SIMILAR PATTERNS OF AMINO ACIDS FOR 6GNF_A_QPSA602

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.
1ajz DIHYDROPTEROATE
SYNTHASE

(Escherichia
coli) 		PF00809
(Pterin_bind) 		5 VAL A  82
ASP A 258
HIS A  43
ASN A  22
ARG A 255
 None
None
None
SO4  A 283 (-3.4A)
SO4  A 283 (-3.1A)
 1.34A 6gnfA-1ajzA:
2.9		 6gnfA-1ajzA:
18.08
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.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		5 VAL A 160
ASN A 421
ASN A 506
PRO A 503
GLY A  54
 None
 1.34A 6gnfA-1b2hA:
undetectable		 6gnfA-1b2hA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1b2h PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN

(Salmonella
enterica) 		PF00496
(SBP_bac_5) 		5 VAL A 160
ASP A 459
ASN A 421
ASN A 506
PRO A 503
 None
U1  A 521 ( 4.3A)
None
None
None
 1.29A 6gnfA-1b2hA:
undetectable		 6gnfA-1b2hA:
23.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		7 ASP A 259
ASP A 307
HIS A 309
ASN A 449
ARG A 534
GLU A 637
GLY A 640
 GLC  A 995 ( 4.4A)
GLC  A 997 (-3.6A)
GLC  A 996 (-4.0A)
GLC  A 998 (-3.3A)
GLC  A 996 (-4.1A)
GLC  A 998 (-3.6A)
PLP  A 999 ( 3.2A)
 0.80A 6gnfA-1e4oA:
24.1		 6gnfA-1e4oA:
22.03
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.
1g38 MODIFICATION
METHYLASE TAQI

(Thermus
aquaticus) 		PF07669
(Eco57I)
PF12950
(TaqI_C) 		5 VAL A 121
ASP A  89
PHE A  90
PRO A 107
GLY A 109
 None
NEA  A 500 (-3.4A)
None
NEA  A 500 (-3.8A)
None
 1.46A 6gnfA-1g38A:
undetectable		 6gnfA-1g38A:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jd0 CARBONIC ANHYDRASE
XII

(Homo sapiens) 		PF00194
(Carb_anhydrase) 		5 VAL A 143
ARG A 246
GLN A  28
PRO A 205
GLY A 196
 AZM  A1400 ( 4.9A)
None
None
None
None
 1.44A 6gnfA-1jd0A:
undetectable		 6gnfA-1jd0A:
20.12
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.
1led WEST-CENTRAL AFRICAN
LEGUME LECTIN IV

(Griffonia
simplicifolia) 		PF00139
(Lectin_legB) 		5 ASP A  89
ASN A  82
ARG A  48
PRO A  86
GLY A  84
 GAL  A 253 ( 2.8A)
None
FUC  A 254 ( 4.2A)
None
None
 1.20A 6gnfA-1ledA:
undetectable		 6gnfA-1ledA:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1odu PUTATIVE
ALPHA-L-FUCOSIDASE

(Thermotoga
maritima) 		PF01120
(Alpha_L_fucos) 		5 ASN A  62
PHE A  59
ASN A 293
GLU A  66
GLY A 291
 None
None
None
FUL  A1448 (-3.3A)
None
 1.15A 6gnfA-1oduA:
2.0		 6gnfA-1oduA:
21.66
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 VAL A  22
ASN A 246
GLU A 376
PRO A 377
GLY A 379
 None
 0.66A 6gnfA-1rzvA:
40.7		 6gnfA-1rzvA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 VAL A  22
ASP A 103
ASP A 138
PHE A 167
ASN A 246
 None
 0.63A 6gnfA-1rzvA:
40.7		 6gnfA-1rzvA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 VAL A  22
ASP A 138
PHE A 167
ASN A 246
PRO A 377
 None
 0.88A 6gnfA-1rzvA:
40.7		 6gnfA-1rzvA:
33.33
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		5 ASP A 283
ASP A 339
HIS A 341
ARG A 569
GLU A 672
 None
None
None
PO4  A1900 (-3.7A)
None
 0.86A 6gnfA-1ygpA:
20.6		 6gnfA-1ygpA:
20.74
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		6 ASP A 283
ASP A 339
HIS A 341
ASN A 484
ARG A 569
GLY A 675
 None
None
None
None
PO4  A1900 (-3.7A)
PLP  A 860 ( 4.1A)
 0.83A 6gnfA-1ygpA:
20.6		 6gnfA-1ygpA:
20.74
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.
1ym5 HYPOTHETICAL 32.6
KDA PROTEIN IN
DAP2-SLT2 INTERGENIC
REGION

(Saccharomyces
cerevisiae) 		PF02567
(PhzC-PhzF) 		5 ASP A  11
ASN A  21
GLU A 254
PRO A 225
GLY A 255
 None
 1.44A 6gnfA-1ym5A:
undetectable		 6gnfA-1ym5A:
18.51
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.
1z3d UBIQUITIN-CONJUGATIN
G ENZYME E2 1

(Caenorhabditis
elegans) 		PF00179
(UQ_con) 		5 VAL A 141
ASP A  90
GLN A 110
PRO A  43
GLY A  51
 None
 1.45A 6gnfA-1z3dA:
undetectable		 6gnfA-1z3dA:
14.77
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.
2bk0 MAJOR ALLERGEN API G
1

(Apium
graveolens) 		PF00407
(Bet_v_1) 		5 VAL A  24
ASP A  82
HIS A 101
PRO A  50
GLY A  48
 None
 1.48A 6gnfA-2bk0A:
undetectable		 6gnfA-2bk0A:
15.90
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.
2bra NEDD9 INTERACTING
PROTEIN WITH
CALPONIN HOMOLOGY
AND LIM DOMAINS

(Mus musculus) 		PF01494
(FAD_binding_3) 		5 VAL A 391
ASP A 289
ARG A 121
GLU A 114
GLY A  91
 None
None
FAD  A1485 (-2.5A)
FAD  A1485 (-2.5A)
FAD  A1485 (-3.3A)
 1.47A 6gnfA-2braA:
3.3		 6gnfA-2braA:
23.08
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 ASP A 248
ASP A 296
HIS A 298
ASN A 437
GLU A 626
 None
None
None
FMT  A1799 (-3.5A)
None
 1.01A 6gnfA-2c4mA:
23.0		 6gnfA-2c4mA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		5 ASP A 339
HIS A 341
ASN A 484
GLU A 672
GLY A 675
 None
None
None
PLR  A 940 ( 4.5A)
PLR  A 940 (-3.3A)
 0.77A 6gnfA-2gj4A:
21.6		 6gnfA-2gj4A:
21.75
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hp3 IDS-EPIMERASE

(Agrobacterium
tumefaciens) 		PF03972
(MmgE_PrpD) 		5 VAL A  79
ARG A  70
GLN A 445
PRO A 446
GLY A  66
 None
None
None
None
EDO  A1016 (-3.7A)
 1.46A 6gnfA-2hp3A:
undetectable		 6gnfA-2hp3A:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2htv NEURAMINIDASE

(Influenza A
virus) 		PF00064
(Neur) 		5 VAL A 114
ARG A 156
GLU A 425
PRO A 120
GLY A 441
 None
 1.46A 6gnfA-2htvA:
undetectable		 6gnfA-2htvA:
20.66
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.
2p8u HYDROXYMETHYLGLUTARY
L-COA SYNTHASE,
CYTOPLASMIC

(Homo sapiens) 		PF01154
(HMG_CoA_synt_N)
PF08540
(HMG_CoA_synt_C) 		5 VAL A 337
ASP A  40
PHE A 423
PRO A  27
GLY A 175
 None
 1.24A 6gnfA-2p8uA:
undetectable		 6gnfA-2p8uA:
23.63
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.
2xq1 PEROXISOMAL CATALASE

(Ogataea angusta) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 VAL A 232
HIS A 225
ASN A 234
GLN A 185
GLY A 194
 None
 1.16A 6gnfA-2xq1A:
undetectable		 6gnfA-2xq1A:
23.03
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.
2xq1 PEROXISOMAL CATALASE

(Ogataea angusta) 		PF00199
(Catalase)
PF06628
(Catalase-rel) 		5 VAL A 232
HIS A 295
ASN A 234
GLN A 185
GLY A 194
 None
 1.17A 6gnfA-2xq1A:
undetectable		 6gnfA-2xq1A:
23.03
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.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		5 ASP A 339
HIS A 341
ASN A 484
GLU A 672
GLY A 675
 None
None
NBG  A   1 (-3.3A)
NBG  A   1 (-3.5A)
PLP  A 832 ( 3.3A)
 0.77A 6gnfA-3cemA:
22.9		 6gnfA-3cemA:
22.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d1j GLYCOGEN SYNTHASE

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 VAL A  22
ASP A 137
HIS A 139
ASN A 246
GLY A 380
 None
 0.89A 6gnfA-3d1jA:
41.2		 6gnfA-3d1jA:
30.80
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.
3ddu PROLYL ENDOPEPTIDASE

(Homo sapiens) 		PF00326
(Peptidase_S9)
PF02897
(Peptidase_S9_N) 		5 ASN A 205
ARG A 170
GLN A 193
GLU A 201
GLY A 199
 None
 1.28A 6gnfA-3dduA:
5.4		 6gnfA-3dduA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dmk DOWN SYNDROME CELL
ADHESION MOLECULE
(DSCAM) ISOFORM
1.30.30, N-TERMINAL
EIGHT IG DOMAINS

(Drosophila
melanogaster) 		PF07679
(I-set)
PF13927
(Ig_3) 		5 VAL A 373
ASP A  15
HIS A  97
PRO A 336
GLY A 334
 None
 1.49A 6gnfA-3dmkA:
undetectable		 6gnfA-3dmkA:
21.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 ASP A 128
HIS A 130
ASN A 217
GLU A 339
PRO A 340
 GOL  A6500 (-3.2A)
GOL  A6502 ( 3.8A)
None
K  A5600 (-4.0A)
K  A5600 ( 4.8A)
 0.73A 6gnfA-3l01A:
33.9		 6gnfA-3l01A:
28.10
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.
3o8o 6-PHOSPHOFRUCTOKINAS
E SUBUNIT ALPHA
6-PHOSPHOFRUCTOKINAS
E SUBUNIT BETA

(Saccharomyces
cerevisiae) 		PF00365
(PFK) 		5 PHE A 762
ASN B 602
GLN B 856
PRO B 597
GLY B 599
 None
None
FDP  B   2 (-3.6A)
None
None
 1.22A 6gnfA-3o8oA:
undetectable		 6gnfA-3o8oA:
21.49
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		10 VAL A 104
ASP A 234
HIS A 236
ASN A 265
ASN A 353
ARG A 408
GLN A 412
GLU A 485
PRO A 486
GLY A 488
 None
None
None
SO4  A 704 ( 4.2A)
None
SO4  A 704 (-3.7A)
SO4  A 704 ( 3.7A)
None
None
None
 0.56A 6gnfA-3vueA:
48.7		 6gnfA-3vueA:
43.94
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.
4a2l TWO-COMPONENT SYSTEM
SENSOR HISTIDINE
KINASE/RESPONSE

(Bacteroides
thetaiotaomicron) 		PF07494
(Reg_prop)
PF07495
(Y_Y_Y) 		5 VAL A 587
ASP A 376
ASN A 585
GLN A 627
GLY A 606
 None
 1.44A 6gnfA-4a2lA:
undetectable		 6gnfA-4a2lA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		5 ASP A 288
ASP A 341
HIS A 343
ARG A 573
GLU A 679
 None
 0.78A 6gnfA-4bqiA:
22.8		 6gnfA-4bqiA:
22.10
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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		5 ASP A 288
ASP A 341
HIS A 343
ASN A 487
ARG A 573
 None
 0.89A 6gnfA-4bqiA:
22.8		 6gnfA-4bqiA:
22.10
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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		5 ASP A 341
HIS A 343
ASN A 487
ARG A 573
GLY A 682
 None
None
None
None
PLP  A 901 (-3.5A)
 0.76A 6gnfA-4bqiA:
22.8		 6gnfA-4bqiA:
22.10
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.
4fio METHENYLTETRAHYDROME
THANOPTERIN
CYCLOHYDROLASE

(Methanobrevibacter
ruminantium) 		PF02289
(MCH) 		5 ASP A 275
ASP A 230
ASN A 229
PHE A 269
GLU A 142
 None
None
IPA  A 402 (-4.1A)
None
None
 1.33A 6gnfA-4fioA:
undetectable		 6gnfA-4fioA:
23.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4hln STARCH SYNTHASE I

(Hordeum vulgare) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 ASN A 373
GLN A 431
GLU A 504
PRO A 505
GLY A 507
 None
 1.36A 6gnfA-4hlnA:
37.6		 6gnfA-4hlnA:
34.39
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.
4hyr GLUCARATE
DEHYDRATASE

(Acidaminococcus
intestini) 		PF13378
(MR_MLE_C) 		5 VAL A  50
ASP A 257
ASP A 309
HIS A 335
GLY A 105
 None
 1.46A 6gnfA-4hyrA:
undetectable		 6gnfA-4hyrA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENB

(Yersinia
entomophaga) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 HIS A 320
ASN A 339
PHE A  45
ASN A1210
GLN A 359
 None
 1.47A 6gnfA-4iglA:
undetectable		 6gnfA-4iglA:
16.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4igl YENC2

(Yersinia
entomophaga) 		no annotation 5 VAL B 677
ARG B 411
GLN B 388
PRO B 654
GLY B 657
 None
 1.16A 6gnfA-4iglB:
undetectable		 6gnfA-4iglB:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k2x POLYKETIDE
OXYGENASE/HYDROXYLAS
E

(Streptomyces
rimosus) 		PF01494
(FAD_binding_3) 		5 ASP A 182
PHE A  40
GLN A  99
PRO A  98
GLY A  45
 None
None
FAD  A 601 (-3.2A)
None
FAD  A 601 ( 4.8A)
 1.32A 6gnfA-4k2xA:
undetectable		 6gnfA-4k2xA:
25.89
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.
4mx6 TRAP-TYPE
C4-DICARBOXYLATE:H+
SYMPORT SYSTEM
SUBSTRATE-BINDING
COMPONENT DCTP

(Shewanella
oneidensis) 		PF03480
(DctP) 		5 VAL A 248
ASP A 245
ASN A 156
PRO A  50
GLY A  52
 None
 1.01A 6gnfA-4mx6A:
undetectable		 6gnfA-4mx6A:
22.58
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.
4o7m TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT

(Shewanella
loihica) 		PF03480
(DctP) 		5 VAL A 245
ASP A 242
ASN A 153
PRO A  47
GLY A  49
 None
 1.04A 6gnfA-4o7mA:
undetectable		 6gnfA-4o7mA:
22.69
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		5 VAL A2178
ARG A1911
GLN A1890
PRO A2155
GLY A2158
 None
 1.25A 6gnfA-4o9xA:
undetectable		 6gnfA-4o9xA:
14.25
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.
4pxd ALLANTOATE
AMIDOHYDROLASE

(Escherichia
coli) 		PF01546
(Peptidase_M20) 		5 VAL A  59
ASP A 320
ASN A 146
PRO A 176
GLY A 143
 None
 1.45A 6gnfA-4pxdA:
3.2		 6gnfA-4pxdA:
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.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		5 VAL A  63
ASN A 298
GLU A 531
PRO A 532
GLY A 534
 None
 0.93A 6gnfA-4qlbA:
18.4		 6gnfA-4qlbA:
21.55
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.
4rnw NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 ASP A  10
ASN A   9
PHE A  11
PRO A 389
GLY A  24
 None
None
None
None
FMN  A 401 (-3.3A)
 1.30A 6gnfA-4rnwA:
undetectable		 6gnfA-4rnwA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rnw NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 VAL A  32
ASN A   9
PHE A  11
PRO A 389
GLY A  24
 None
None
None
None
FMN  A 401 (-3.3A)
 1.35A 6gnfA-4rnwA:
undetectable		 6gnfA-4rnwA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rnx NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 ASP A 159
ASN A 158
PHE A 160
PRO A 139
GLY A 173
 None
None
None
None
FMN  A 501 (-3.6A)
 1.35A 6gnfA-4rnxA:
undetectable		 6gnfA-4rnxA:
22.26
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4txk PROTEIN-METHIONINE
SULFOXIDE OXIDASE
MICAL1

(Mus musculus) 		PF00307
(CH)
PF01494
(FAD_binding_3) 		5 VAL A 391
ASP A 289
ARG A 121
GLU A 114
GLY A  91
 None
None
FAD  A 702 (-2.8A)
FAD  A 702 (-2.7A)
FAD  A 702 (-3.3A)
 1.49A 6gnfA-4txkA:
3.6		 6gnfA-4txkA:
23.53
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xsr ALR3699 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 ASN B 174
ARG B 208
GLU B 288
PRO B 289
GLY B 291
 UPG  B 403 (-3.2A)
UPG  B 403 (-3.6A)
UPG  B 403 (-3.5A)
UPG  B 403 (-3.4A)
UPG  B 403 (-3.7A)
 0.86A 6gnfA-4xsrB:
12.8		 6gnfA-4xsrB:
24.50
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.
4ync NADPH DEHYDROGENASE
1

(Saccharomyces
pastorianus) 		PF00724
(Oxidored_FMN) 		5 ASP A 310
ASN A 309
PHE A 311
PRO A 290
GLY A 324
 CL  A 403 ( 4.0A)
None
None
None
FMN  A 401 (-3.7A)
 1.35A 6gnfA-4yncA:
undetectable		 6gnfA-4yncA:
22.49
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.
5c92 KELCH
DOMAIN-CONTAINING
PROTEIN

(Colletotrichum
graminicola) 		PF01344
(Kelch_1)
PF09118
(DUF1929) 		5 ASP A 288
PHE A 464
ASN A   2
ARG A 384
PRO A 370
 None
 1.40A 6gnfA-5c92A:
undetectable		 6gnfA-5c92A:
22.39
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.
5e76 SUSD-LIKE PROTEIN
BACOVA_02651

(Bacteroides
ovatus) 		PF07980
(SusD_RagB)
PF14322
(SusD-like_3) 		5 ASP A 528
ASP A  96
ASN A  98
PRO A  69
GLY A  73
 EDO  A 610 (-3.2A)
None
None
None
None
 1.46A 6gnfA-5e76A:
undetectable		 6gnfA-5e76A:
21.80
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.
5f4j PROTRUDING DOMAIN OF
GII.17 NOROVIRUS
CAPSID

(Norwalk virus) 		PF08435
(Calici_coat_C) 		5 ASP A 446
PHE A 400
ARG A 241
PRO A 327
GLY A 325
 None
 1.42A 6gnfA-5f4jA:
undetectable		 6gnfA-5f4jA:
20.07
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.
5fic SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		5 VAL A 314
ASN A 381
ARG A 287
PRO A 326
GLY A 324
 None
 1.13A 6gnfA-5ficA:
undetectable		 6gnfA-5ficA:
21.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hqn SPHINGOMYELIN
PHOSPHODIESTERASE

(Mus musculus) 		PF00149
(Metallophos) 		5 VAL A 314
ASN A 381
ARG A 287
PRO A 326
GLY A 324
 None
None
NAG  A 703 (-3.4A)
None
None
 1.22A 6gnfA-5hqnA:
undetectable		 6gnfA-5hqnA:
22.36
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.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		5 ASP A 339
HIS A 341
ASN A 484
GLU A 672
GLY A 675
 None
None
None
None
PLP  A 901 (-3.3A)
 0.62A 6gnfA-5ikpA:
21.3		 6gnfA-5ikpA:
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.
5jfc NADH-DEPENDENT
FERREDOXIN:NADP
OXIDOREDUCTASE
SUBUNIT ALPHA

(Pyrococcus
furiosus) 		PF07992
(Pyr_redox_2)
PF14691
(Fer4_20) 		5 ASP L 140
ASP L 131
GLU L 199
PRO L 203
GLY L  24
 None
 1.37A 6gnfA-5jfcL:
3.6		 6gnfA-5jfcL:
22.97
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.
5jif HEMAGGLUTININ-ESTERA
SE

(Murine
coronavirus) 		PF02710
(Hema_HEFG)
PF03996
(Hema_esterase) 		5 VAL A 113
ASP A  90
ASN A  80
GLU A 105
GLY A 106
 None
 1.34A 6gnfA-5jifA:
undetectable		 6gnfA-5jifA:
21.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kis RHS2

(Yersinia
entomophaga) 		no annotation 5 VAL B 676
ARG B 411
GLN B 388
PRO B 653
GLY B 656
 None
CL  B1002 (-4.2A)
None
None
None
 1.21A 6gnfA-5kisB:
undetectable		 6gnfA-5kisB:
19.71
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.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		7 ASP A 332
ASP A 383
HIS A 385
ASN A 613
ARG A 699
GLU A 806
GLY A 809
 None
None
None
GLC  A1001 (-3.8A)
GLC  A1001 ( 4.9A)
GLC  A1001 (-3.4A)
GLC  A1001 ( 3.6A)
 0.95A 6gnfA-5lrbA:
22.9		 6gnfA-5lrbA:
21.09
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.
5uao TRYPTOPHANE-5-HALOGE
NASE

(Microbispora
sp. ATCC
PTA-5024) 		PF04820
(Trp_halogenase) 		5 VAL A 229
HIS A 333
ASN A 346
PHE A 234
GLY A  37
 None
None
FAD  A 601 (-2.7A)
None
FAD  A 601 (-3.4A)
 1.46A 6gnfA-5uaoA:
3.1		 6gnfA-5uaoA:
22.73
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.
5v4p NADPH DEHYDROGENASE
3

(Saccharomyces
cerevisiae) 		no annotation 5 ASP A 310
ASN A 309
PHE A 311
PRO A 290
GLY A 324
 None
None
None
None
FMN  A 401 (-3.6A)
 1.31A 6gnfA-5v4pA:
undetectable		 6gnfA-5v4pA:
8.81
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.
5v4p NADPH DEHYDROGENASE
3

(Saccharomyces
cerevisiae) 		no annotation 5 VAL A 332
ASN A 309
PHE A 311
PRO A 290
GLY A 324
 None
None
None
None
FMN  A 401 (-3.6A)
 1.40A 6gnfA-5v4pA:
undetectable		 6gnfA-5v4pA:
8.81
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.
5vm1 XYLULOKINASE

(Brucella ovis) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 ASP A 466
ASP A 376
PHE A 372
PRO A 332
GLY A 348
 None
 1.41A 6gnfA-5vm1A:
undetectable		 6gnfA-5vm1A:
23.74
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 VAL A  27
ASN A 269
GLU A 509
PRO A 510
GLY A 512
 None
None
UDP  A 801 (-3.9A)
None
UDP  A 801 (-3.5A)
 0.86A 6gnfA-5vncA:
10.1		 6gnfA-5vncA:
10.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wdx JFH-1 NS3

(Hepacivirus C) 		no annotation 5 VAL A 476
ASN A 429
GLU A 480
PRO A 452
GLY A 479
 None
 1.33A 6gnfA-5wdxA:
undetectable		 6gnfA-5wdxA:
21.82
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.
6cfw MONOVALENT CATION/H+
ANTIPORTER SUBUNIT E
MONOVALENT CATION/H+
ANTIPORTER SUBUNIT G

(Pyrococcus
furiosus) 		no annotation 5 VAL A  97
HIS C  36
ASN A 140
PRO A 142
GLY A 144
 None
 1.49A 6gnfA-6cfwA:
undetectable		 6gnfA-6cfwA:
9.98
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.
6gne -

(-) 		no annotation 6 ASP A 132
ASN A 277
ARG A 332
GLU A 412
PRO A 413
GLY A 415
 None
ACR  A 602 (-3.3A)
ACR  A 602 ( 3.7A)
ACR  A 602 (-3.7A)
ACR  A 602 (-3.5A)
ADP  A 601 ( 3.5A)
 0.97A 6gnfA-6gneA:
33.5		 6gnfA-6gneA:
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.
6gne -

(-) 		no annotation 9 VAL A  46
ASP A 161
ASN A 191
ASN A 277
ARG A 332
GLN A 336
GLU A 412
PRO A 413
GLY A 415
 ACR  A 602 (-4.9A)
ACR  A 602 (-3.4A)
ACR  A 602 (-4.9A)
ACR  A 602 (-3.3A)
ACR  A 602 ( 3.7A)
ACR  A 602 (-3.1A)
ACR  A 602 (-3.7A)
ACR  A 602 (-3.5A)
ADP  A 601 ( 3.5A)
 0.53A 6gnfA-6gneA:
33.5		 6gnfA-6gneA:
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.
6gng -

(-) 		no annotation 11 VAL A  41
ASP A 127
ASP A 169
HIS A 171
ASN A 200
ASN A 301
ARG A 356
GLN A 360
GLU A 434
PRO A 435
GLY A 437
 None
QPS  A 601 (-2.9A)
QPS  A 601 (-3.3A)
QPS  A 601 (-4.2A)
QPS  A 601 (-4.2A)
QPS  A 601 (-3.2A)
ADP  A 602 ( 3.6A)
QPS  A 601 (-3.2A)
QPS  A 601 ( 3.7A)
QPS  A 601 (-3.9A)
ADP  A 602 ( 3.6A)
 0.39A 6gnfA-6gngA:
54.4		 6gnfA-6gngA:
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.
1a9x CARBAMOYL PHOSPHATE
SYNTHETASE (SMALL
CHAIN)

(Escherichia
coli) 		PF00117
(GATase)
PF00988
(CPSase_sm_chain) 		5 GLY B1793
GLY B1792
HIS B1791
VAL B1531
GLU B1541
 None
 1.35A 6gnfA-1a9xB:
2.9		 6gnfA-1a9xB:
20.68
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.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		5 GLY A 113
GLY A 114
TYR A 256
HIS A 345
VAL A 420
 GLC  A 997 (-3.3A)
PLP  A 999 ( 3.6A)
GLC  A 996 (-3.8A)
GLC  A 998 (-4.3A)
None
 0.72A 6gnfA-1e4oA:
24.0		 6gnfA-1e4oA:
22.03
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.
1hkw DIAMINOPIMELATE
DECARBOXYLASE

(Mycobacterium
tuberculosis) 		PF00278
(Orn_DAP_Arg_deC)
PF02784
(Orn_Arg_deC_N) 		5 GLY A 257
GLY A 256
TYR A 405
HIS A 114
VAL A 135
 SO4  A 500 ( 3.9A)
None
SO4  A 500 (-4.3A)
None
None
 1.26A 6gnfA-1hkwA:
undetectable		 6gnfA-1hkwA:
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.
1mwo ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 THR A 158
GLY A 157
GLY A 202
HIS A 167
VAL A 207
 None
CA  A 442 (-4.3A)
CA  A 442 (-4.0A)
None
None
 1.14A 6gnfA-1mwoA:
undetectable		 6gnfA-1mwoA:
19.54
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.
1qgi PROTEIN
(CHITOSANASE)

(Bacillus
circulans) 		PF01374
(Glyco_hydro_46) 		5 THR A 180
GLY A 181
GLY A 182
TYR A 151
VAL A 213
 None
 1.13A 6gnfA-1qgiA:
undetectable		 6gnfA-1qgiA:
18.75
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		6 THR A  16
GLY A  17
GLY A  18
HIS A 163
VAL A 213
CYH A 378
 None
 0.75A 6gnfA-1rzvA:
40.7		 6gnfA-1rzvA:
33.33
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1rzv GLYCOGEN SYNTHASE 1

(Agrobacterium
tumefaciens) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		7 THR A  16
GLY A  17
GLY A  18
TYR A  96
TRP A 139
HIS A 163
VAL A 213
 None
 0.60A 6gnfA-1rzvA:
40.7		 6gnfA-1rzvA:
33.33
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.
1sg3 ALLANTOICASE

(Saccharomyces
cerevisiae) 		PF03561
(Allantoicase) 		5 THR A 236
GLY A 333
GLY A 334
TRP A 247
VAL A 264
 None
 1.47A 6gnfA-1sg3A:
undetectable		 6gnfA-1sg3A:
20.55
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.
1ve1 O-ACETYLSERINE
SULFHYDRYLASE

(Thermus
thermophilus) 		PF00291
(PALP) 		5 THR A 179
GLY A 182
GLY A 184
VAL A 194
GLU A 158
 PLP  A 413 (-3.5A)
None
None
None
None
 1.47A 6gnfA-1ve1A:
3.4		 6gnfA-1ve1A:
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.
1xfi UNKNOWN PROTEIN

(Arabidopsis
thaliana) 		PF01937
(DUF89) 		5 GLY A 352
GLY A 353
VAL A 191
GLU A 346
CYH A 358
 None
 1.38A 6gnfA-1xfiA:
3.6		 6gnfA-1xfiA:
20.55
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		5 GLY A 134
GLY A 135
TYR A 280
HIS A 377
VAL A 455
 PO4  A1900 (-3.7A)
PLP  A 860 ( 3.3A)
None
None
None
 0.80A 6gnfA-1ygpA:
20.5		 6gnfA-1ygpA:
20.74
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 THR A 558
GLY A 384
TYR A 151
HIS A  82
GLU A 145
 None
 1.23A 6gnfA-1z8lA:
3.0		 6gnfA-1z8lA:
22.10
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.
1z8l GLUTAMATE
CARBOXYPEPTIDASE II

(Homo sapiens) 		PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28) 		5 THR A 558
GLY A 385
GLY A 384
TYR A 151
HIS A  82
 None
 1.25A 6gnfA-1z8lA:
3.0		 6gnfA-1z8lA:
22.10
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 GLY A 113
GLY A 114
TYR A 245
HIS A 334
VAL A 408
 PO4  A1794 (-3.5A)
PO4  A1794 (-3.4A)
None
FMT  A1799 (-3.9A)
None
 0.92A 6gnfA-2c4mA:
23.0		 6gnfA-2c4mA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ga8 HYPOTHETICAL 39.9
KDA PROTEIN

(Saccharomyces
cerevisiae) 		PF07728
(AAA_5) 		5 THR A 130
GLY A 129
GLY A 128
TYR A 111
GLU A  89
 None
 1.33A 6gnfA-2ga8A:
undetectable		 6gnfA-2ga8A:
20.33
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.
2gfq UPF0204 PROTEIN
PH0006

(Pyrococcus
horikoshii) 		PF04414
(tRNA_deacylase) 		5 THR A 144
GLY A 104
GLY A 103
HIS A 141
GLU A 107
 None
 1.34A 6gnfA-2gfqA:
undetectable		 6gnfA-2gfqA:
23.51
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.
2gfq UPF0204 PROTEIN
PH0006

(Pyrococcus
horikoshii) 		PF04414
(tRNA_deacylase) 		5 THR A 144
GLY A 104
GLY A 103
TRP A  97
HIS A 141
 None
 1.28A 6gnfA-2gfqA:
undetectable		 6gnfA-2gfqA:
23.51
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.
2r66 GLYCOSYL
TRANSFERASE, GROUP 1

(Halothermothrix
orenii) 		PF00534
(Glycos_transf_1)
PF00862
(Sucrose_synth) 		5 THR A 187
GLY A 132
GLY A 131
HIS A 127
VAL A  39
 None
 1.48A 6gnfA-2r66A:
9.8		 6gnfA-2r66A:
22.97
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.
2v28 PHENYLALANINE-4-HYDR
OXYLASE

(Colwellia
psychrerythraea) 		PF00351
(Biopterin_H) 		5 THR A 165
GLY A 169
GLY A 181
TYR A 139
HIS A 127
 None
 1.50A 6gnfA-2v28A:
undetectable		 6gnfA-2v28A:
20.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2znc CARBONIC ANHYDRASE
IV

(Mus musculus) 		PF00194
(Carb_anhydrase) 		5 THR A  45
GLY A  82
GLY A  81
VAL A  50
CYH A  78
 None
 1.46A 6gnfA-2zncA:
undetectable		 6gnfA-2zncA:
18.68
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.
3cqy ANHYDRO-N-ACETYLMURA
MIC ACID KINASE

(Shewanella
oneidensis) 		PF03702
(AnmK) 		5 THR A 194
GLY A 170
GLY A 169
VAL A 294
CYH A 295
 None
 1.32A 6gnfA-3cqyA:
undetectable		 6gnfA-3cqyA:
23.01
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d1j GLYCOGEN SYNTHASE

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		6 THR A  16
GLY A  17
GLY A  18
TYR A  95
HIS A 161
VAL A 211
 None
 0.75A 6gnfA-3d1jA:
41.2		 6gnfA-3d1jA:
30.80
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3d1j GLYCOGEN SYNTHASE

(Escherichia
coli) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		6 THR A  16
GLY A  18
TYR A  95
TRP A 138
HIS A 161
VAL A 211
 None
 0.71A 6gnfA-3d1jA:
41.2		 6gnfA-3d1jA:
30.80
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.
3dwi CYSTEINE SYNTHASE B

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 THR A 188
GLY A 191
GLY A 193
VAL A 203
GLU A 168
 PLP  A 401 (-3.7A)
None
None
None
None
 1.41A 6gnfA-3dwiA:
3.1		 6gnfA-3dwiA:
21.56
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.
3fe1 HEAT SHOCK 70 KDA
PROTEIN 6

(Homo sapiens) 		PF00012
(HSP70) 		5 GLY A 205
GLY A 231
TYR A  17
VAL A 348
GLU A 177
 None
None
ADP  A 386 (-4.5A)
None
PO4  A 387 (-2.9A)
 1.38A 6gnfA-3fe1A:
undetectable		 6gnfA-3fe1A:
24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3go7 RIBOKINASE RBSK

(Mycobacterium
tuberculosis) 		PF00294
(PfkB) 		5 GLY A 223
GLY A 220
HIS A 206
VAL A 189
GLU A 226
 None
 1.45A 6gnfA-3go7A:
7.0		 6gnfA-3go7A:
21.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k0s DNA MISMATCH REPAIR
PROTEIN MUTS

(Escherichia
coli) 		PF00488
(MutS_V)
PF01624
(MutS_I)
PF05188
(MutS_II)
PF05190
(MutS_IV)
PF05192
(MutS_III) 		5 THR A 622
GLY A 619
GLY A 618
VAL A 775
GLU A 594
 ADP  A1801 (-3.2A)
ADP  A1801 (-3.2A)
ADP  A1801 (-3.8A)
None
None
 1.06A 6gnfA-3k0sA:
2.1		 6gnfA-3k0sA:
19.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3k9c TRANSCRIPTIONAL
REGULATOR, LACI
FAMILY PROTEIN

(Rhodococcus
jostii) 		PF13377
(Peripla_BP_3) 		5 THR A 226
GLY A 225
GLY A 224
HIS A 190
VAL A 221
 None
 1.40A 6gnfA-3k9cA:
3.0		 6gnfA-3k9cA:
19.74
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 GLY A  16
GLY A  17
TYR A  89
TRP A 129
HIS A 151
 CL  A5703 ( 3.9A)
CL  A5703 (-4.7A)
GOL  A6500 ( 3.9A)
GOL  A6502 (-4.3A)
None
 0.88A 6gnfA-3l01A:
33.9		 6gnfA-3l01A:
28.10
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 GLY A  16
TYR A  89
TRP A 129
HIS A 151
VAL A 193
 CL  A5703 ( 3.9A)
GOL  A6500 ( 3.9A)
GOL  A6502 (-4.3A)
None
None
 0.79A 6gnfA-3l01A:
33.9		 6gnfA-3l01A:
28.10
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 GLY A  17
TYR A  89
TRP A 129
HIS A 151
VAL A 193
 CL  A5703 (-4.7A)
GOL  A6500 ( 3.9A)
GOL  A6502 (-4.3A)
None
None
 0.70A 6gnfA-3l01A:
33.9		 6gnfA-3l01A:
28.10
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.
3qgv ALPHA AMYLASE

(Pyrococcus
woesei) 		PF00128
(Alpha-amylase)
PF09154
(DUF1939) 		5 THR A 158
GLY A 157
GLY A 202
HIS A 167
VAL A 207
 None
CA  A 501 (-4.5A)
CA  A 501 (-4.0A)
None
None
 1.16A 6gnfA-3qgvA:
undetectable		 6gnfA-3qgvA:
21.02
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 GLY A  99
TRP A 235
HIS A 264
VAL A 321
GLU A 410
 SO4  A 704 (-3.2A)
SO4  A 701 ( 4.8A)
None
None
None
 1.26A 6gnfA-3vueA:
48.7		 6gnfA-3vueA:
43.94
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3vue GRANULE-BOUND STARCH
SYNTHASE 1,
CHLOROPLASTIC/AMYLOP
LASTIC

(Oryza sativa) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		8 THR A  98
GLY A  99
GLY A 100
TRP A 235
HIS A 264
VAL A 321
GLU A 410
CYH A 487
 None
SO4  A 704 (-3.2A)
SO4  A 704 (-4.1A)
SO4  A 701 ( 4.8A)
None
None
None
None
 0.83A 6gnfA-3vueA:
48.7		 6gnfA-3vueA:
43.94
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.
3x43 O-UREIDO-L-SERINE
SYNTHASE

(Streptomyces
lavendulae) 		PF00291
(PALP) 		5 THR A 181
GLY A 184
GLY A 186
VAL A 196
GLU A 159
 PLP  A 401 (-3.6A)
None
None
None
None
 1.49A 6gnfA-3x43A:
2.8		 6gnfA-3x43A:
20.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4be9 STEROL ESTERASE

(Ophiostoma
piceae) 		PF00135
(COesterase) 		5 THR A 426
GLY A 423
GLY A 353
VAL A 358
GLU A 219
 1PE  A1553 (-3.7A)
None
None
None
None
 1.45A 6gnfA-4be9A:
2.9		 6gnfA-4be9A:
21.55
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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		5 GLY A 137
GLY A 138
TYR A 285
HIS A 379
VAL A 458
 PLP  A 901 ( 4.2A)
PLP  A 901 (-3.3A)
None
None
None
 0.81A 6gnfA-4bqiA:
22.7		 6gnfA-4bqiA:
22.10
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.
4clc UPF0303 PROTEIN
YBR137W

(Saccharomyces
cerevisiae) 		PF03928
(Haem_degrading) 		5 THR E 147
GLY E 130
GLY E 129
HIS E 128
CYH E 107
 None
 1.25A 6gnfA-4clcE:
undetectable		 6gnfA-4clcE:
15.86
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.
4hxy PLM1

(Streptomyces
sp. HK803) 		PF08659
(KR) 		5 THR A 193
GLY A 194
GLY A 195
HIS A 199
VAL A 385
 NDP  A 501 ( 4.9A)
NDP  A 501 (-3.4A)
NDP  A 501 (-3.4A)
None
None
 1.32A 6gnfA-4hxyA:
5.5		 6gnfA-4hxyA:
21.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4kq7 HYPOTHETICAL PROTEIN

(Bacteroides
uniformis) 		PF11175
(DUF2961) 		5 THR A 295
GLY A 276
GLY A 353
TYR A 263
HIS A 352
 None
 1.45A 6gnfA-4kq7A:
undetectable		 6gnfA-4kq7A:
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.
4l22 PHOSPHORYLASE

(Streptococcus
mutans) 		PF00343
(Phosphorylase) 		5 GLY A 104
GLY A 105
TYR A 228
HIS A 317
VAL A 384
 None
 0.82A 6gnfA-4l22A:
24.0		 6gnfA-4l22A:
21.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		5 GLY A  58
GLY A  59
HIS A 223
VAL A 276
GLU A 351
 None
 1.08A 6gnfA-4qlbA:
18.3		 6gnfA-4qlbA:
21.55
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.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		5 GLY A  58
GLY A  59
TRP A 200
HIS A 223
VAL A 276
 None
 0.72A 6gnfA-4qlbA:
18.3		 6gnfA-4qlbA:
21.55
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.
4r2v CYSTEINE SYNTHETASE

(Helicobacter
pylori) 		PF00291
(PALP) 		5 THR A 253
GLY A 269
TYR A 305
HIS A  38
GLU A 222
 None
 1.15A 6gnfA-4r2vA:
3.0		 6gnfA-4r2vA:
19.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rpf HOMOSERINE KINASE

(Yersinia pestis) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 263
GLY A  95
TYR A 287
VAL A  24
GLU A 232
 None
CIT  A 401 (-3.3A)
None
None
None
 1.45A 6gnfA-4rpfA:
undetectable		 6gnfA-4rpfA:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ghf AMINOTRANSFERASE
CLASS-III

(Ochrobactrum
anthropi) 		PF00202
(Aminotran_3) 		5 THR A 356
GLY A 355
GLY A 378
VAL A 227
CYH A 262
 None
 1.48A 6gnfA-5ghfA:
undetectable		 6gnfA-5ghfA:
21.91
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.
5gxd AMP-DEPENDENT
SYNTHETASE AND
LIGASE

(Dinoroseobacter
shibae) 		PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
PF16177
(ACAS_N) 		5 THR A 451
GLY A 450
GLY A 255
TYR A 421
TRP A  10
 None
 1.35A 6gnfA-5gxdA:
undetectable		 6gnfA-5gxdA:
23.58
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.
5hy5 TRYPTOPHAN
6-HALOGENASE

(Streptomyces
toxytricini) 		PF04820
(Trp_halogenase) 		5 THR A  16
GLY A  15
GLY A  14
HIS A 198
VAL A 200
 FAD  A 601 (-3.8A)
FAD  A 601 (-3.3A)
FAD  A 601 (-3.5A)
None
None
 1.48A 6gnfA-5hy5A:
3.8		 6gnfA-5hy5A:
22.05
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.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		5 GLY A 134
GLY A 135
TYR A 280
HIS A 377
VAL A 455
 PLP  A 901 ( 4.1A)
PLP  A 901 ( 3.8A)
None
None
None
 0.67A 6gnfA-5ikpA:
21.4		 6gnfA-5ikpA:
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.
5kd5 METALLOPEPTIDASE

(Bacteroides
thetaiotaomicron) 		PF13402
(Peptidase_M60)
PF17291
(M60-like_N) 		5 THR A 358
GLY A 359
GLY A 448
TYR A 333
HIS A 455
 None
 1.37A 6gnfA-5kd5A:
undetectable		 6gnfA-5kd5A:
25.00
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.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		5 GLY A 181
GLY A 182
TYR A 329
HIS A 421
VAL A 584
 PLP  A1002 ( 4.3A)
GLC  A1001 ( 3.7A)
None
GLC  A1001 (-3.7A)
None
 0.68A 6gnfA-5lrbA:
22.9		 6gnfA-5lrbA:
21.09
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A  22
GLY A  23
TRP A 170
HIS A 193
VAL A 247
 None
 0.84A 6gnfA-5vncA:
10.1		 6gnfA-5vncA:
10.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 5 GLY A  22
TRP A 170
HIS A 193
VAL A 247
GLU A 322
 None
 1.43A 6gnfA-5vncA:
10.1		 6gnfA-5vncA:
10.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xj1 UNCHARACTERIZED RNA
METHYLTRANSFERASE
SP_1029

(Streptococcus
pneumoniae) 		no annotation 5 THR A 317
GLY A 316
GLY A 314
TYR A 293
CYH A 358
 None
 1.44A 6gnfA-5xj1A:
2.2		 6gnfA-5xj1A:
23.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ydl PKS

(Streptomyces
sp. CNQ431) 		no annotation 5 THR A  94
GLY A  93
GLY A  92
HIS A 172
VAL A 326
 None
None
DUV  A 501 (-4.2A)
None
None
 1.43A 6gnfA-5ydlA:
undetectable		 6gnfA-5ydlA:
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.
6bvd LIGHT CHAIN

(Clostridium
botulinum) 		no annotation 5 THR A 238
GLY A 237
GLY A 186
TYR A 347
GLU A 110
 None
 1.37A 6gnfA-6bvdA:
undetectable		 6gnfA-6bvdA:
10.41
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.
6bvd LIGHT CHAIN

(Clostridium
botulinum) 		no annotation 5 THR A 238
GLY A 237
TYR A 347
VAL A 334
GLU A 110
 None
 1.38A 6gnfA-6bvdA:
undetectable		 6gnfA-6bvdA:
10.41
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.
6bwc POLYSACCHARIDE
BIOSYNTHESIS PROTEIN
CAPD

(Bacillus
thuringiensis) 		no annotation 5 THR A  14
GLY A  13
GLY A  18
VAL A 170
GLU A  49
 NAP  A 401 (-3.5A)
NAP  A 401 ( 4.5A)
None
NAP  A 401 (-4.0A)
None
 1.41A 6gnfA-6bwcA:
3.5		 6gnfA-6bwcA:
9.57
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.
6gne -

(-) 		no annotation 7 GLY A  41
GLY A  42
TYR A 127
TRP A 162
HIS A 190
VAL A 244
CYH A 414
 ADP  A 601 ( 3.8A)
ADP  A 601 ( 3.2A)
ACR  A 602 ( 4.2A)
ACR  A 602 (-4.2A)
ACR  A 602 (-3.8A)
ACR  A 602 (-4.3A)
ACR  A 602 (-4.3A)
 0.48A 6gnfA-6gneA:
42.1		 6gnfA-6gneA:
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.
6gng -

(-) 		no annotation 8 THR A  35
GLY A  36
GLY A  37
TYR A 120
TRP A 170
HIS A 199
VAL A 269
CYH A 436
 QPS  A 601 ( 3.0A)
ADP  A 602 ( 3.5A)
ADP  A 602 ( 3.4A)
QPS  A 601 (-4.4A)
QPS  A 601 (-4.2A)
QPS  A 601 (-4.4A)
QPS  A 601 ( 4.7A)
QPS  A 601 (-4.8A)
 0.28A 6gnfA-6gngA:
54.4		 6gnfA-6gngA:
undetectable