectable		 6cduB-5anbK:
15.68
6cduC-5anbK:
15.68
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.
5c54 DIHYDRODIPICOLINATE
SYNTHASE/N-ACETYLNEU
RAMINATE LYASE

(Corynebacterium
glutamicum) 		PF00701
(DHDPS) 		4 VAL A 219
PRO A  12
ALA A 274
THR A 273
 None
 1.00A 6cduB-5c54A:
undetectable
6cduC-5c54A:
undetectable		 6cduB-5c54A:
21.41
6cduC-5c54A:
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.
5cr4 SLEEPING BEAUTY
TRANSPOSASE, SB100X

(synthetic
construct) 		PF01498
(HTH_Tnp_Tc3_2)
PF13358
(DDE_3) 		4 VAL A 220
PRO A  11
ALA A  25
THR A  26
 None
 1.01A 6cduB-5cr4A:
undetectable
6cduC-5cr4A:
undetectable		 6cduB-5cr4A:
20.72
6cduC-5cr4A:
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.
5cxc RIBOSOME BIOGENESIS
PROTEIN ERB1

(Chaetomium
thermophilum) 		PF00400
(WD40) 		4 VAL B 789
TRP B 800
ALA B 797
THR B 796
 None
 0.97A 6cduB-5cxcB:
undetectable
6cduC-5cxcB:
undetectable		 6cduB-5cxcB:
22.45
6cduC-5cxcB:
22.45
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.
5dzw PROTOCADHERIN
ALPHA-4

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 GLN A 355
VAL A 356
ALA A 398
THR A 397
 None
 0.94A 6cduB-5dzwA:
undetectable
6cduC-5dzwA:
undetectable		 6cduB-5dzwA:
21.68
6cduC-5dzwA:
21.68
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.
5eue PUTATIVE
SPHINGOSINE-1-PHOSPH
ATE LYASE

(Symbiobacterium
thermophilum) 		PF00282
(Pyridoxal_deC) 		4 VAL A 143
TRP A 363
ALA A 362
THR A 361
 None
 0.78A 6cduB-5eueA:
undetectable
6cduC-5eueA:
undetectable		 6cduB-5eueA:
18.87
6cduC-5eueA:
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.
5h05 AMYP

(marine
metagenome) 		PF00128
(Alpha-amylase) 		4 GLN A 182
VAL A 183
PRO A 149
ALA A 187
 None
 0.96A 6cduB-5h05A:
undetectable
6cduC-5h05A:
undetectable		 6cduB-5h05A:
19.25
6cduC-5h05A:
19.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5h1k GEM-ASSOCIATED
PROTEIN 5

(Homo sapiens) 		PF00400
(WD40)
PF12894
(ANAPC4_WD40) 		4 VAL A 656
TRP A 667
ALA A 664
THR A 663
 None
 0.98A 6cduB-5h1kA:
undetectable
6cduC-5h1kA:
undetectable		 6cduB-5h1kA:
18.12
6cduC-5h1kA:
18.12
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.
5k5m RNA DEPENDENT RNA
POLYMERASE

(Dengue virus) 		PF00972
(Flavi_NS5) 		4 GLN A 622
PRO A 669
ALA A 680
THR A 679
 None
 1.06A 6cduB-5k5mA:
undetectable
6cduC-5k5mA:
undetectable		 6cduB-5k5mA:
19.72
6cduC-5k5mA:
19.72
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.
5mkm TWO-DOMAIN LACCASE

(Streptomyces
griseoflavus) 		no annotation 4 GLN A 273
VAL A 220
ALA A 214
THR A 215
 None
 0.91A 6cduB-5mkmA:
undetectable
6cduC-5mkmA:
undetectable		 6cduB-5mkmA:
undetectable
6cduC-5mkmA:
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.
5msy GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron) 		PF12904
(Collagen_bind_2)
PF13204
(DUF4038) 		4 GLN A 162
VAL A 160
ALA A 195
THR A 194
 None
 1.04A 6cduB-5msyA:
undetectable
6cduC-5msyA:
undetectable		 6cduB-5msyA:
19.01
6cduC-5msyA:
19.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nuv AUTOPHAGY-RELATED
PROTEIN 16-1

(Homo sapiens) 		PF00400
(WD40) 		4 VAL A 593
TRP A 604
PRO A 311
ALA A 601
 None
 0.93A 6cduB-5nuvA:
undetectable
6cduC-5nuvA:
undetectable		 6cduB-5nuvA:
21.15
6cduC-5nuvA:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o64 REACTION CENTER
PROTEIN H CHAIN

(Blastochloris
viridis) 		PF03967
(PRCH)
PF05239
(PRC) 		4 GLN H 229
VAL H 135
ALA H 140
THR H 141
 None
 1.01A 6cduB-5o64H:
undetectable
6cduC-5o64H:
undetectable		 6cduB-5o64H:
22.12
6cduC-5o64H:
22.12
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5o8f GAMMA-AMINOBUTYRIC
ACID RECEPTOR
SUBUNIT
BETA-3,GAMMA-AMINOBU
TYRIC ACID RECEPTOR
SUBUNIT
ALPHA-5,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-5

(Homo sapiens) 		no annotation 4 GLN A 245
VAL A 246
TRP A 249
PRO A 403
 None
 0.48A 6cduB-5o8fA:
20.8
6cduC-5o8fA:
21.2		 6cduB-5o8fA:
48.09
6cduC-5o8fA:
48.09
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.
5o9w THEBAINE
6-O-DEMETHYLASE

(Papaver
somniferum) 		no annotation 4 GLN A  89
VAL A 276
PRO A 269
THR A 310
 None
 0.94A 6cduB-5o9wA:
1.4
6cduC-5o9wA:
1.4		 6cduB-5o9wA:
undetectable
6cduC-5o9wA:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5osb PROTON-GATED ION
CHANNEL,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT
ALPHA-1,GAMMA-AMINOB
UTYRIC ACID RECEPTOR
SUBUNIT ALPHA-1

(Mus musculus;
Gloeobacter
violaceus) 		no annotation 4 GLN A 241
VAL A 242
TRP A 245
PRO A 400
 A8Z  A 502 (-2.8A)
A8Z  A 502 (-2.9A)
A8Z  A 502 ( 2.8A)
A8Z  A 502 (-3.1A)
 0.44A 6cduB-5osbA:
20.4
6cduC-5osbA:
27.1		 6cduB-5osbA:
49.40
6cduC-5osbA:
49.40
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.
5szn PROTOCADHERIN GAMMA
A9

(Mus musculus) 		PF00028
(Cadherin)
PF08266
(Cadherin_2) 		4 GLN A 353
VAL A 354
ALA A 396
THR A 395
 None
 1.00A 6cduB-5sznA:
3.3
6cduC-5sznA:
3.4		 6cduB-5sznA:
19.47
6cduC-5sznA:
19.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5t3o RIBOSE-PHOSPHATE
PYROPHOSPHOKINASE

(Thermus
thermophilus) 		PF13793
(Pribosyltran_N)
PF14572
(Pribosyl_synth) 		4 GLN A 134
VAL A 135
ALA A 110
THR A 109
 None
 1.06A 6cduB-5t3oA:
undetectable
6cduC-5t3oA:
undetectable		 6cduB-5t3oA:
21.99
6cduC-5t3oA:
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.
5tqi PYRIDOXAL KINASE
PDXY

(Burkholderia
multivorans) 		PF08543
(Phos_pyr_kin) 		4 VAL A 251
PRO A 216
ALA A 247
THR A 244
 None
 1.05A 6cduB-5tqiA:
undetectable
6cduC-5tqiA:
undetectable		 6cduB-5tqiA:
23.86
6cduC-5tqiA:
23.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5uj6 GLYCOSYL HYDROLASES
FAMILY 2, SUGAR
BINDING DOMAIN
PROTEIN

(Bacteroides
uniformis) 		PF00703
(Glyco_hydro_2)
PF02836
(Glyco_hydro_2_C)
PF02837
(Glyco_hydro_2_N)
PF11721
(Malectin)
PF16355
(DUF4982) 		4 GLN A 688
VAL A 653
ALA A 672
THR A 673
 None
 0.78A 6cduB-5uj6A:
undetectable
6cduC-5uj6A:
undetectable		 6cduB-5uj6A:
16.73
6cduC-5uj6A:
16.73
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.
5vg1 CHITINASE

(Jonesia
denitrificans) 		PF03067
(LPMO_10) 		4 GLN A 128
TRP A 155
PRO A 133
ALA A 153
 None
 1.03A 6cduB-5vg1A:
undetectable
6cduC-5vg1A:
undetectable		 6cduB-5vg1A:
15.82
6cduC-5vg1A:
15.82
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.
5vy3 PROTEASOME SUBUNIT
ALPHA

(Thermoplasma
acidophilum) 		no annotation 4 GLN A  68
VAL A  77
ALA A  37
THR A  36
 None
 0.89A 6cduB-5vy3A:
undetectable
6cduC-5vy3A:
undetectable		 6cduB-5vy3A:
22.63
6cduC-5vy3A:
22.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wgc DAUNORUBICIN-DOXORUB
ICIN POLYKETIDE
SYNTHASE

(Streptomyces
peucetius) 		no annotation 4 GLN A 101
VAL A 100
ALA A  60
THR A 145
 None
 1.00A 6cduB-5wgcA:
undetectable
6cduC-5wgcA:
undetectable		 6cduB-5wgcA:
undetectable
6cduC-5wgcA:
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.
5yh5 NICKEL ABC
TRANSPORTER
SUBSTRATE-BINDING
PROTEIN

(Staphylococcus
aureus) 		no annotation 4 VAL A 258
PRO A 473
ALA A 428
THR A 429
 None
 1.05A 6cduB-5yh5A:
undetectable
6cduC-5yh5A:
undetectable		 6cduB-5yh5A:
undetectable
6cduC-5yh5A:
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.
5zu5 ALGINATE LYASE

(Vibrio
splendidus) 		no annotation 4 VAL A 465
PRO A 235
ALA A 480
THR A 481
 None
 1.02A 6cduB-5zu5A:
undetectable
6cduC-5zu5A:
undetectable		 6cduB-5zu5A:
undetectable
6cduC-5zu5A:
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.
6az6 GNTR FAMILY
TRANSCRIPTIONAL
REGULATOR

(Streptococcus
agalactiae) 		no annotation 4 GLN A  62
VAL A  60
ALA A  53
THR A  54
 None
 0.70A 6cduB-6az6A:
2.0
6cduC-6az6A:
undetectable		 6cduB-6az6A:
undetectable
6cduC-6az6A:
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.
6bxn DIPHTHAMIDE
BIOSYNTHESIS ENZYME
DPH2

(Candidatus
Methanoperedens
nitroreducens) 		no annotation 4 GLN A 269
VAL A 265
ALA A 282
THR A 281
 None
SAM  A 901 (-4.0A)
SAM  A 901 ( 4.4A)
None
 1.00A 6cduB-6bxnA:
undetectable
6cduC-6bxnA:
undetectable		 6cduB-6bxnA:
undetectable
6cduC-6bxnA:
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.
6cu5 PROTEIN ARGININE
N-METHYLTRANSFERASE

(Naegleria
fowleri) 		no annotation 4 GLN A 274
VAL A 276
PRO A 265
ALA A 242
 None
 1.02A 6cduB-6cu5A:
undetectable
6cduC-6cu5A:
undetectable		 6cduB-6cu5A:
undetectable
6cduC-6cu5A:
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.
6ez8 HUNTINGTIN

(Homo sapiens) 		no annotation 4 GLN A2177
VAL A2176
ALA A2251
THR A2252
 None
 0.81A 6cduB-6ez8A:
undetectable
6cduC-6ez8A:
undetectable		 6cduB-6ez8A:
undetectable
6cduC-6ez8A:
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.
6f4c ALPHA-GALACTOSIDASE

(Nicotiana
benthamiana) 		no annotation 4 GLN B 322
VAL B 320
PRO B  60
ALA B 351
 None
 0.92A 6cduB-6f4cB:
1.1
6cduC-6f4cB:
undetectable		 6cduB-6f4cB:
undetectable
6cduC-6f4cB:
undetectable