SIMILAR PATTERNS OF AMINO ACIDS FOR 6GNE_A_ACRA602_1

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.
1d2z DEATH DOMAIN OF
PELLE
DEATH DOMAIN OF TUBE

(Drosophila
melanogaster) 		PF00531
(Death)
PF14786
(Death_2) 		5 GLY A  92
GLY A  91
GLN A  71
VAL A  62
PRO B 165
 None
 0.91A 6gneA-1d2zA:
undetectable		 6gneA-1d2zA:
13.57
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.
1e4o MALTODEXTRIN
PHOSPHORYLASE

(Escherichia
coli) 		PF00343
(Phosphorylase) 		7 GLY A 113
GLY A 114
ASP A 307
VAL A 420
ASN A 449
ARG A 534
GLY A 640
 GLC  A 997 (-3.3A)
PLP  A 999 ( 3.6A)
GLC  A 997 (-3.6A)
None
GLC  A 998 (-3.3A)
GLC  A 996 (-4.1A)
PLP  A 999 ( 3.2A)
 0.70A 6gneA-1e4oA:
24.0		 6gneA-1e4oA:
23.13
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.
1fcd FLAVOCYTOCHROME C
SULFIDE
DEHYDROGENASE
(FLAVIN-BINDING
SUBUNIT)

(Allochromatium
vinosum) 		PF07992
(Pyr_redox_2)
PF09242
(FCSD-flav_bind) 		5 GLY A 233
GLY A 232
VAL A 237
GLN A 140
GLY A 115
 None
 1.06A 6gneA-1fcdA:
2.3		 6gneA-1fcdA:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1h9h TRYPSIN

(Sus scrofa) 		PF00089
(Trypsin) 		5 GLY E 211
VAL E 231
VAL E  53
GLN E  30
GLY E 196
 None
 1.16A 6gneA-1h9hE:
undetectable		 6gneA-1h9hE:
18.97
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.
1k1z VAV

(Mus musculus) 		PF00018
(SH3_1) 		5 GLY A  57
VAL A  43
VAL A  73
PRO A  69
CYH A  70
 None
 1.06A 6gneA-1k1zA:
undetectable		 6gneA-1k1zA:
8.86
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.
1pix GLUTACONYL-COA
DECARBOXYLASE A
SUBUNIT

(Acidaminococcus
fermentans) 		PF01039
(Carboxyl_trans) 		5 GLY A  99
VAL A 143
ARG A 100
GLN A 560
PRO A 141
 None
 1.13A 6gneA-1pixA:
3.8		 6gneA-1pixA:
22.65
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.
1rzm PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE

(Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		5 GLY A 275
GLY A 274
VAL A 268
ARG A 247
GLY A 238
 None
 1.17A 6gneA-1rzmA:
2.0		 6gneA-1rzmA:
20.68
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) 		9 GLY A  17
GLY A  18
VAL A  22
ASP A 138
GLN A 140
VAL A 213
ASN A 246
PRO A 377
CYH A 378
 None
 0.95A 6gneA-1rzvA:
42.5		 6gneA-1rzvA:
31.44
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 VAL A  22
VAL A 213
ASN A 246
PRO A 377
CYH A 378
GLY A 379
 None
 0.62A 6gneA-1rzvA:
42.5		 6gneA-1rzvA:
31.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sb3 4-HYDROXYBENZOYL-COA
REDUCTASE ALPHA
SUBUNIT

(Thauera
aromatica) 		PF01315
(Ald_Xan_dh_C)
PF02738
(Ald_Xan_dh_C2) 		5 GLY A 665
GLY A 666
VAL A 363
GLN A 626
GLY A 727
 None
 1.10A 6gneA-1sb3A:
undetectable		 6gneA-1sb3A:
20.39
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.
1uaa PROTEIN
(ATP-DEPENDENT DNA
HELICASE REP.)

(Escherichia
coli) 		PF00580
(UvrD-helicase)
PF13361
(UvrD_C) 		5 GLY A  27
VAL A  31
VAL A 240
ARG A 278
GLN A 245
 None
 0.91A 6gneA-1uaaA:
undetectable		 6gneA-1uaaA:
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.
1uay TYPE II
3-HYDROXYACYL-COA
DEHYDROGENASE

(Thermus
thermophilus) 		PF00106
(adh_short) 		5 GLY A  75
VAL A 100
ASP A  33
GLN A 187
GLY A  77
 ADN  A1001 (-4.1A)
ADN  A1001 ( 4.4A)
ADN  A1001 (-2.9A)
None
None
 1.07A 6gneA-1uayA:
5.1		 6gneA-1uayA:
18.86
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.
1vs1 3-DEOXY-7-PHOSPHOHEP
TULONATE SYNTHASE

(Aeropyrum
pernix) 		PF00793
(DAHP_synth_1) 		5 GLY A  72
GLY A  71
VAL A 106
GLN A 257
GLY A  44
 None
 1.15A 6gneA-1vs1A:
undetectable		 6gneA-1vs1A:
22.11
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.
1ygp YEAST GLYCOGEN
PHOSPHORYLASE

(Saccharomyces
cerevisiae) 		PF00343
(Phosphorylase) 		7 GLY A 134
GLY A 135
ASP A 339
VAL A 455
ASN A 484
ARG A 569
GLY A 675
 PO4  A1900 (-3.7A)
PLP  A 860 ( 3.3A)
None
None
None
PO4  A1900 (-3.7A)
PLP  A 860 ( 4.1A)
 0.92A 6gneA-1ygpA:
21.7		 6gneA-1ygpA:
19.64
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.
1z1e STILBENE SYNTHASE

(Arachis
hypogaea) 		PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C) 		5 GLY A 256
GLY A 255
ASP A 207
VAL A 271
GLY A 374
 None
 1.09A 6gneA-1z1eA:
undetectable		 6gneA-1z1eA:
22.75
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.
1zj9 PROBABLE
FERREDOXIN-DEPENDENT
NITRITE REDUCTASE
NIRA

(Mycobacterium
tuberculosis) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr) 		5 GLY A 103
GLY A 102
VAL A 168
ARG A 374
PRO A 184
 None
 1.18A 6gneA-1zj9A:
2.3		 6gneA-1zj9A:
22.60
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2b6n PROTEINASE K

(Serratia sp.
GF96) 		PF00082
(Peptidase_S8) 		5 GLY A  79
GLY A  78
VAL A  90
PRO A 228
GLY A 232
 None
 0.95A 6gneA-2b6nA:
4.2		 6gneA-2b6nA:
18.02
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 GLY A 113
GLY A 114
ASP A 296
VAL A 408
ASN A 437
 PO4  A1794 (-3.5A)
PO4  A1794 (-3.4A)
None
None
FMT  A1799 (-3.5A)
 0.85A 6gneA-2c4mA:
23.3		 6gneA-2c4mA:
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.
2c4m GLYCOGEN
PHOSPHORYLASE

(Corynebacterium
callunae) 		PF00343
(Phosphorylase) 		5 GLY A 113
GLY A 114
VAL A 408
ASN A 437
GLY A 629
 PO4  A1794 (-3.5A)
PO4  A1794 (-3.4A)
None
FMT  A1799 (-3.5A)
PLP  A1634 ( 3.8A)
 0.83A 6gneA-2c4mA:
23.3		 6gneA-2c4mA:
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.
2gj4 GLYCOGEN
PHOSPHORYLASE,
MUSCLE FORM

(Oryctolagus
cuniculus) 		PF00343
(Phosphorylase) 		6 GLY A 134
GLY A 135
ASP A 339
VAL A 455
ASN A 484
GLY A 675
 PLR  A 940 (-3.6A)
PLR  A 940 ( 3.8A)
None
None
None
PLR  A 940 (-3.3A)
 0.69A 6gneA-2gj4A:
22.8		 6gneA-2gj4A:
20.89
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.
2gmh ELECTRON TRANSFER
FLAVOPROTEIN-UBIQUIN
ONE OXIDOREDUCTASE

(Sus scrofa) 		PF05187
(ETF_QO)
PF13450
(NAD_binding_8) 		5 GLY A 577
GLY A 578
VAL A 554
VAL A 489
GLY A 493
 EDO  A 619 (-3.2A)
None
SF4  A 610 (-4.1A)
EDO  A 621 (-4.5A)
EDO  A 624 (-3.7A)
 1.02A 6gneA-2gmhA:
4.0		 6gneA-2gmhA:
21.10
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.
2hlp MALATE DEHYDROGENASE

(Haloarcula
marismortui) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  30
GLY A  33
VAL A  26
VAL A 254
PRO A 250
 None
 1.12A 6gneA-2hlpA:
5.2		 6gneA-2hlpA:
21.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hru PHOSPHORIBOSYLFORMYL
GLYCINAMIDINE
SYNTHASE II

(Thermotoga
maritima) 		PF00586
(AIRS)
PF02769
(AIRS_C)
PF16904
(PurL_C) 		5 GLY A 241
GLY A 240
VAL A  27
GLN A 282
GLY A 186
 None
 1.15A 6gneA-2hruA:
undetectable		 6gneA-2hruA:
21.68
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2i5t PROTEIN C7ORF24

(Homo sapiens) 		PF13772
(AIG2_2) 		5 GLY A  23
VAL A  82
GLN A  97
ASN A 150
GLY A 146
 None
 1.11A 6gneA-2i5tA:
undetectable		 6gneA-2i5tA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ipi ACLACINOMYCIN
OXIDOREDUCTASE
(AKNOX)

(Streptomyces
galilaeus) 		PF01565
(FAD_binding_4)
PF08031
(BBE) 		5 GLY A 141
GLY A 196
GLN A 396
VAL A 498
GLY A 198
 None
None
None
None
FAD  A 801 (-4.1A)
 1.12A 6gneA-2ipiA:
undetectable		 6gneA-2ipiA:
22.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2j3h NADP-DEPENDENT
OXIDOREDUCTASE P1

(Arabidopsis
thaliana) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		5 GLY A 235
GLY A 234
ASN A 232
CYH A 254
GLY A 255
 None
 1.15A 6gneA-2j3hA:
undetectable		 6gneA-2j3hA:
20.49
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.
2jjm GLYCOSYL
TRANSFERASE, GROUP 1
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		6 GLY A  14
GLY A  15
ASP A 123
VAL A 150
ASN A 173
GLY A 285
 None
 0.91A 6gneA-2jjmA:
29.8		 6gneA-2jjmA:
25.86
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.
2jjm GLYCOSYL
TRANSFERASE, GROUP 1
FAMILY PROTEIN

(Bacillus
anthracis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		6 GLY A  14
GLY A  15
VAL A  19
VAL A 150
ASN A 173
GLY A 285
 None
 0.67A 6gneA-2jjmA:
29.8		 6gneA-2jjmA:
25.86
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.
2m72 UNCHARACTERIZED
THIOREDOXIN-LIKE
PROTEIN

(Porphyromonas
gingivalis) 		PF00578
(AhpC-TSA) 		5 GLY A 134
GLY A 135
VAL A 115
PRO A 113
GLY A 130
 None
 1.10A 6gneA-2m72A:
3.2		 6gneA-2m72A:
14.90
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.
2oy0 METHYLTRANSFERASE

(West Nile virus) 		PF01728
(FtsJ) 		5 GLY A 107
GLY A 106
ASP A 131
CYH A  82
GLY A  83
 None
None
SAH  A 301 (-3.2A)
None
SAH  A 301 (-3.2A)
 0.99A 6gneA-2oy0A:
undetectable		 6gneA-2oy0A:
19.05
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.
2qa2 POLYKETIDE OXYGENASE
CABE

(Streptomyces) 		PF01494
(FAD_binding_3) 		5 GLY A  76
GLY A  75
VAL A 370
ASN A 332
GLY A 284
 None
 1.14A 6gneA-2qa2A:
undetectable		 6gneA-2qa2A:
22.87
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.
2r9h H(+)/CL(-) EXCHANGE
TRANSPORTER CLCA

(Escherichia
coli) 		PF00654
(Voltage_CLC) 		5 GLY A 355
GLY A 354
GLN A 277
VAL A  97
GLN A 153
 CL  A   2 ( 3.0A)
None
None
None
None
 1.18A 6gneA-2r9hA:
undetectable		 6gneA-2r9hA:
22.70
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.
2rgh ALPHA-GLYCEROPHOSPHA
TE OXIDASE

(Streptococcus
sp.) 		PF01266
(DAO)
PF16901
(DAO_C) 		5 GLY A  26
GLY A  25
VAL A 239
ASN A 230
GLY A 233
 FAD  A 609 ( 4.9A)
FAD  A 609 (-3.1A)
None
None
FAD  A 609 (-3.4A)
 1.00A 6gneA-2rghA:
2.8		 6gneA-2rghA:
21.61
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.
2xsj SULFITE REDUCTASE
ALPHA SUBUNIT
SULFITE REDUCTASE
BETA SUBUNIT

(Desulfomicrobium
norvegicum) 		PF01077
(NIR_SIR)
PF03460
(NIR_SIR_ferr)
PF12838
(Fer4_7) 		5 GLY A 166
GLY A 165
VAL A 102
ASN A 162
GLY B  22
 None
 1.18A 6gneA-2xsjA:
undetectable		 6gneA-2xsjA:
21.69
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.
2yeq ALKALINE PHOSPHATASE
D

(Bacillus
subtilis) 		PF09423
(PhoD)
PF16655
(PhoD_N) 		5 GLY A 166
VAL A 462
ASN A 415
GLN A 126
GLY A 413
 PE5  A 558 ( 3.7A)
None
EDO  A 533 ( 4.7A)
None
EDO  A 552 ( 3.8A)
 1.19A 6gneA-2yeqA:
undetectable		 6gneA-2yeqA:
24.01
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.
3bry TBUX

(Ralstonia
pickettii) 		PF03349
(Toluene_X) 		5 GLY A 200
GLY A 199
VAL A 123
ASN A 121
GLY A 196
 None
 1.15A 6gneA-3bryA:
undetectable		 6gneA-3bryA:
21.85
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.
3cem GLYCOGEN
PHOSPHORYLASE, LIVER
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		6 GLY A 134
GLY A 135
ASP A 339
VAL A 455
ASN A 484
GLY A 675
 PLP  A 832 (-3.6A)
PLP  A 832 (-3.9A)
None
NBG  A   1 ( 4.5A)
NBG  A   1 (-3.3A)
PLP  A 832 ( 3.3A)
 0.74A 6gneA-3cemA:
23.4		 6gneA-3cemA:
20.75
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 GLY A  17
GLY A  18
VAL A  22
ASP A 137
VAL A 211
ASN A 246
 None
 0.68A 6gneA-3d1jA:
43.2		 6gneA-3d1jA:
31.54
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.
3e9y ACETOLACTATE
SYNTHASE,
CHLOROPLASTIC

(Arabidopsis
thaliana) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 GLY A 153
GLY A 522
VAL A 525
VAL A 139
PRO A 141
 None
 1.02A 6gneA-3e9yA:
undetectable		 6gneA-3e9yA:
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.
3jd5 28S RIBOSOMAL
PROTEIN S17,
MITOCHONDRIAL

(Bos taurus) 		PF00366
(Ribosomal_S17) 		5 GLY Q  19
VAL Q  28
ASP Q  53
VAL Q  64
GLY Q  61
 C  A 130 ( 4.8A)
None
None
None
None
 0.96A 6gneA-3jd5Q:
undetectable		 6gneA-3jd5Q:
15.13
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.
3k17 LIN0012 PROTEIN

(Listeria
innocua) 		PF00288
(GHMP_kinases_N)
PF08544
(GHMP_kinases_C) 		5 GLY A 173
GLY A 172
VAL A 356
VAL A 127
GLY A  15
 None
 1.03A 6gneA-3k17A:
undetectable		 6gneA-3k17A:
21.48
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3krm INSULIN-LIKE GROWTH
FACTOR 2
MRNA-BINDING PROTEIN
1

(Homo sapiens) 		PF00013
(KH_1) 		5 GLY A 506
GLY A 507
VAL A 510
VAL A 523
GLY A 500
 None
 1.09A 6gneA-3krmA:
undetectable		 6gneA-3krmA:
16.38
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 GLY A  16
ASP A 128
VAL A 193
ASN A 217
PRO A 340
 CL  A5703 ( 3.9A)
GOL  A6500 (-3.2A)
None
None
K  A5600 ( 4.8A)
 0.78A 6gneA-3l01A:
35.2		 6gneA-3l01A:
27.79
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 GLY A  16
GLY A  17
ASP A 128
ASN A 217
PRO A 340
 CL  A5703 ( 3.9A)
CL  A5703 (-4.7A)
GOL  A6500 (-3.2A)
None
K  A5600 ( 4.8A)
 0.88A 6gneA-3l01A:
35.2		 6gneA-3l01A:
27.79
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 GLY A  17
ASP A 128
VAL A 193
ASN A 217
PRO A 340
 CL  A5703 (-4.7A)
GOL  A6500 (-3.2A)
None
None
K  A5600 ( 4.8A)
 0.59A 6gneA-3l01A:
35.2		 6gneA-3l01A:
27.79
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.
3l01 GLGA GLYCOGEN
SYNTHASE

(Pyrococcus
abyssi) 		PF00534
(Glycos_transf_1)
PF08323
(Glyco_transf_5) 		5 GLY A  17
VAL A 193
ASN A 217
PRO A 340
GLY A 342
 CL  A5703 (-4.7A)
None
None
K  A5600 ( 4.8A)
K  A5600 (-4.4A)
 1.03A 6gneA-3l01A:
35.2		 6gneA-3l01A:
27.79
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.
3nks PROTOPORPHYRINOGEN
OXIDASE

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 GLY A  10
GLY A  11
GLN A 238
VAL A 456
CYH A 459
 None
FAD  A 479 (-3.4A)
None
FAD  A 479 (-4.0A)
FAD  A 479 (-3.6A)
 1.10A 6gneA-3nksA:
3.1		 6gneA-3nksA:
22.95
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.
3phg SHIKIMATE
DEHYDROGENASE

(Helicobacter
pylori) 		PF08501
(Shikimate_dh_N) 		5 GLY A 128
GLY A 127
VAL A 146
ASN A 148
GLY A 153
 None
 0.95A 6gneA-3phgA:
undetectable		 6gneA-3phgA:
19.31
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.
3pzu ENDOGLUCANASE

(Bacillus
subtilis) 		PF00150
(Cellulase) 		5 GLY A 100
GLY A 101
ASP A 135
GLN A 140
GLY A  66
 None
 1.16A 6gneA-3pzuA:
2.6		 6gneA-3pzuA:
22.08
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) 		6 GLY A  99
ASP A 234
ARG A 408
GLN A 412
PRO A 486
GLY A 488
 SO4  A 704 (-3.2A)
None
SO4  A 704 (-3.7A)
SO4  A 704 ( 3.7A)
None
None
 0.91A 6gneA-3vueA:
41.5		 6gneA-3vueA:
31.15
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) 		11 GLY A  99
GLY A 100
VAL A 104
ASP A 234
VAL A 321
ASN A 353
ARG A 408
GLN A 412
PRO A 486
CYH A 487
GLY A 488
 SO4  A 704 (-3.2A)
SO4  A 704 (-4.1A)
None
None
None
None
SO4  A 704 (-3.7A)
SO4  A 704 ( 3.7A)
None
None
None
 0.75A 6gneA-3vueA:
41.5		 6gneA-3vueA:
31.15
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.
4bgu MALATE DEHYDROGENASE

(Haloferax
volcanii) 		PF00056
(Ldh_1_N)
PF02866
(Ldh_1_C) 		5 GLY A  11
GLY A  14
VAL A   6
VAL A 230
PRO A 226
 None
 1.15A 6gneA-4bguA:
5.1		 6gneA-4bguA:
21.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		6 GLY A 137
GLY A 138
ASP A 341
VAL A 458
ASN A 487
GLY A 682
 PLP  A 901 ( 4.2A)
PLP  A 901 (-3.3A)
None
None
None
PLP  A 901 (-3.5A)
 0.77A 6gneA-4bqiA:
22.4		 6gneA-4bqiA:
20.37
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.
4bqi ALPHA-GLUCAN
PHOSPHORYLASE 2,
CYTOSOLIC

(Arabidopsis
thaliana) 		PF00343
(Phosphorylase) 		6 GLY A 138
ASP A 341
VAL A 458
ASN A 487
ARG A 573
GLY A 682
 PLP  A 901 (-3.3A)
None
None
None
None
PLP  A 901 (-3.5A)
 0.89A 6gneA-4bqiA:
22.4		 6gneA-4bqiA:
20.37
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.
4c1l 2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE

(Pyrococcus
furiosus) 		PF00793
(DAHP_synth_1) 		5 GLY A  57
GLY A  56
VAL A  91
GLN A 242
GLY A  29
 None
 1.11A 6gneA-4c1lA:
2.1		 6gneA-4c1lA:
20.19
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.
4cqm CARBONYL REDUCTASE
FAMILY MEMBER 4

(Homo sapiens) 		PF13561
(adh_short_C2) 		5 GLY B  85
VAL B 133
GLN B 145
VAL B 209
GLY B  15
 NAP  B 301 (-3.4A)
None
None
None
None
 1.17A 6gneA-4cqmB:
4.6		 6gneA-4cqmB:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4csu GTPASE OBGE/CGTA

(Escherichia
coli) 		PF01018
(GTP1_OBG)
PF01926
(MMR_HSR1) 		5 GLY 9  16
GLY 9  17
ASN 9  72
CYH 9  20
GLY 9  37
 None
 1.18A 6gneA-4csu9:
undetectable		 6gneA-4csu9:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ex9 ALNA

(Streptomyces
sp. CM020) 		PF04227
(Indigoidine_A) 		5 GLY A 128
GLY A 127
VAL A 106
VAL A 153
GLY A 157
 None
5RP  A 402 ( 4.2A)
5RP  A 402 (-4.0A)
None
None
 1.10A 6gneA-4ex9A:
2.3		 6gneA-4ex9A:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4grs PHOSPHO-2-DEHYDRO-3-
DEOXYHEPTONATE
ALDOLASE,
2-DEHYDRO-3-DEOXYPHO
SPHOHEPTONATE
ALDOLASE

(Pyrococcus
furiosus;
Thermotoga
maritima) 		PF00793
(DAHP_synth_1) 		5 GLY A 128
GLY A 127
VAL A 162
GLN A 313
GLY A 100
 None
 1.07A 6gneA-4grsA:
2.0		 6gneA-4grsA:
21.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gu7 PUTATIVE
UNCHARACTERIZED
PROTEIN SCO7193

(Streptomyces
coelicolor) 		PF04261
(Dyp_perox) 		5 GLY A  31
GLY A  32
VAL A  36
ASP A 102
GLY A 128
 None
 1.13A 6gneA-4gu7A:
undetectable		 6gneA-4gu7A:
22.24
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.
4hkm ANTHRANILATE
PHOSPHORIBOSYLTRANSF
ERASE

(Xanthomonas
campestris) 		PF00591
(Glycos_transf_3)
PF02885
(Glycos_trans_3N) 		5 GLY A 107
GLY A 106
VAL A 102
ASP A 324
GLY A 314
 None
 1.09A 6gneA-4hkmA:
3.6		 6gneA-4hkmA:
23.73
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.
4jf7 HEMAGGLUTININ-NEURAM
INIDASE

(Mammalian
rubulavirus 5) 		no annotation 6 GLY D 308
GLY D 307
VAL D 377
GLN D 319
PRO D 379
GLY D 361
 None
 1.42A 6gneA-4jf7D:
undetectable		 6gneA-4jf7D:
20.87
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.
4l22 PHOSPHORYLASE

(Streptococcus
mutans) 		PF00343
(Phosphorylase) 		5 GLY A 104
GLY A 105
ASP A 279
ASN A 413
ARG A 498
 None
 0.92A 6gneA-4l22A:
23.3		 6gneA-4l22A:
21.85
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.
4l22 PHOSPHORYLASE

(Streptococcus
mutans) 		PF00343
(Phosphorylase) 		6 GLY A 104
GLY A 105
VAL A 384
ASN A 413
ARG A 498
GLY A 603
 None
 0.87A 6gneA-4l22A:
23.3		 6gneA-4l22A:
21.85
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.
4lsm GLYCERALDEHYDE
3-PHOSPHATE
DEHYDROGENASE,
CYTOSOLIC

(Trypanosoma
cruzi) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 GLY A  37
GLY A  12
VAL A 100
GLN A  28
VAL A 332
 None
 1.03A 6gneA-4lsmA:
4.9		 6gneA-4lsmA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4mz0 CURL

(Moorea
producens) 		PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 234
GLY A 235
VAL A 387
ASN A 237
GLY A 275
 None
 1.09A 6gneA-4mz0A:
undetectable		 6gneA-4mz0A:
18.35
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.
4n9w GDP-MANNOSE-DEPENDEN
T
ALPHA-(1-2)-PHOSPHAT
IDYLINOSITOL
MANNOSYLTRANSFERASE

(Mycolicibacterium
smegmatis) 		PF13439
(Glyco_transf_4)
PF13692
(Glyco_trans_1_4) 		5 GLY A  15
GLY A  16
VAL A 147
ASN A 168
GLY A 277
 GDP  A 401 (-3.6A)
GDP  A 401 (-3.7A)
None
None
None
 0.94A 6gneA-4n9wA:
24.5		 6gneA-4n9wA:
21.25
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.
4o3m BLOOM SYNDROME
PROTEIN

(Homo sapiens) 		PF00270
(DEAD)
PF00271
(Helicase_C)
PF00570
(HRDC)
PF09382
(RQC)
PF16124
(RecQ_Zn_bind) 		5 GLY A 693
GLY A 692
GLN A 700
PRO A 956
GLY A 981
 ADP  A1303 (-3.8A)
ADP  A1303 ( 3.6A)
None
None
None
 0.98A 6gneA-4o3mA:
undetectable		 6gneA-4o3mA:
20.80
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.
4o6q HASAP

(Pseudomonas
aeruginosa) 		PF06438
(HasA) 		5 GLY A  45
GLY A  44
VAL A  37
ASN A  42
GLY A  40
 HEM  A 202 ( 4.4A)
None
HEM  A 202 ( 4.4A)
None
None
 0.83A 6gneA-4o6qA:
undetectable		 6gneA-4o6qA:
17.06
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.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		7 GLY A  58
GLY A  59
VAL A  63
GLN A 201
VAL A 276
ASN A 298
PRO A 532
 None
 0.76A 6gneA-4qlbA:
19.8		 6gneA-4qlbA:
23.80
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.
4qlb PROBABLE GLYCOGEN
[STARCH] SYNTHASE

(Caenorhabditis
elegans) 		PF05693
(Glycogen_syn) 		5 VAL A  63
VAL A 276
ASN A 298
PRO A 532
GLY A 534
 None
 0.80A 6gneA-4qlbA:
19.8		 6gneA-4qlbA:
23.80
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.
4trq NUCLEAR MRNA EXPORT
PROTEIN SAC3

(Saccharomyces
cerevisiae) 		PF03399
(SAC3_GANP) 		5 GLY A 548
GLY A 547
ASP A 306
VAL A 269
GLY A 543
 None
 1.14A 6gneA-4trqA:
undetectable		 6gneA-4trqA:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tx1 ESTERASE

(Sinorhizobium
meliloti) 		PF13472
(Lipase_GDSL_2) 		5 GLY A 178
GLY A 177
VAL A 132
VAL A 206
GLY A 202
 None
 1.01A 6gneA-4tx1A:
2.3		 6gneA-4tx1A:
18.06
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.
4wd2 AROMATIC-AMINO-ACID
TRANSAMINASE TYRB

(Burkholderia
cenocepacia) 		PF00155
(Aminotran_1_2) 		5 GLY A 103
GLY A 105
VAL A 109
GLN A 287
PRO A 286
 LLP  A 246 ( 3.8A)
None
None
None
None
 1.14A 6gneA-4wd2A:
undetectable		 6gneA-4wd2A:
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.
4wd2 AROMATIC-AMINO-ACID
TRANSAMINASE TYRB

(Burkholderia
cenocepacia) 		PF00155
(Aminotran_1_2) 		5 GLY A 103
GLY A 105
VAL A 279
GLN A 287
PRO A 286
 LLP  A 246 ( 3.8A)
None
None
None
None
 1.11A 6gneA-4wd2A:
undetectable		 6gneA-4wd2A:
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.
4x4j PUTATIVE OXYGENASE

(Amycolatopsis
orientalis) 		PF01494
(FAD_binding_3) 		5 GLY A  76
GLY A  75
VAL A 370
ASN A 332
GLY A 284
 None
 1.08A 6gneA-4x4jA:
2.8		 6gneA-4x4jA:
22.79
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.
4xgi GLUTAMATE
DEHYDROGENASE

(Burkholderia
thailandensis) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A  90
GLY A  89
VAL A 364
ASN A 113
GLY A 122
 AKG  A 501 (-3.2A)
AKG  A 501 ( 3.9A)
AKG  A 501 ( 4.2A)
None
None
 1.16A 6gneA-4xgiA:
2.7		 6gneA-4xgiA:
23.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xsr ALR3699 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 GLN B   8
ASN B 174
ARG B 208
PRO B 289
GLY B 291
 None
UPG  B 403 (-3.2A)
UPG  B 403 (-3.6A)
UPG  B 403 (-3.4A)
UPG  B 403 (-3.7A)
 0.98A 6gneA-4xsrB:
27.5		 6gneA-4xsrB:
24.22
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.
4xsr ALR3699 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 GLY B  13
GLY B  14
ASN B 174
ARG B 208
PRO B 289
 UPG  B 403 ( 4.0A)
UPG  B 403 (-3.2A)
UPG  B 403 (-3.2A)
UPG  B 403 (-3.6A)
UPG  B 403 (-3.4A)
 0.73A 6gneA-4xsrB:
27.5		 6gneA-4xsrB:
24.22
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.
4xsr ALR3699 PROTEIN

(Nostoc sp. PCC
7120) 		no annotation 5 GLY B  14
ASN B 174
ARG B 208
PRO B 289
GLY B 291
 UPG  B 403 (-3.2A)
UPG  B 403 (-3.2A)
UPG  B 403 (-3.6A)
UPG  B 403 (-3.4A)
UPG  B 403 (-3.7A)
 0.79A 6gneA-4xsrB:
27.5		 6gneA-4xsrB:
24.22
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.
5d01 N-ACETYL-ALPHA-D-GLU
COSAMINYL L-MALATE
SYNTHASE

(Bacillus
subtilis) 		PF00534
(Glycos_transf_1)
PF13439
(Glyco_transf_4) 		5 GLY A  15
GLY A  16
VAL A 151
ASN A 174
GLY A 286
 GMT  A 401 ( 4.7A)
GMT  A 401 (-3.4A)
GMT  A 401 (-4.3A)
GMT  A 401 (-3.4A)
GMT  A 401 (-3.7A)
 0.48A 6gneA-5d01A:
30.1		 6gneA-5d01A:
26.01
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.
5e9q GENOME POLYPROTEIN

(Dengue virus) 		PF01728
(FtsJ) 		5 GLY A 107
GLY A 106
ASP A 131
CYH A  82
GLY A  83
 5KY  A 302 (-3.7A)
5KY  A 302 ( 4.8A)
SAM  A 301 (-3.4A)
None
SAM  A 301 (-3.1A)
 1.04A 6gneA-5e9qA:
undetectable		 6gneA-5e9qA:
17.70
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.
5elz TYPE II PANTOTHENATE
KINASE

(Staphylococcus
aureus) 		PF03630
(Fumble) 		5 GLY A 198
GLY A 201
VAL A 237
GLN A 145
VAL A  97
 UNX  A 304 ( 4.2A)
None
None
None
None
 1.15A 6gneA-5elzA:
undetectable		 6gneA-5elzA:
22.09
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.
5fxn THERMOLYSIN

(Bacillus
thermoproteolyticus) 		PF01447
(Peptidase_M4)
PF02868
(Peptidase_M4_C) 		5 GLY A  15
GLY A  12
VAL A  71
PRO A 132
GLY A 135
 None
 1.16A 6gneA-5fxnA:
undetectable		 6gneA-5fxnA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ijz NADP-SPECIFIC
GLUTAMATE
DEHYDROGENASE

(Corynebacterium
glutamicum) 		PF00208
(ELFV_dehydrog)
PF02812
(ELFV_dehydrog_N) 		5 GLY A  94
GLY A  93
VAL A 376
ASN A 117
GLY A 126
 AKG  A 502 (-3.7A)
AKG  A 502 (-3.4A)
AKG  A 502 (-4.1A)
None
None
 1.17A 6gneA-5ijzA:
3.1		 6gneA-5ijzA:
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.
5ikp GLYCOGEN
PHOSPHORYLASE, BRAIN
FORM

(Homo sapiens) 		PF00343
(Phosphorylase) 		6 GLY A 134
GLY A 135
ASP A 339
VAL A 455
ASN A 484
GLY A 675
 PLP  A 901 ( 4.1A)
PLP  A 901 ( 3.8A)
None
None
None
PLP  A 901 (-3.3A)
 0.77A 6gneA-5ikpA:
22.4		 6gneA-5ikpA:
21.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l46 DIMETHYLGLYCINE
DEHYDROGENASE,
MITOCHONDRIAL

(Homo sapiens) 		PF01266
(DAO)
PF01571
(GCV_T)
PF08669
(GCV_T_C)
PF16350
(FAO_M) 		5 GLY A  57
GLY A  56
VAL A 255
ASN A 246
GLY A 249
 FAD  A 901 (-4.5A)
FAD  A 901 (-3.3A)
None
None
FAD  A 901 (-3.4A)
 0.97A 6gneA-5l46A:
3.0		 6gneA-5l46A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		6 GLY A 181
GLY A 182
ASP A 383
VAL A 584
ASN A 613
GLY A 809
 PLP  A1002 ( 4.3A)
GLC  A1001 ( 3.7A)
None
None
GLC  A1001 (-3.8A)
GLC  A1001 ( 3.6A)
 0.71A 6gneA-5lrbA:
22.2		 6gneA-5lrbA:
19.63
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.
5lrb ALPHA-1,4 GLUCAN
PHOSPHORYLASE

(Hordeum vulgare) 		PF00343
(Phosphorylase) 		6 GLY A 182
ASP A 383
VAL A 584
ASN A 613
ARG A 699
GLY A 809
 GLC  A1001 ( 3.7A)
None
None
GLC  A1001 (-3.8A)
GLC  A1001 ( 4.9A)
GLC  A1001 ( 3.6A)
 0.94A 6gneA-5lrbA:
22.2		 6gneA-5lrbA:
19.63
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.
5m31 APPR-1-P PROCESSING
DOMAIN PROTEIN

(Thermus
aquaticus) 		PF01661
(Macro) 		5 GLY A 121
GLY A 122
VAL A 128
PRO A 115
GLY A 117
 None
 1.16A 6gneA-5m31A:
3.1		 6gneA-5m31A:
15.58
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.
5nbo GLYCOSYL HYDROLASE
FAMILY 16

(Bacteroides
ovatus) 		no annotation 5 GLY A 122
GLY A 254
VAL A 261
GLN A 191
PRO A 118
 None
 1.01A 6gneA-5nboA:
undetectable		 6gneA-5nboA:
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.
5t5i TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT B
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDD
TUNGSTEN
FORMYLMETHANOFURAN
DEHYDROGENASE
SUBUNIT FWDG

(Methanothermobacter
sp. CaT2;
Methanothermobacter
wolfeii) 		PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF12838
(Fer4_7) 		5 VAL G  73
GLN D  34
PRO B 158
CYH G  15
GLY G  14
 None
None
SF4  B 501 ( 4.3A)
SF4  G 101 (-2.2A)
SF4  G 101 ( 3.9A)
 1.11A 6gneA-5t5iG:
undetectable		 6gneA-5t5iG:
10.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 6 GLY A  22
GLY A  23
VAL A  27
VAL A 247
ASN A 269
PRO A 510
 None
 0.72A 6gneA-5vncA:
22.7		 6gneA-5vncA:
9.33
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.
5vnc GLYCOGEN [STARCH]
SYNTHASE ISOFORM 2

(Saccharomyces
cerevisiae) 		no annotation 6 GLY A  23
VAL A  27
VAL A 247
ASN A 269
PRO A 510
GLY A 512
 None
None
None
None
None
UDP  A 801 (-3.5A)
 0.77A 6gneA-5vncA:
22.7		 6gneA-5vncA:
9.33
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.
5xeo CYSTEINE SYNTHASE

(Fusobacterium
nucleatum) 		no annotation 5 GLY A 222
GLY A 176
PRO A 199
CYH A 173
GLY A 174
 None
PLP  A 401 (-3.7A)
None
None
None
 1.02A 6gneA-5xeoA:
3.2		 6gneA-5xeoA:
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.
6bj9 ACETYL-COA
ACETYLTRANSFERASE A

(Ascaris suum) 		no annotation 5 GLY A 116
GLY A 117
VAL A  58
VAL A  29
GLY A 252
 None
 0.99A 6gneA-6bj9A:
undetectable		 6gneA-6bj9A:
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.
6eot DIPEPTIDYL PEPTIDASE
8

(Homo sapiens) 		no annotation 5 GLY A 758
GLY A 757
VAL A 674
PRO A 672
GLY A 670
 None
 1.10A 6gneA-6eotA:
4.4		 6gneA-6eotA:
10.06
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.
6gnf -

(-) 		no annotation 11 GLY A  18
GLY A  19
VAL A  23
ASP A 151
VAL A 251
ASN A 283
ARG A 338
GLN A 342
PRO A 415
CYH A 416
GLY A 417
 ADP  A 601 ( 3.8A)
ADP  A 601 ( 3.3A)
None
QPS  A 602 (-3.3A)
QPS  A 602 ( 4.6A)
QPS  A 602 (-3.4A)
ADP  A 601 ( 4.1A)
QPS  A 602 (-3.2A)
QPS  A 602 (-3.6A)
QPS  A 602 (-4.9A)
QPS  A 602 (-3.7A)
 0.42A 6gneA-6gnfA:
42.1		 6gneA-6gnfA:
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 GLY A  36
GLY A  37
VAL A  41
ASP A 169
VAL A 269
ASN A 301
ARG A 356
GLN A 360
PRO A 435
CYH A 436
GLY A 437
 ADP  A 602 ( 3.5A)
ADP  A 602 ( 3.4A)
None
QPS  A 601 (-3.3A)
QPS  A 601 ( 4.7A)
QPS  A 601 (-3.2A)
ADP  A 602 ( 3.6A)
QPS  A 601 (-3.2A)
QPS  A 601 (-3.9A)
QPS  A 601 (-4.8A)
ADP  A 602 ( 3.6A)
 0.48A 6gneA-6gngA:
42.2		 6gneA-6gngA:
undetectable