SIMILAR PATTERNS OF AMINO ACIDS FOR 6FHW_A_ACRA801

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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		6 ALA A 319
TRP A 341
ARG A 343
ASP A 344
GLY A 392
TRP A 654
 ACR  A 700 (-3.2A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
None
None
 0.83A 6fhwA-1lf9A:
29.4		 6fhwA-1lf9A:
8.19
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		5 ALA A 319
TRP A 341
ASP A 344
GLU A 435
TRP A 654
 ACR  A 700 (-3.2A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
None
None
 1.20A 6fhwA-1lf9A:
29.4		 6fhwA-1lf9A:
8.19
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		10 ALA A 319
TYR A 337
TRP A 341
ARG A 343
ASP A 344
GLU A 439
ARG A 575
TYR A 581
TRP A 599
TRP A 654
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.6A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.0A)
ACR  A 700 (-3.7A)
None
None
 0.45A 6fhwA-1lf9A:
29.4		 6fhwA-1lf9A:
8.19
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		5 ALA A 319
TYR A 337
TRP A 390
GLU A 439
TYR A 581
 ACR  A 700 (-3.2A)
ACR  A 700 (-4.3A)
ACR  A 700 ( 3.8A)
ACR  A 700 (-3.7A)
ACR  A 700 (-3.7A)
 0.91A 6fhwA-1lf9A:
29.4		 6fhwA-1lf9A:
8.19
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.
1nmb N9 NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ALA N 105
ASP N 103
GLY N 405
GLU N 119
TRP N 161
 None
 1.19A 6fhwA-1nmbN:
undetectable		 6fhwA-1nmbN:
11.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		6 ALA A 307
TRP A 330
ARG A 332
ASP A 333
GLY A 382
TRP A 655
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
None
None
 0.90A 6fhwA-1ulvA:
33.7		 6fhwA-1ulvA:
6.85
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		5 ALA A 307
TRP A 330
ASP A 333
GLU A 427
TRP A 655
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
None
None
 1.29A 6fhwA-1ulvA:
33.7		 6fhwA-1ulvA:
6.85
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		10 ALA A 307
TYR A 326
TRP A 330
ARG A 332
ASP A 333
GLU A 431
ARG A 567
TYR A 573
TRP A 591
TRP A 655
 ACR  A3000 (-3.4A)
ACR  A3000 (-3.9A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.7A)
ACR  A3000 (-3.1A)
ACR  A3000 (-3.5A)
ACR  A3000 (-2.9A)
ACR  A3000 (-3.7A)
None
None
 0.47A 6fhwA-1ulvA:
33.7		 6fhwA-1ulvA:
6.85
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.
1v0z NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ALA A 111
ASP A 109
GLY A 411
GLU A 125
TRP A 167
 None
 1.19A 6fhwA-1v0zA:
undetectable		 6fhwA-1v0zA:
11.94
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.
1xog NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 ALA A 106
ASP A 104
GLY A 405
GLU A 120
TRP A 162
 None
None
None
ABW  A1000 (-3.7A)
None
 1.18A 6fhwA-1xogA:
undetectable		 6fhwA-1xogA:
12.66
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.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		12 ALA A  54
TYR A  63
TRP A  67
ARG A  69
ASP A  70
TRP A 139
GLY A 140
GLU A 211
ARG A 345
TYR A 351
TRP A 362
TRP A 473
 ACR  A 995 (-3.4A)
ACR  A 995 (-4.3A)
ACR  A 995 (-3.4A)
ACR  A 995 (-3.7A)
ACR  A 995 (-3.0A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.3A)
ACR  A 995 (-3.5A)
ACR  A 995 (-3.0A)
ACR  A 995 ( 3.7A)
None
None
 0.36A 6fhwA-2f6dA:
45.3		 6fhwA-2f6dA:
10.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hck HEMATOPOETIC CELL
KINASE HCK

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1)
PF07714
(Pkinase_Tyr) 		5 ALA A 474
TYR A 479
TRP A 499
GLY A 449
ARG A 460
 None
 1.26A 6fhwA-2hckA:
undetectable		 6fhwA-2hckA:
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.
2hk5 TYROSINE-PROTEIN
KINASE HCK

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 452
TYR A 457
TRP A 477
GLY A 427
ARG A 438
 None
 1.20A 6fhwA-2hk5A:
undetectable		 6fhwA-2hk5A:
14.07
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.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		12 ALA A  38
TYR A  47
TRP A  51
ARG A  53
ASP A  54
TRP A 120
GLY A 121
GLU A 180
ARG A 309
TYR A 315
TRP A 321
TRP A 421
 BTB  A 620 ( 3.8A)
BTB  A 620 (-3.9A)
BTB  A 620 (-3.8A)
BTB  A 620 (-3.7A)
BTB  A 620 (-2.8A)
None
None
None
BTB  A 620 (-3.6A)
BTB  A 620 ( 4.9A)
None
None
 0.46A 6fhwA-2vn7A:
57.8		 6fhwA-2vn7A:
9.38
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.
3cze SUCROSE HYDROLASE

(Xanthomonas
citri) 		PF00128
(Alpha-amylase) 		5 ALA A 527
TYR A 114
TRP A 524
GLY A 103
TYR A  94
 None
 1.49A 6fhwA-3czeA:
undetectable		 6fhwA-3czeA:
9.15
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.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		12 ALA A  63
TYR A  72
TRP A  76
ARG A  78
ASP A  79
TRP A 144
GLY A 145
GLU A 204
ARG A 329
TYR A 335
TRP A 341
TRP A 441
 TRS  A 701 ( 3.8A)
TRS  A 701 (-4.5A)
TRS  A 701 (-3.8A)
TRS  A 701 (-3.8A)
TRS  A 701 (-2.8A)
None
None
GOL  A 801 (-3.6A)
GOL  A 801 (-3.3A)
GOL  A 801 ( 4.1A)
None
None
 0.42A 6fhwA-3eqaA:
61.7		 6fhwA-3eqaA:
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.
3nxl GLUCARATE
DEHYDRATASE

(Burkholderia
lata) 		PF13378
(MR_MLE_C) 		5 ALA A 332
TRP A 356
GLY A 380
GLU A 158
TRP A 315
 None
 1.33A 6fhwA-3nxlA:
undetectable		 6fhwA-3nxlA:
10.11
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.
3q2r GLIOMA
PATHOGENESIS-RELATED
PROTEIN 1

(Homo sapiens) 		PF00188
(CAP) 		5 ALA A  52
ARG A  45
TRP A 143
GLY A 179
TYR A 124
 None
 1.25A 6fhwA-3q2rA:
undetectable		 6fhwA-3q2rA:
16.99
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.
3ubr CYTOCHROME C-552

(Shewanella
oneidensis) 		PF02335
(Cytochrom_C552) 		5 ASP A  44
GLY A 164
GLU A  36
ARG A  38
TYR A 470
 None
 1.17A 6fhwA-3ubrA:
undetectable		 6fhwA-3ubrA:
10.26
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.
3zfx EPHRIN TYPE-B
RECEPTOR 1

(Homo sapiens) 		PF07714
(Pkinase_Tyr) 		5 ALA A 836
TYR A 841
TRP A 861
GLY A 811
TRP A 826
 None
 1.44A 6fhwA-3zfxA:
undetectable		 6fhwA-3zfxA:
13.51
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.
5goo ALKALINE INVERTASE

(Nostoc sp. PCC
7120) 		PF12899
(Glyco_hydro_100) 		5 ALA A  36
TYR A  47
ARG A  53
ASP A  54
TRP A 376
 GOL  A 502 ( 4.2A)
FRU  A 501 (-4.3A)
GOL  A 502 (-4.4A)
GOL  A 502 (-2.9A)
None
 0.90A 6fhwA-5gooA:
22.9		 6fhwA-5gooA:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5goo ALKALINE INVERTASE

(Nostoc sp. PCC
7120) 		PF12899
(Glyco_hydro_100) 		5 ALA A  36
TYR A  47
ASP A  54
TYR A 370
TRP A 376
 GOL  A 502 ( 4.2A)
FRU  A 501 (-4.3A)
GOL  A 502 (-2.9A)
FRU  A 501 (-4.8A)
None
 1.06A 6fhwA-5gooA:
22.9		 6fhwA-5gooA:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oie -

(-) 		no annotation 6 ALA A  31
TYR A  36
TRP A  40
ASP A  43
TYR A 375
TRP A 381
 GOL  A 501 ( 4.0A)
GOL  A 501 ( 3.7A)
GOL  A 501 ( 4.0A)
GOL  A 501 (-2.9A)
None
None
 1.03A 6fhwA-5oieA:
18.8		 6fhwA-5oieA:
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.
5xcb PROBABLE SURFACE
PROTEIN

(Clostridium
perfringens) 		no annotation 5 ALA A  66
TYR A  67
ASP A  65
GLY A 162
TYR A 167
 None
 1.30A 6fhwA-5xcbA:
2.2		 6fhwA-5xcbA:
20.88
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 12 ALA A  66
TYR A  75
TRP A  79
ARG A  81
ASP A  82
TRP A 154
GLY A 155
GLU A 214
ARG A 341
TYR A 347
TRP A 353
TRP A 453
 B3P  A 652 ( 3.9A)
B3P  A 652 (-4.1A)
B3P  A 652 ( 4.1A)
B3P  A 652 (-4.0A)
B3P  A 652 (-2.8A)
B3P  A 652 (-4.3A)
None
B3P  A 652 (-3.4A)
B3P  A 652 (-2.8A)
B3P  A 652 ( 3.8A)
None
None
 0.44A 6fhwA-6fhvA:
59.3		 6fhwA-6fhvA:
35.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 12 ALA A  63
TYR A  72
TRP A  76
ARG A  78
ASP A  79
TRP A 144
GLY A 145
GLU A 204
ARG A 329
TYR A 335
TRP A 341
TRP A 441
 None
 0.33A 6fhwA-6frvA:
60.8		 6fhwA-6frvA:
41.25
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.
1g73 SECOND
MITOCHONDRIA-DERIVED
ACTIVATOR OF
CASPASES

(Homo sapiens) 		PF09057
(Smac_DIABLO) 		3 TRP A 102
GLU A  99
GLU A 140
 None
 1.01A 6fhwA-1g73A:
2.1		 6fhwA-1g73A:
18.40
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.
1gt0 TRANSCRIPTION FACTOR
SOX-2

(Mus musculus) 		PF00505
(HMG_box) 		3 TRP D  41
GLU D  40
GLU D  48
 None
 0.76A 6fhwA-1gt0D:
undetectable		 6fhwA-1gt0D:
21.18
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.
1hqs ISOCITRATE
DEHYDROGENASE

(Bacillus
subtilis) 		PF00180
(Iso_dh) 		3 TRP A 235
GLU A 195
GLU A 148
 None
 1.02A 6fhwA-1hqsA:
undetectable		 6fhwA-1hqsA:
12.01
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.
1izo CYTOCHROME P450
152A1

(Bacillus
subtilis) 		PF00067
(p450) 		3 TRP A 119
GLU A 118
GLU A 137
 None
 0.90A 6fhwA-1izoA:
undetectable		 6fhwA-1izoA:
12.43
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		3 TRP A 437
GLU A 438
GLU A 636
 ACR  A 700 (-4.8A)
ACR  A 700 (-3.5A)
None
 0.37A 6fhwA-1lf9A:
29.4		 6fhwA-1lf9A:
8.19
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.
1lf9 GLUCOAMYLASE

(Thermoanaerobacterium
thermosaccharolyticum) 		PF00723
(Glyco_hydro_15)
PF09137
(Glucodextran_N) 		3 TRP A 654
GLU A 636
GLU A 438
 None
None
ACR  A 700 (-3.5A)
 0.88A 6fhwA-1lf9A:
29.4		 6fhwA-1lf9A:
8.19
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.
1mns MANDELATE RACEMASE

(Pseudomonas
putida) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 TRP A 219
GLU A 222
GLU A 317
 None
None
APG  A 361 ( 2.9A)
 0.99A 6fhwA-1mnsA:
undetectable		 6fhwA-1mnsA:
13.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1nj1 PROLINE-TRNA
SYNTHETASE

(Methanothermobacter
thermautotrophicus) 		PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09180
(ProRS-C_1) 		3 TRP A 435
GLU A 446
GLU A 439
 None
MG  A 514 (-2.9A)
None
 0.95A 6fhwA-1nj1A:
undetectable		 6fhwA-1nj1A:
9.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qhx PROTEIN
(CHLORAMPHENICOL
PHOSPHOTRANSFERASE)

(Streptomyces
venezuelae) 		PF07931
(CPT) 		3 TRP A 116
GLU A 153
GLU A 103
 None
 0.99A 6fhwA-1qhxA:
undetectable		 6fhwA-1qhxA:
21.76
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.
1rqg METHIONYL-TRNA
SYNTHETASE

(Pyrococcus
abyssi) 		PF08264
(Anticodon_1)
PF09334
(tRNA-synt_1g) 		3 TRP A 278
GLU A 277
GLU A 321
 None
 0.98A 6fhwA-1rqgA:
2.6		 6fhwA-1rqgA:
7.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1t77 LIPOPOLYSACCHARIDE-R
ESPONSIVE AND
BEIGE-LIKE ANCHOR
PROTEIN

(Homo sapiens) 		PF02138
(Beach)
PF14844
(PH_BEACH) 		3 TRP A2396
GLU A2257
GLU A2402
 None
 0.86A 6fhwA-1t77A:
undetectable		 6fhwA-1t77A:
11.76
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.
1tlj HYPOTHETICAL UPF0130
PROTEIN SSO0622

(Sulfolobus
solfataricus) 		PF02676
(TYW3) 		3 TRP A  96
GLU A  60
GLU A 155
 None
 1.03A 6fhwA-1tljA:
undetectable		 6fhwA-1tljA:
15.24
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		3 TRP A 429
GLU A 430
GLU A 628
 ACR  A3000 (-4.9A)
ACR  A3000 (-3.6A)
None
 0.37A 6fhwA-1ulvA:
33.6		 6fhwA-1ulvA:
6.85
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.
1ulv GLUCODEXTRANASE

(Arthrobacter
globiformis) 		PF00723
(Glyco_hydro_15)
PF09136
(Glucodextran_B)
PF09137
(Glucodextran_N)
PF09985
(Glucodextran_C) 		3 TRP A 655
GLU A 628
GLU A 430
 None
None
ACR  A3000 (-3.6A)
 0.85A 6fhwA-1ulvA:
33.6		 6fhwA-1ulvA:
6.85
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.
1uso HEPATOCYTE NUCLEAR
FACTOR 1-ALPHA

(Thermus
thermophilus) 		PF01329
(Pterin_4a) 		3 TRP A   3
GLU A   4
GLU A  54
 None
 1.01A 6fhwA-1usoA:
undetectable		 6fhwA-1usoA:
20.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y96 GEM-ASSOCIATED
PROTEIN 6

(Homo sapiens) 		PF06372
(Gemin6) 		3 TRP A   4
GLU A   3
GLU A  11
 None
 0.78A 6fhwA-1y96A:
undetectable		 6fhwA-1y96A:
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.
1yit 50S RIBOSOMAL
PROTEIN L37AE

(Haloarcula
marismortui) 		PF01780
(Ribosomal_L37ae) 		3 TRP Z  55
GLU Z  72
GLU Z  32
 None
 0.74A 6fhwA-1yitZ:
undetectable		 6fhwA-1yitZ:
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.
1yya TRIOSEPHOSPHATE
ISOMERASE

(Thermus
thermophilus) 		PF00121
(TIM) 		3 TRP A  10
GLU A 238
GLU A  18
 None
None
PO4  A2007 ( 4.5A)
 0.97A 6fhwA-1yyaA:
undetectable		 6fhwA-1yyaA:
16.80
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.
1zmb ACETYLXYLAN ESTERASE
RELATED ENZYME

(Clostridium
acetobutylicum) 		PF03629
(SASA) 		3 TRP A  38
GLU A 107
GLU A 101
 None
 1.00A 6fhwA-1zmbA:
undetectable		 6fhwA-1zmbA:
16.87
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.
2b5m DAMAGE-SPECIFIC DNA
BINDING PROTEIN 1

(Homo sapiens) 		PF03178
(CPSF_A)
PF10433
(MMS1_N) 		3 TRP A 893
GLU A 892
GLU A 896
 None
 0.95A 6fhwA-2b5mA:
undetectable		 6fhwA-2b5mA:
5.45
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.
2btm PROTEIN
(TRIOSEPHOSPHATE
ISOMERASE)

(Geobacillus
stearothermophilus) 		PF00121
(TIM) 		3 TRP A   9
GLU A 238
GLU A  17
 None
 0.72A 6fhwA-2btmA:
undetectable		 6fhwA-2btmA:
16.12
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.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		3 TRP A 209
GLU A 210
GLU A 456
 None
ACR  A 995 (-3.7A)
ACR  A 995 ( 4.6A)
 0.19A 6fhwA-2f6dA:
45.3		 6fhwA-2f6dA:
10.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f6d GLUCOAMYLASE GLU1

(Saccharomycopsis
fibuligera) 		PF00723
(Glyco_hydro_15) 		3 TRP A 473
GLU A 456
GLU A 210
 None
ACR  A 995 ( 4.6A)
ACR  A 995 (-3.7A)
 0.86A 6fhwA-2f6dA:
45.3		 6fhwA-2f6dA:
10.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2fko 173AA LONG
HYPOTHETICAL
FERRIPYOCHELIN
BINDING PROTEIN

(Pyrococcus
horikoshii) 		PF00132
(Hexapep) 		3 TRP A 151
GLU A 150
GLU A 157
 None
 0.94A 6fhwA-2fkoA:
undetectable		 6fhwA-2fkoA:
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.
2fvz INOSITOL
MONOPHOSPHATASE 2

(Homo sapiens) 		PF00459
(Inositol_P) 		3 TRP A  98
GLU A  68
GLU A  18
 None
 0.99A 6fhwA-2fvzA:
undetectable		 6fhwA-2fvzA:
14.81
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.
2i0k OXIDOREDUCTASE

(Brevibacterium
sterolicum) 		PF01565
(FAD_binding_4)
PF09129
(Chol_subst-bind) 		3 TRP A 314
GLU A 319
GLU A 460
 None
 0.72A 6fhwA-2i0kA:
undetectable		 6fhwA-2i0kA:
10.93
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.
2jcs DEOXYNUCLEOSIDE
KINASE

(Drosophila
melanogaster) 		PF01712
(dNK) 		3 TRP A  57
GLU A  55
GLU A 104
 None
None
MG  A1211 ( 2.9A)
 0.97A 6fhwA-2jcsA:
undetectable		 6fhwA-2jcsA:
13.76
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.
2jyn UPF0368 PROTEIN
YPL225W

(Saccharomyces
cerevisiae) 		PF04669
(Polysacc_synt_4) 		3 TRP A  85
GLU A  75
GLU A  61
 None
 0.81A 6fhwA-2jynA:
undetectable		 6fhwA-2jynA:
19.86
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.
2nv9 A207R PROTEIN,
ARGININE
DECARBOXYLASE

(Paramecium
bursaria
Chlorella virus
1) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		3 TRP A 350
GLU A 259
GLU A 296
 None
 0.68A 6fhwA-2nv9A:
undetectable		 6fhwA-2nv9A:
12.96
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.
2oiw PUTATIVE
4-HYDROXYBENZOYL-COA
THIOESTERASE

(Geobacillus
stearothermophilus) 		PF03061
(4HBT) 		3 TRP A 129
GLU A  76
GLU A  87
 None
 0.95A 6fhwA-2oiwA:
undetectable		 6fhwA-2oiwA:
17.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2om6 PROBABLE
PHOSPHOSERINE
PHOSPHATASE

(Pyrococcus
horikoshii) 		PF13419
(HAD_2) 		3 TRP A 198
GLU A 176
GLU A 214
 None
 0.85A 6fhwA-2om6A:
undetectable		 6fhwA-2om6A:
16.31
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.
2otl 50S RIBOSOMAL
PROTEIN L37AE

(Haloarcula
marismortui) 		PF01780
(Ribosomal_L37ae) 		3 TRP Z  55
GLU Z  72
GLU Z  32
 None
 0.83A 6fhwA-2otlZ:
undetectable		 6fhwA-2otlZ:
26.58
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.
2ppq HOMOSERINE KINASE

(Agrobacterium
fabrum) 		PF01636
(APH) 		3 TRP A 152
GLU A 157
GLU A 168
 None
 0.98A 6fhwA-2ppqA:
undetectable		 6fhwA-2ppqA:
13.71
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.
2qq6 MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Rubrobacter
xylanophilus) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 TRP A 238
GLU A 241
GLU A 341
 None
 0.96A 6fhwA-2qq6A:
undetectable		 6fhwA-2qq6A:
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.
2rdy BH0842 PROTEIN

(Bacillus
halodurans) 		PF14498
(Glyco_hyd_65N_2) 		3 TRP A 380
GLU A 459
GLU A 692
 None
 1.02A 6fhwA-2rdyA:
7.3		 6fhwA-2rdyA:
7.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		3 TRP A 178
GLU A 179
GLU A 404
 None
BTB  A 620 (-3.6A)
BTB  A 620 (-4.0A)
 0.39A 6fhwA-2vn7A:
57.8		 6fhwA-2vn7A:
9.38
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.
2vn7 GLUCOAMYLASE

(Trichoderma
reesei) 		PF00686
(CBM_20)
PF00723
(Glyco_hydro_15) 		3 TRP A 421
GLU A 404
GLU A 179
 None
BTB  A 620 (-4.0A)
BTB  A 620 (-3.6A)
 0.90A 6fhwA-2vn7A:
57.8		 6fhwA-2vn7A:
9.38
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.
2wzs PUTATIVE
ALPHA-1,2-MANNOSIDAS
E

(Bacteroides
thetaiotaomicron) 		PF07971
(Glyco_hydro_92) 		3 TRP A 527
GLU A 533
GLU A 588
 None
MVL  A 801 (-3.0A)
None
 0.92A 6fhwA-2wzsA:
6.3		 6fhwA-2wzsA:
8.62
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.
2yr0 HYPOTHETICAL PROTEIN
TTHA0223

(Thermus
thermophilus) 		PF08241
(Methyltransf_11) 		3 TRP A 198
GLU A 252
GLU A 194
 None
 0.62A 6fhwA-2yr0A:
undetectable		 6fhwA-2yr0A:
17.45
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.
2yul TRANSCRIPTION FACTOR
SOX-17

(Homo sapiens) 		PF00505
(HMG_box) 		3 TRP A  46
GLU A  22
GLU A  53
 None
 0.89A 6fhwA-2yulA:
undetectable		 6fhwA-2yulA:
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.
3bby UNCHARACTERIZED
GST-LIKE PROTEIN
YFCF

(Escherichia
coli) 		PF13417
(GST_N_3)
PF14834
(GST_C_4) 		3 TRP A 164
GLU A 163
GLU A  89
 None
None
CA  A 216 (-3.2A)
 0.74A 6fhwA-3bbyA:
3.2		 6fhwA-3bbyA:
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.
3bt7 TRNA
(URACIL-5-)-METHYLTR
ANSFERASE

(Escherichia
coli) 		PF05958
(tRNA_U5-meth_tr) 		3 TRP A 132
GLU A 135
GLU A 137
 None
 0.98A 6fhwA-3bt7A:
undetectable		 6fhwA-3bt7A:
11.27
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.
3ccu 50S RIBOSOMAL
PROTEIN L37AE

(Haloarcula
marismortui) 		PF01780
(Ribosomal_L37ae) 		3 TRP Z  79
GLU Z  96
GLU Z  56
 None
 0.71A 6fhwA-3ccuZ:
undetectable		 6fhwA-3ccuZ:
18.10
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.
3cpw 50S RIBOSOMAL
PROTEIN L37AE

(Haloarcula
marismortui) 		PF01780
(Ribosomal_L37ae) 		3 TRP Y  55
GLU Y  72
GLU Y  32
 None
 0.78A 6fhwA-3cpwY:
undetectable		 6fhwA-3cpwY:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3czp PUTATIVE
POLYPHOSPHATE KINASE
2

(Pseudomonas
aeruginosa) 		PF03976
(PPK2) 		3 TRP A 151
GLU A   6
GLU A 195
 None
 1.01A 6fhwA-3czpA:
undetectable		 6fhwA-3czpA:
10.08
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.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		3 TRP A 202
GLU A 203
GLU A 424
 None
TRS  A 701 ( 3.8A)
None
 0.19A 6fhwA-3eqaA:
61.7		 6fhwA-3eqaA:
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.
3eqa GLUCOAMYLASE

(Aspergillus
niger) 		PF00723
(Glyco_hydro_15) 		3 TRP A 441
GLU A 424
GLU A 203
 None
None
TRS  A 701 ( 3.8A)
 0.87A 6fhwA-3eqaA:
61.7		 6fhwA-3eqaA:
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.
3fsg ALPHA/BETA
SUPERFAMILY
HYDROLASE

(Oenococcus oeni) 		PF12697
(Abhydrolase_6) 		3 TRP A 165
GLU A 145
GLU A 148
 None
 1.01A 6fhwA-3fsgA:
undetectable		 6fhwA-3fsgA:
17.95
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.
3gr5 ESCC

(Escherichia
coli) 		no annotation 3 TRP A  91
GLU A  81
GLU A  25
 None
 0.97A 6fhwA-3gr5A:
undetectable		 6fhwA-3gr5A:
16.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7j BACILYSIN
BIOSYNTHESIS PROTEIN
BACB

(Bacillus
subtilis) 		PF07883
(Cupin_2) 		3 TRP A  20
GLU A  21
GLU A  48
 None
 0.82A 6fhwA-3h7jA:
undetectable		 6fhwA-3h7jA:
15.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hj4 MINOR
EDITOSOME-ASSOCIATED
TUTASE

(Trypanosoma
brucei) 		no annotation 3 TRP A 296
GLU A 297
GLU A 311
 None
 1.01A 6fhwA-3hj4A:
undetectable		 6fhwA-3hj4A:
12.01
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.
3j93 NEUTRALIZING
ANTIBODY 22A12,
HEAVY CHAIN

(Mus musculus) 		PF07654
(C1-set)
PF07686
(V-set) 		3 TRP H  47
GLU H  46
GLU H  62
 None
 1.02A 6fhwA-3j93H:
2.9		 6fhwA-3j93H:
20.10
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.
3jys SUSD SUPERFAMILY
PROTEIN

(Bacteroides
vulgatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		3 TRP A  86
GLU A 477
GLU A  95
 None
 0.93A 6fhwA-3jysA:
2.5		 6fhwA-3jysA:
11.93
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.
3k8p PROTEIN TRANSPORT
PROTEIN SEC39

(Saccharomyces
cerevisiae) 		PF08314
(Sec39) 		3 TRP D 185
GLU D 184
GLU D 192
 None
 0.85A 6fhwA-3k8pD:
5.2		 6fhwA-3k8pD:
7.36
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.
3krz NADH:FLAVIN
OXIDOREDUCTASE/NADH
OXIDASE

(Thermoanaerobacter
pseudethanolicus) 		PF00724
(Oxidored_FMN) 		3 TRP A  75
GLU A  62
GLU A 113
 None
 0.96A 6fhwA-3krzA:
undetectable		 6fhwA-3krzA:
14.02
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.
3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Paenibacillus
sp. Y412MC10) 		PF13378
(MR_MLE_C) 		3 TRP A 231
GLU A 234
GLU A 336
 None
TAR  A 503 ( 3.0A)
TAR  A 504 (-3.2A)
 0.94A 6fhwA-3opsA:
undetectable		 6fhwA-3opsA:
12.27
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.
3q08 CHLORITE DISMUTASE

(Dechloromonas
aromatica) 		PF06778
(Chlor_dismutase) 		3 TRP A 155
GLU A 154
GLU A 162
 HEM  A1000 ( 4.7A)
None
None
 0.83A 6fhwA-3q08A:
undetectable		 6fhwA-3q08A:
17.03
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.
3qkw NUCLEOTIDE SUGAR
SYNTHETASE-LIKE
PROTEIN

(Streptococcus
parasanguinis) 		no annotation 3 TRP A 186
GLU A 185
GLU A 282
 None
 1.00A 6fhwA-3qkwA:
undetectable		 6fhwA-3qkwA:
15.77
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.
3r64 NAD DEPENDENT
BENZALDEHYDE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00171
(Aldedh) 		3 TRP A  66
GLU A  65
GLU A  73
 TRP  A  66 ( 0.5A)
GLU  A  65 ( 0.6A)
GLU  A  73 ( 0.6A)
 0.68A 6fhwA-3r64A:
undetectable		 6fhwA-3r64A:
9.38
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.
3rcy MANDELATE
RACEMASE/MUCONATE
LACTONIZING
ENZYME-LIKE PROTEIN

(Roseovarius sp.
TM1035) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 TRP A 232
GLU A 235
GLU A 335
 None
 0.97A 6fhwA-3rcyA:
undetectable		 6fhwA-3rcyA:
12.68
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.
3t4w MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Sulfitobacter
sp. NAS-14.1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 TRP A 232
GLU A 235
GLU A 335
 None
 1.02A 6fhwA-3t4wA:
undetectable		 6fhwA-3t4wA:
11.91
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.
3toy MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME
FAMILY PROTEIN

(Bradyrhizobium
sp. ORS 278) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 TRP A 220
GLU A 223
GLU A 318
 None
None
ACT  A 362 ( 4.7A)
 0.99A 6fhwA-3toyA:
undetectable		 6fhwA-3toyA:
11.72
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.
3ugv ENOLASE

(alpha
proteobacterium
BAL199) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 TRP A 226
GLU A 229
GLU A 324
 None
 0.95A 6fhwA-3ugvA:
undetectable		 6fhwA-3ugvA:
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.
3w8s GLUTATHIONE
S-TRANSFERASE-3

(Necator
americanus) 		PF02798
(GST_N)
PF14497
(GST_C_3) 		3 TRP A  39
GLU A  38
GLU A  45
 GSH  A 301 (-3.9A)
GOL  A 303 ( 4.7A)
None
 0.75A 6fhwA-3w8sA:
undetectable		 6fhwA-3w8sA:
15.24
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.
4cxk ARYLSULFATASE

(Pseudomonas
aeruginosa) 		PF00884
(Sulfatase) 		3 TRP A 265
GLU A 264
GLU A 272
 None
 0.91A 6fhwA-4cxkA:
undetectable		 6fhwA-4cxkA:
10.88
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.
4e4u MANDALATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(unidentified) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 TRP A 231
GLU A 234
GLU A 334
 None
 0.96A 6fhwA-4e4uA:
undetectable		 6fhwA-4e4uA:
12.86
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.
4e5t MANDELATE RACEMASE /
MUCONATE LACTONIZING
ENZYME, C-TERMINAL
DOMAIN PROTEIN

(Labrenzia
alexandrii) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 TRP A 237
GLU A 240
GLU A 340
 None
 0.98A 6fhwA-4e5tA:
undetectable		 6fhwA-4e5tA:
11.60
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.
4ege DIPEPTIDASE PEPE

(Mycobacterium
ulcerans) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		3 TRP A  90
GLU A  71
GLU A  50
 None
ZN  A 417 (-2.3A)
ZN  A 414 (-2.2A)
 0.81A 6fhwA-4egeA:
undetectable		 6fhwA-4egeA:
13.66
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.
4fkm SIMILAR TO FERRIC
HYDROXAMATE RECEPTOR
1

(Staphylococcus
aureus) 		PF01497
(Peripla_BP_2) 		3 TRP A 155
GLU A 160
GLU A 140
 MLY  A 156 ( 4.2A)
MLY  A 156 ( 3.8A)
MLY  A 156 ( 3.5A)
 0.93A 6fhwA-4fkmA:
undetectable		 6fhwA-4fkmA:
15.00
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.
4hz8 BETA-GLUCOSIDASE

(uncultured
bacterium) 		PF00232
(Glyco_hydro_1) 		3 TRP A 119
GLU A 182
GLU A 168
 None
 1.00A 6fhwA-4hz8A:
undetectable		 6fhwA-4hz8A:
12.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4idj FAB HEAVY CHAIN
FAB LIGHT CHAIN

(Homo sapiens) 		PF07654
(C1-set)
PF07686
(V-set) 		3 TRP H  47
GLU H  46
GLU L   1
 None
 1.01A 6fhwA-4idjH:
3.9		 6fhwA-4idjH:
17.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4j3z MANDELATE
RACEMASE/MUCONATE
LACTONIZING ENZYME

(Jannaschia sp.
CCS1) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		3 TRP A 233
GLU A 236
GLU A 335
 None
 0.99A 6fhwA-4j3zA:
undetectable		 6fhwA-4j3zA:
12.32
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.
4k0x BETA-LACTAMASE

(Acinetobacter
baumannii) 		PF00905
(Transpeptidase) 		3 TRP A 219
GLU A 249
GLU A 253
 None
 0.92A 6fhwA-4k0xA:
undetectable		 6fhwA-4k0xA:
14.81
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.
4p0f SERINE PROTEASE
INHIBITOR 4, ISOFORM
B

(Drosophila
melanogaster) 		PF00079
(Serpin) 		3 TRP A 174
GLU A 325
GLU A 322
 None
 0.92A 6fhwA-4p0fA:
undetectable		 6fhwA-4p0fA:
11.69
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.
4pfr TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Rhodobacter
sphaeroides) 		PF03480
(DctP) 		3 TRP A 316
GLU A 315
GLU A 322
 None
 1.02A 6fhwA-4pfrA:
undetectable		 6fhwA-4pfrA:
16.35
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.
4pz2 ZMALDH

(Zea mays) 		PF00171
(Aldedh) 		3 TRP A  91
GLU A  90
GLU A  98
 None
 0.91A 6fhwA-4pz2A:
undetectable		 6fhwA-4pz2A:
9.65
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.
4r0k DIPEPTIDYL-PEPTIDASE
VI

(Bacteroides
thetaiotaomicron) 		PF00877
(NLPC_P60) 		3 TRP A 100
GLU A  99
GLU A 138
 None
 0.83A 6fhwA-4r0kA:
undetectable		 6fhwA-4r0kA:
14.84
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.
4tma DNA GYRASE INHIBITOR
YACG
DNA GYRASE SUBUNIT B

(Escherichia
coli) 		PF00986
(DNA_gyraseB_C)
PF01751
(Toprim)
PF03884
(YacG) 		3 TRP I  18
GLU I  20
GLU B 520
 None
 0.87A 6fhwA-4tmaI:
undetectable		 6fhwA-4tmaI:
20.51
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.
4u1f EUKARYOTIC
TRANSLATION
INITIATION FACTOR 3
SUBUNIT B

(Saccharomyces
cerevisiae) 		PF08662
(eIF2A) 		3 TRP A 455
GLU A 456
GLU A 409
 None
 0.99A 6fhwA-4u1fA:
undetectable		 6fhwA-4u1fA:
10.74
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.
4uer EIF3B

(Lachancea
kluyveri) 		PF00318
(Ribosomal_S2) 		3 TRP b 521
GLU b 522
GLU b 475
 None
 1.01A 6fhwA-4uerb:
undetectable		 6fhwA-4uerb:
7.63
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.
4v15 D-THREONINE ALDOLASE

(Achromobacter
xylosoxidans) 		PF01168
(Ala_racemase_N)
PF14031
(D-ser_dehydrat) 		3 TRP A 265
GLU A 264
GLU A 237
 None
 0.81A 6fhwA-4v15A:
undetectable		 6fhwA-4v15A:
13.51
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.
4xqk LLABIII

(Lactococcus
lactis) 		PF00271
(Helicase_C)
PF02384
(N6_Mtase)
PF04851
(ResIII)
PF13156
(Mrr_cat_2) 		3 TRP A1276
GLU A1028
GLU A1285
 None
 0.92A 6fhwA-4xqkA:
undetectable		 6fhwA-4xqkA:
5.77
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.
5cde PROLINE DIPEPTIDASE

(Xanthomonas
campestris) 		PF00557
(Peptidase_M24)
PF01321
(Creatinase_N) 		3 TRP A 109
GLU A  92
GLU A  71
 None
 0.80A 6fhwA-5cdeA:
undetectable		 6fhwA-5cdeA:
13.33
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.
5d6o HOMOSERINE
O-ACETYLTRANSFERASE

(Corynebacterium
glutamicum) 		PF00561
(Abhydrolase_1) 		3 TRP A 224
GLU A 227
GLU A 238
 None
GOL  A 405 (-3.2A)
None
 0.48A 6fhwA-5d6oA:
undetectable		 6fhwA-5d6oA:
12.61
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.
5fly FERRICHROME-BINDING
PERIPLASMIC PROTEIN

(Staphylococcus
pseudintermedius) 		PF01497
(Peripla_BP_2) 		3 TRP A 133
GLU A 138
GLU A 118
 None
 0.99A 6fhwA-5flyA:
undetectable		 6fhwA-5flyA:
15.25
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.
5lhs UROKINASE-TYPE
PLASMINOGEN
ACTIVATOR

(Mus musculus) 		no annotation 3 TRP B  29
GLU B  25
GLU B 137
 None
 0.87A 6fhwA-5lhsB:
undetectable		 6fhwA-5lhsB:
14.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vxz GROWTH
ARREST-SPECIFIC
PROTEIN 6

(Homo sapiens) 		PF00054
(Laminin_G_1)
PF02210
(Laminin_G_2) 		3 TRP A 505
GLU A 506
GLU A 585
 None
 0.79A 6fhwA-5vxzA:
undetectable		 6fhwA-5vxzA:
11.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5w99 PBTD

(Planobispora
rosea) 		no annotation 3 TRP A 197
GLU A 198
GLU A 184
 None
 0.99A 6fhwA-5w99A:
undetectable		 6fhwA-5w99A:
22.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5whz ANTI-HIV CODV-FAB
HEAVY CHAIN

(Homo sapiens) 		no annotation 3 TRP H  47
GLU H  46
GLU H  64
 None
 0.74A 6fhwA-5whzH:
3.9		 6fhwA-5whzH:
12.02
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.
5wmm NRPS

(Micromonospora
sp. ML1) 		no annotation 3 TRP A 505
GLU A 716
GLU A 683
 None
 1.01A 6fhwA-5wmmA:
undetectable		 6fhwA-5wmmA:
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.
5x0t 6H8 FAB FRAGMENT
HEAVY CHAIN

(Mus musculus) 		no annotation 3 TRP A  66
GLU A  65
GLU A  83
 None
 0.84A 6fhwA-5x0tA:
3.9		 6fhwA-5x0tA:
20.24
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.
6amw TYROSINE-PROTEIN
KINASE ABL1

(Homo sapiens) 		PF00017
(SH2)
PF00018
(SH3_1) 		3 TRP A 129
GLU A 117
GLU A  57
 None
 0.97A 6fhwA-6amwA:
undetectable		 6fhwA-6amwA:
17.25
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.
6c0e ISOCITRATE
DEHYDROGENASE

(Legionella
pneumophila) 		no annotation 3 TRP A 250
GLU A 210
GLU A 163
 None
 0.96A 6fhwA-6c0eA:
undetectable		 6fhwA-6c0eA:
18.07
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.
6dbr -

(-) 		no annotation 3 TRP B 307
GLU B 286
GLU B 303
 None
 0.99A 6fhwA-6dbrB:
undetectable		 6fhwA-6dbrB:
undetectable
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 3 TRP A 212
GLU A 213
GLU A 436
 None
B3P  A 652 (-3.7A)
B3P  A 652 ( 4.6A)
 0.26A 6fhwA-6fhvA:
59.3		 6fhwA-6fhvA:
35.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6fhv GLUCOAMYLASE

(Penicillium
oxalicum) 		no annotation 3 TRP A 453
GLU A 436
GLU A 213
 None
B3P  A 652 ( 4.6A)
B3P  A 652 (-3.7A)
 0.87A 6fhwA-6fhvA:
59.3		 6fhwA-6fhvA:
35.53
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 3 TRP A 202
GLU A 203
GLU A 424
 None
 0.25A 6fhwA-6frvA:
60.8		 6fhwA-6frvA:
41.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6frv GLUCOAMYLASE

(Aspergillus
niger) 		no annotation 3 TRP A 441
GLU A 424
GLU A 203
 None
 0.84A 6fhwA-6frvA:
60.8		 6fhwA-6frvA:
41.25