SIMILAR PATTERNS OF AMINO ACIDS FOR 6DWD_A_GLYA715

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.
1bev BOVINE ENTEROVIRUS
COAT PROTEINS VP1 TO
VP4
BOVINE ENTEROVIRUS
COAT PROTEINS VP1 TO
VP4

(Enterovirus E;
Enterovirus E) 		PF00073
(Rhv)
PF00073
(Rhv) 		4 GLY 3  60
ASN 1 274
SER 1 268
ARG 1 270
 None
 1.09A 6dwdA-1bev3:
0.0
6dwdC-1bev3:
0.0		 6dwdA-1bev3:
16.26
6dwdC-1bev3:
16.26
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.
1cj0 PROTEIN (SERINE
HYDROXYMETHYLTRANSFE
RASE)

(Oryctolagus
cuniculus) 		PF00464
(SHMT) 		4 ASP A 352
SER A 360
ARG A 358
ARG A 324
 None
 0.90A 6dwdA-1cj0A:
0.0
6dwdC-1cj0A:
0.1		 6dwdA-1cj0A:
22.01
6dwdC-1cj0A:
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.
1cs1 PROTEIN
(CYSTATHIONINE
GAMMA-SYNTHASE)

(Escherichia
coli) 		PF01053
(Cys_Met_Meta_PP) 		4 GLY A 379
ASN A 378
ASP A 375
SER A 319
 None
 1.10A 6dwdA-1cs1A:
0.0
6dwdC-1cs1A:
0.0		 6dwdA-1cs1A:
20.61
6dwdC-1cs1A:
20.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fep FERRIC ENTEROBACTIN
RECEPTOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLY A 136
ASN A 135
SER A  92
ARG A  94
 None
 1.04A 6dwdA-1fepA:
0.0
6dwdC-1fepA:
0.0		 6dwdA-1fepA:
19.97
6dwdC-1fepA:
19.97
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.
1h5p NUCLEAR AUTOANTIGEN
SP100-B

(Homo sapiens) 		PF01342
(SAND) 		4 GLY A 610
ASP A 648
SER A 658
ARG A 660
 None
 1.21A 6dwdA-1h5pA:
0.0
6dwdC-1h5pA:
0.0		 6dwdA-1h5pA:
12.40
6dwdC-1h5pA:
12.40
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.
1hxh 3BETA/17BETA-HYDROXY
STEROID
DEHYDROGENASE

(Comamonas
testosteroni) 		PF13561
(adh_short_C2) 		4 GLY A  43
ASN A  39
ASP A  37
SER A  16
 None
 1.15A 6dwdA-1hxhA:
0.0
6dwdC-1hxhA:
0.0		 6dwdA-1hxhA:
20.47
6dwdC-1hxhA:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ia5 POLYGALACTURONASE

(Aspergillus
aculeatus) 		PF00295
(Glyco_hydro_28) 		4 GLY A 233
ASN A 232
SER A 205
ARG A 235
 None
 1.06A 6dwdA-1ia5A:
0.0
6dwdC-1ia5A:
0.0		 6dwdA-1ia5A:
20.78
6dwdC-1ia5A:
20.78
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.
1jkm BREFELDIN A ESTERASE

(Bacillus
subtilis) 		PF07859
(Abhydrolase_3) 		5 GLY A  98
ASN A 102
ASP A 100
SER A 172
ARG A 159
 None
 1.44A 6dwdA-1jkmA:
0.0
6dwdC-1jkmA:
0.0		 6dwdA-1jkmA:
20.36
6dwdC-1jkmA:
20.36
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.
1oru YUAD PROTEIN

(Bacillus
subtilis) 		no annotation 4 ASN A 126
ASP A 127
ARG A  63
ARG A  50
 CL  A 506 ( 4.8A)
None
None
CL  A 506 ( 4.0A)
 1.06A 6dwdA-1oruA:
undetectable
6dwdC-1oruA:
undetectable		 6dwdA-1oruA:
17.23
6dwdC-1oruA:
17.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1p15 PROTEIN-TYROSINE
PHOSPHATASE ALPHA

(Mus musculus) 		PF00102
(Y_phosphatase) 		4 GLY A 545
ASN A 546
ARG A 566
ARG A 543
 None
 1.17A 6dwdA-1p15A:
undetectable
6dwdC-1p15A:
undetectable		 6dwdA-1p15A:
19.02
6dwdC-1p15A:
19.02
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.
1q33 ADP-RIBOSE
PYROPHOSPHATASE

(Homo sapiens) 		PF00293
(NUDIX) 		4 GLY A 152
ASN A 149
ASP A 276
ARG A  66
 None
 0.96A 6dwdA-1q33A:
undetectable
6dwdC-1q33A:
undetectable		 6dwdA-1q33A:
19.35
6dwdC-1q33A:
19.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qgu PROTEIN (NITROGENASE
MOLYBDENUM IRON
PROTEIN)

(Klebsiella
pneumoniae) 		PF00148
(Oxidored_nitro) 		4 ASN A 228
ASP A 226
SER A 236
ARG A 237
 None
 1.08A 6dwdA-1qguA:
undetectable
6dwdC-1qguA:
undetectable		 6dwdA-1qguA:
20.62
6dwdC-1qguA:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x7p RRNA
METHYLTRANSFERASE

(Streptomyces
viridochromogenes) 		PF00588
(SpoU_methylase) 		4 GLY A 232
ASN A 233
ASP A 132
ARG A 243
 SAM  A 301 (-3.2A)
None
None
None
 1.20A 6dwdA-1x7pA:
undetectable
6dwdC-1x7pA:
undetectable		 6dwdA-1x7pA:
19.89
6dwdC-1x7pA:
19.89
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.
1x9n DNA LIGASE I

(Homo sapiens) 		PF01068
(DNA_ligase_A_M)
PF04675
(DNA_ligase_A_N)
PF04679
(DNA_ligase_A_C) 		4 GLY A 769
ASP A 378
ARG A 449
ARG A 444
 None
 1.22A 6dwdA-1x9nA:
undetectable
6dwdC-1x9nA:
undetectable		 6dwdA-1x9nA:
21.10
6dwdC-1x9nA:
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.
1yrz XYLAN
BETA-1,4-XYLOSIDASE

(Bacillus
halodurans) 		PF04616
(Glyco_hydro_43) 		4 GLY A1433
ASP A1410
SER A1491
ARG A1496
 None
 1.18A 6dwdA-1yrzA:
undetectable
6dwdC-1yrzA:
undetectable		 6dwdA-1yrzA:
21.79
6dwdC-1yrzA:
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.
1yt8 THIOSULFATE
SULFURTRANSFERASE

(Pseudomonas
aeruginosa) 		PF00581
(Rhodanese) 		4 GLY A 496
ASN A 499
ASP A 498
ARG A 491
 None
 0.84A 6dwdA-1yt8A:
undetectable
6dwdC-1yt8A:
undetectable		 6dwdA-1yt8A:
21.05
6dwdC-1yt8A:
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.
1zy4 SERINE/THREONINE-PRO
TEIN KINASE GCN2

(Saccharomyces
cerevisiae) 		PF00069
(Pkinase) 		4 ASN A 793
ASP A 844
SER A 846
ARG A 847
 None
 1.01A 6dwdA-1zy4A:
undetectable
6dwdC-1zy4A:
undetectable		 6dwdA-1zy4A:
21.16
6dwdC-1zy4A:
21.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ffu POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		PF00535
(Glycos_transf_2)
PF00652
(Ricin_B_lectin) 		4 GLY A  88
ASP A 110
SER A 150
ARG A 149
 None
 1.12A 6dwdA-2ffuA:
undetectable
6dwdC-2ffuA:
undetectable		 6dwdA-2ffuA:
23.06
6dwdC-2ffuA:
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.
2flq NITRIC OXIDE
SYNTHASE

(Geobacillus
stearothermophilus) 		PF02898
(NO_synthase) 		4 GLY A 150
ASP A 151
SER A 153
ARG A 259
 None
 1.19A 6dwdA-2flqA:
undetectable
6dwdC-2flqA:
undetectable		 6dwdA-2flqA:
22.04
6dwdC-2flqA:
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.
2gj2 WSV230

(White spot
syndrome virus) 		PF09625
(VP9) 		4 GLY A  67
ASP A  16
SER A  18
ARG A  19
 None
 1.18A 6dwdA-2gj2A:
undetectable
6dwdC-2gj2A:
undetectable		 6dwdA-2gj2A:
10.54
6dwdC-2gj2A:
10.54
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.
2inv INSULIN
FRUCTOTRANSFERASE

(Bacillus sp.
snu-7) 		no annotation 4 GLY A 231
ASN A 210
ASP A 209
ARG A 230
 None
 1.16A 6dwdA-2invA:
undetectable
6dwdC-2invA:
undetectable		 6dwdA-2invA:
21.97
6dwdC-2invA:
21.97
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.
2iq7 ENDOPOLYGALACTURONAS
E

(Colletotrichum
lupini) 		PF00295
(Glyco_hydro_28) 		4 GLY A 183
ASN A 152
SER A 232
ARG A 231
 None
 1.17A 6dwdA-2iq7A:
undetectable
6dwdC-2iq7A:
undetectable		 6dwdA-2iq7A:
21.68
6dwdC-2iq7A:
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.
2m2a FKBP-TYPE 16 KDA
PEPTIDYL-PROLYL
CIS-TRANS ISOMERASE

(Escherichia
coli) 		PF00254
(FKBP_C) 		4 GLY A 118
ASP A 119
SER A  83
ARG A  85
 None
 1.10A 6dwdA-2m2aA:
undetectable
6dwdC-2m2aA:
undetectable		 6dwdA-2m2aA:
14.50
6dwdC-2m2aA:
14.50
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.
2o5p FERRIPYOVERDINE
RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07660
(STN)
PF07715
(Plug) 		4 GLY A 128
ASP A 578
SER A 584
ARG A 163
 None
 1.17A 6dwdA-2o5pA:
undetectable
6dwdC-2o5pA:
undetectable		 6dwdA-2o5pA:
21.58
6dwdC-2o5pA:
21.58
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.
2pbg 6-PHOSPHO-BETA-D-GAL
ACTOSIDASE

(Lactococcus
lactis) 		PF00232
(Glyco_hydro_1) 		4 GLY A 393
ASP A 391
SER A 454
ARG A 394
 None
 1.02A 6dwdA-2pbgA:
undetectable
6dwdC-2pbgA:
undetectable		 6dwdA-2pbgA:
20.45
6dwdC-2pbgA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2qes RIBOSOME-INACTIVATIN
G PROTEIN PD-L4

(Phytolacca
dioica) 		PF00161
(RIP) 		4 GLY A   9
ASN A 145
ASP A  56
SER A  58
 None
 1.20A 6dwdA-2qesA:
undetectable
6dwdC-2qesA:
undetectable		 6dwdA-2qesA:
19.08
6dwdC-2qesA:
19.08
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.
2qtk PROBABLE PORIN

(Pseudomonas
aeruginosa) 		PF03573
(OprD) 		4 GLY A 293
ASN A 294
ASP A 289
SER A 282
 None
 1.02A 6dwdA-2qtkA:
undetectable
6dwdC-2qtkA:
undetectable		 6dwdA-2qtkA:
19.96
6dwdC-2qtkA:
19.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r16 NEUREXIN-1-ALPHA

(Bos taurus) 		PF02210
(Laminin_G_2) 		4 GLY A 790
ASN A 788
ASP A 772
SER A 770
 None
None
CA  A1000 (-2.8A)
None
 1.08A 6dwdA-2r16A:
undetectable
6dwdC-2r16A:
undetectable		 6dwdA-2r16A:
17.19
6dwdC-2r16A:
17.19
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.
2vbk TAILSPIKE-PROTEIN

(Shigella virus
Sf6) 		PF12708
(Pectate_lyase_3) 		4 GLY A 518
ASN A 540
SER A 516
ARG A 538
 GOL  A1301 ( 3.7A)
None
None
None
 1.18A 6dwdA-2vbkA:
undetectable
6dwdC-2vbkA:
undetectable		 6dwdA-2vbkA:
20.07
6dwdC-2vbkA:
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.
2vx4 CELLVIBRIO JAPONICUS
MANNANASE CJMAN26C

(Cellvibrio
japonicus) 		PF02156
(Glyco_hydro_26) 		4 GLY A  91
ASN A 375
SER A 101
ARG A 100
 None
 1.18A 6dwdA-2vx4A:
undetectable
6dwdC-2vx4A:
undetectable		 6dwdA-2vx4A:
21.15
6dwdC-2vx4A:
21.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2vxo GMP SYNTHASE
[GLUTAMINE-HYDROLYZI
NG]

(Homo sapiens) 		PF00117
(GATase)
PF00958
(GMP_synt_C)
PF02540
(NAD_synthase) 		4 GLY A 273
ASN A 272
ASP A 271
ARG A 589
 None
 0.75A 6dwdA-2vxoA:
undetectable
6dwdC-2vxoA:
undetectable		 6dwdA-2vxoA:
23.76
6dwdC-2vxoA:
23.76
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.
2wzr POLYPROTEIN
POLYPROTEIN

(Foot-and-mouth
disease virus;
Foot-and-mouth
disease virus) 		PF00073
(Rhv)
PF00073
(Rhv) 		4 GLY 1 102
ASN 1 104
ASP 1 103
ARG 3 220
 None
 1.13A 6dwdA-2wzr1:
undetectable
6dwdC-2wzr1:
undetectable		 6dwdA-2wzr1:
18.23
6dwdC-2wzr1:
18.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xmz HYDROLASE,
ALPHA/BETA HYDROLASE
FOLD FAMILY

(Staphylococcus
aureus) 		PF00561
(Abhydrolase_1) 		4 GLY A  52
ASP A  47
SER A  27
ARG A  28
 None
 1.14A 6dwdA-2xmzA:
undetectable
6dwdC-2xmzA:
undetectable		 6dwdA-2xmzA:
19.89
6dwdC-2xmzA:
19.89
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.
2xn8 PUTATIVE CYTOCHROME
P450 125

(Mycobacterium
tuberculosis) 		PF00067
(p450) 		4 GLY A  95
ASN A  94
SER A  90
ARG A 318
 None
None
None
HEM  A1434 (-3.0A)
 1.12A 6dwdA-2xn8A:
undetectable
6dwdC-2xn8A:
undetectable		 6dwdA-2xn8A:
22.34
6dwdC-2xn8A:
22.34
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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK

([Ruminococcus]
gnavus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 GLY A 255
ASN A 256
SER A 225
ARG A 524
 None
 1.09A 6dwdA-2yfnA:
undetectable
6dwdC-2yfnA:
undetectable		 6dwdA-2yfnA:
21.05
6dwdC-2yfnA:
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.
2zb4 PROSTAGLANDIN
REDUCTASE 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		4 GLY A 234
ASN A 235
ASP A 238
SER A 270
 None
SO4  A2005 (-3.9A)
None
None
 0.87A 6dwdA-2zb4A:
undetectable
6dwdC-2zb4A:
undetectable		 6dwdA-2zb4A:
18.78
6dwdC-2zb4A:
18.78
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.
2ze4 PHOSPHOLIPASE D

(Streptomyces
antibioticus) 		PF13091
(PLDc_2) 		4 GLY A 207
ASN A  34
SER A 212
ARG A 211
 None
 1.23A 6dwdA-2ze4A:
undetectable
6dwdC-2ze4A:
undetectable		 6dwdA-2ze4A:
22.01
6dwdC-2ze4A:
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.
3afe HYDROXYLASE,
PUTATIVE

(Mycobacterium
tuberculosis) 		PF02771
(Acyl-CoA_dh_N)
PF08028
(Acyl-CoA_dh_2) 		4 GLY A 299
ASN A 300
ASP A 303
ARG A 321
 None
 0.97A 6dwdA-3afeA:
undetectable
6dwdC-3afeA:
undetectable		 6dwdA-3afeA:
21.86
6dwdC-3afeA:
21.86
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.
3cq5 HISTIDINOL-PHOSPHATE
AMINOTRANSFERASE

(Corynebacterium
glutamicum) 		PF00155
(Aminotran_1_2) 		4 GLY A 175
ASN A 171
ASP A 176
ARG A 142
 None
 1.21A 6dwdA-3cq5A:
undetectable
6dwdC-3cq5A:
undetectable		 6dwdA-3cq5A:
20.32
6dwdC-3cq5A:
20.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cxb PROTEIN SIFA

(Salmonella
enterica) 		PF06767
(Sif) 		5 ASN A  88
ASP A  93
SER A 162
ARG A 150
ARG A 151
 None
 0.98A 6dwdA-3cxbA:
undetectable
6dwdC-3cxbA:
undetectable		 6dwdA-3cxbA:
21.86
6dwdC-3cxbA:
21.86
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.
3d2u UL18 PROTEIN

(Human
betaherpesvirus
5) 		PF00129
(MHC_I)
PF07654
(C1-set) 		4 GLY A  70
ASP A  71
SER A  43
ARG A  67
 None
 1.22A 6dwdA-3d2uA:
undetectable
6dwdC-3d2uA:
undetectable		 6dwdA-3d2uA:
17.34
6dwdC-3d2uA:
17.34
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.
3dcd GALACTOSE MUTAROTASE
RELATED ENZYME

(Lactobacillus
acidophilus) 		PF01263
(Aldose_epim) 		4 GLY A 211
ASN A 214
ARG A 210
ARG A 169
 None
 1.22A 6dwdA-3dcdA:
undetectable
6dwdC-3dcdA:
undetectable		 6dwdA-3dcdA:
20.00
6dwdC-3dcdA:
20.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ejk DTDP SUGAR ISOMERASE

(Desulfovibrio
alaskensis) 		PF00908
(dTDP_sugar_isom) 		4 GLY A  91
ASP A  90
SER A  95
ARG A  92
 None
 1.06A 6dwdA-3ejkA:
undetectable
6dwdC-3ejkA:
undetectable		 6dwdA-3ejkA:
16.09
6dwdC-3ejkA:
16.09
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.
3fw6 CELLULASE

(uncultured
bacterium) 		PF12891
(Glyco_hydro_44) 		4 GLY A 334
ASP A 339
ARG A 347
ARG A 348
 None
 1.21A 6dwdA-3fw6A:
undetectable
6dwdC-3fw6A:
undetectable		 6dwdA-3fw6A:
23.08
6dwdC-3fw6A:
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.
3ho8 PYRUVATE CARBOXYLASE

(Staphylococcus
aureus) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLY A 902
ASN A 957
ASP A 903
SER A 716
 None
 1.18A 6dwdA-3ho8A:
undetectable
6dwdC-3ho8A:
undetectable		 6dwdA-3ho8A:
19.44
6dwdC-3ho8A:
19.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hx1 SLR1951 PROTEIN

(Synechocystis
sp. PCC 6803) 		PF00498
(FHA) 		4 GLY A  21
ASP A  18
ARG A  22
ARG A  23
 None
 1.17A 6dwdA-3hx1A:
undetectable
6dwdC-3hx1A:
undetectable		 6dwdA-3hx1A:
14.00
6dwdC-3hx1A:
14.00
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.
3ikm DNA POLYMERASE
SUBUNIT GAMMA-1

(Homo sapiens) 		PF00476
(DNA_pol_A) 		4 GLY A 928
ASP A 930
SER A 933
ARG A 943
 None
 1.19A 6dwdA-3ikmA:
undetectable
6dwdC-3ikmA:
2.1		 6dwdA-3ikmA:
17.55
6dwdC-3ikmA:
17.55
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.
3iv6 PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE

(Rhodobacter
sphaeroides) 		no annotation 4 GLY A 137
SER A 254
ARG A 255
ARG A 256
 None
 0.98A 6dwdA-3iv6A:
undetectable
6dwdC-3iv6A:
undetectable		 6dwdA-3iv6A:
18.98
6dwdC-3iv6A:
18.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3m2r METHYL-COENZYME M
REDUCTASE I SUBUNIT
BETA

(Methanothermobacter
marburgensis) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 ASP B 100
SER B 118
ARG B 120
ARG B  44
 None
 1.04A 6dwdA-3m2rB:
undetectable
6dwdC-3m2rB:
2.1		 6dwdA-3m2rB:
20.76
6dwdC-3m2rB:
20.76
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.
3ops MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Paenibacillus
sp. Y412MC10) 		PF13378
(MR_MLE_C) 		4 GLY A 305
ASP A 302
SER A 308
ARG A 307
 None
 0.93A 6dwdA-3opsA:
undetectable
6dwdC-3opsA:
undetectable		 6dwdA-3opsA:
23.41
6dwdC-3opsA:
23.41
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.
3pkz RECOMBINASE SIN

(Staphylococcus
aureus) 		PF00239
(Resolvase) 		4 GLY A  68
ASP A  65
SER A  63
ARG A  66
 None
None
None
SO4  A 125 (-3.1A)
 1.14A 6dwdA-3pkzA:
undetectable
6dwdC-3pkzA:
undetectable		 6dwdA-3pkzA:
14.53
6dwdC-3pkzA:
14.53
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.
3qcw NEUREXIN-1-ALPHA

(Bos taurus) 		PF00008
(EGF)
PF02210
(Laminin_G_2) 		4 GLY A 790
ASN A 788
ASP A 772
SER A 770
 None
 1.14A 6dwdA-3qcwA:
undetectable
6dwdC-3qcwA:
undetectable		 6dwdA-3qcwA:
18.19
6dwdC-3qcwA:
18.19
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.
3r8r TRANSALDOLASE

(Bacillus
subtilis) 		PF00923
(TAL_FSA) 		4 GLY A 141
ASP A 143
SER A 146
ARG A 178
 None
 1.15A 6dwdA-3r8rA:
undetectable
6dwdC-3r8rA:
undetectable		 6dwdA-3r8rA:
16.70
6dwdC-3r8rA:
16.70
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.
3rl7 DISKS LARGE HOMOLOG
1

(Homo sapiens) 		no annotation 4 GLY B 241
ASN B 244
ASP B 243
SER B 290
 None
 1.10A 6dwdA-3rl7B:
undetectable
6dwdC-3rl7B:
undetectable		 6dwdA-3rl7B:
14.77
6dwdC-3rl7B:
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.
3s2j DIPEPTIDASE

(Streptomyces
coelicolor) 		PF01244
(Peptidase_M19) 		4 ASN A 151
ASP A 152
SER A  71
ARG A  70
 L3A  A 401 (-4.7A)
EDO  A 409 (-3.3A)
EDO  A 409 (-3.2A)
None
 1.10A 6dwdA-3s2jA:
undetectable
6dwdC-3s2jA:
undetectable		 6dwdA-3s2jA:
21.93
6dwdC-3s2jA:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3t8s INOSITOL
1,4,5-TRISPHOSPHATE
RECEPTOR TYPE 1

(Rattus
norvegicus) 		PF01365
(RYDR_ITPR)
PF02815
(MIR)
PF08709
(Ins145_P3_rec) 		4 ASN A 362
ASP A 363
SER A 366
ARG A 304
 None
 1.13A 6dwdA-3t8sA:
undetectable
6dwdC-3t8sA:
undetectable		 6dwdA-3t8sA:
22.92
6dwdC-3t8sA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v7i PUTATIVE POLYKETIDE
SYNTHASE

(Streptomyces
coelicolor) 		PF00195
(Chal_sti_synt_N) 		4 GLY A  52
ASP A 227
SER A 206
ARG A  51
 None
 1.22A 6dwdA-3v7iA:
undetectable
6dwdC-3v7iA:
undetectable		 6dwdA-3v7iA:
20.68
6dwdC-3v7iA:
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.
3vil BETA-GLUCOSIDASE

(Neotermes
koshunensis) 		PF00232
(Glyco_hydro_1) 		4 GLY A 415
ASP A 413
SER A 479
ARG A 416
 None
 1.11A 6dwdA-3vilA:
undetectable
6dwdC-3vilA:
undetectable		 6dwdA-3vilA:
23.18
6dwdC-3vilA:
23.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wbn PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pyrococcus
furiosus) 		PF01554
(MatE) 		4 GLY A 156
ASN A 157
SER A  78
ARG A 161
 None
OLC  A 504 (-3.9A)
None
OLC  A 504 (-3.6A)
 1.08A 6dwdA-3wbnA:
undetectable
6dwdC-3wbnA:
undetectable		 6dwdA-3wbnA:
22.47
6dwdC-3wbnA:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wcx SPHINGOMYELINASE C

(Streptomyces
griseocarneus) 		PF03372
(Exo_endo_phos) 		4 GLY A 262
SER A 259
ARG A 260
ARG A 303
 None
 1.21A 6dwdA-3wcxA:
undetectable
6dwdC-3wcxA:
undetectable		 6dwdA-3wcxA:
20.29
6dwdC-3wcxA:
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.
4a7k ALDOS-2-ULOSE
DEHYDRATASE

(Phanerochaete
chrysosporium) 		no annotation 4 GLY A 128
ASP A 114
SER A 131
ARG A 129
 None
 1.18A 6dwdA-4a7kA:
undetectable
6dwdC-4a7kA:
undetectable		 6dwdA-4a7kA:
19.76
6dwdC-4a7kA:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cdp PUTATIVE
HEME/HEMOGLOBIN
TRANSPORT PROTEIN

(Escherichia
coli) 		PF05171
(HemS) 		4 GLY A 237
ASN A 238
ASP A 236
SER A 232
 None
None
EDO  A1347 (-3.2A)
EDO  A1347 (-3.5A)
 1.14A 6dwdA-4cdpA:
undetectable
6dwdC-4cdpA:
undetectable		 6dwdA-4cdpA:
21.84
6dwdC-4cdpA:
21.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fnq ALPHA-GALACTOSIDASE
AGAB

(Geobacillus
stearothermophilus) 		PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N) 		4 GLY A 255
ASN A 256
SER A 225
ARG A 532
 None
 1.05A 6dwdA-4fnqA:
undetectable
6dwdC-4fnqA:
undetectable		 6dwdA-4fnqA:
21.83
6dwdC-4fnqA:
21.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gb7 6-AMINOHEXANOATE-DIM
ER HYDROLASE

(Bacillus
anthracis) 		PF00144
(Beta-lactamase) 		4 ASN A 125
ASP A 108
SER A 391
ARG A  51
 None
 1.14A 6dwdA-4gb7A:
undetectable
6dwdC-4gb7A:
undetectable		 6dwdA-4gb7A:
22.43
6dwdC-4gb7A:
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.
4gd5 PHOSPHATE ABC
TRANSPORTER,
PHOSPHATE-BINDING
PROTEIN

(Clostridium
perfringens) 		PF12849
(PBP_like_2) 		4 GLY A 158
ASP A 157
ARG A  90
ARG A 162
 None
 1.15A 6dwdA-4gd5A:
undetectable
6dwdC-4gd5A:
undetectable		 6dwdA-4gd5A:
19.00
6dwdC-4gd5A:
19.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4i70 INOSINE-ADENOSINE-GU
ANOSINE-NUCLEOSIDE
HYDROLASE

(Trypanosoma
brucei) 		PF01156
(IU_nuc_hydro) 		4 GLY A 181
ASP A 180
SER A 290
ARG A 293
 None
 1.18A 6dwdA-4i70A:
undetectable
6dwdC-4i70A:
undetectable		 6dwdA-4i70A:
19.06
6dwdC-4i70A:
19.06
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.
4jtv HEMAGGLUTININ

(Influenza A
virus) 		PF00509
(Hemagglutinin) 		4 GLY A  69
ASN A 153
SER A  77
ARG A 119
 None
 1.06A 6dwdA-4jtvA:
undetectable
6dwdC-4jtvA:
undetectable		 6dwdA-4jtvA:
21.74
6dwdC-4jtvA:
21.74
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.
4o9x TCDB2, TCCC3

(Photorhabdus
luminescens) 		PF03534
(SpvB)
PF12255
(TcdB_toxin_midC)
PF12256
(TcdB_toxin_midN) 		4 GLY A 673
ASN A 674
SER A 325
ARG A 334
 None
 1.14A 6dwdA-4o9xA:
undetectable
6dwdC-4o9xA:
undetectable		 6dwdA-4o9xA:
14.19
6dwdC-4o9xA:
14.19
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.
4ozq CHIMERA OF
MALTOSE-BINDING
PERIPLASMIC PROTEIN
AND KINESIN FAMILY
MEMBER 14 PROTEIN

(Escherichia
coli;
Mus musculus) 		PF00225
(Kinesin)
PF13416
(SBP_bac_8) 		4 GLY A 641
SER A 605
ARG A 604
ARG A 591
 None
 1.11A 6dwdA-4ozqA:
undetectable
6dwdC-4ozqA:
undetectable		 6dwdA-4ozqA:
21.44
6dwdC-4ozqA:
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.
4rkz PUTATIVE
UNCHARACTERIZED
PROTEIN TA1305

(Thermoplasma
acidophilum) 		no annotation 4 GLY A 143
ASP A 109
SER A 139
ARG A 136
 None
 1.04A 6dwdA-4rkzA:
undetectable
6dwdC-4rkzA:
undetectable		 6dwdA-4rkzA:
24.02
6dwdC-4rkzA:
24.02
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.
4utf GLYCOSYL HYDROLASE
FAMILY 71

(Bacteroides
xylanisolvens) 		PF16317
(Glyco_hydro_99) 		4 GLY A  50
ASP A  55
SER A 101
ARG A 136
 None
 0.81A 6dwdA-4utfA:
undetectable
6dwdC-4utfA:
undetectable		 6dwdA-4utfA:
20.11
6dwdC-4utfA:
20.11
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.
4wa0 POSSIBLE ADHESIN

(Caldicellulosiruptor
kronotskyensis) 		no annotation 4 GLY A 476
ASP A 473
SER A 482
ARG A 513
 MG  A 601 ( 4.4A)
MG  A 601 (-3.3A)
None
None
 0.98A 6dwdA-4wa0A:
undetectable
6dwdC-4wa0A:
undetectable		 6dwdA-4wa0A:
23.22
6dwdC-4wa0A:
23.22
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.
4z43 FLAVIN-DEPENDENT
TRYPTOPHAN
HALOGENASE PRNA

(Pseudomonas
fluorescens) 		PF04820
(Trp_halogenase) 		4 GLY A 111
ASP A 110
SER A 484
ARG A 481
 None
 1.18A 6dwdA-4z43A:
undetectable
6dwdC-4z43A:
undetectable		 6dwdA-4z43A:
20.62
6dwdC-4z43A:
20.62
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zxo GLYCOSYL HYDROLASE
FAMILY 26

(Bacteroides
ovatus) 		PF02156
(Glyco_hydro_26) 		4 GLY A  60
ASN A 325
SER A  70
ARG A  69
 None
 1.18A 6dwdA-4zxoA:
undetectable
6dwdC-4zxoA:
undetectable		 6dwdA-4zxoA:
21.65
6dwdC-4zxoA:
21.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5brq GLYCOSIDE HYDROLASE
FAMILY 13

(Bacillus
licheniformis) 		PF00128
(Alpha-amylase)
PF16657
(Malt_amylase_C) 		4 ASN A 416
ASP A 415
SER A 388
ARG A 414
 None
 1.13A 6dwdA-5brqA:
undetectable
6dwdC-5brqA:
undetectable		 6dwdA-5brqA:
23.16
6dwdC-5brqA:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fok IRON TRANSPORT OUTER
MEMBRANE RECEPTOR

(Pseudomonas
aeruginosa) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		4 GLY A 652
ASN A 653
SER A 254
ARG A 248
 None
 1.19A 6dwdA-5fokA:
undetectable
6dwdC-5fokA:
undetectable		 6dwdA-5fokA:
21.56
6dwdC-5fokA:
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.
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		4 GLY A  80
ASP A  79
SER A  95
ARG A 122
 None
 1.02A 6dwdA-5gjeA:
undetectable
6dwdC-5gjeA:
undetectable		 6dwdA-5gjeA:
22.91
6dwdC-5gjeA:
22.91
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.
5gje LOW-DENSITY
LIPOPROTEIN
RECEPTOR-RELATED
PROTEIN 6

(Homo sapiens) 		PF00058
(Ldl_recept_b)
PF14670
(FXa_inhibition) 		4 GLY B 822
ASN B 819
SER B 817
ARG B 825
 None
 1.07A 6dwdA-5gjeB:
undetectable
6dwdC-5gjeB:
undetectable		 6dwdA-5gjeB:
21.78
6dwdC-5gjeB:
21.78
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.
5i20 UNCHARACTERIZED
PROTEIN

(Starkeya
novella) 		PF00892
(EamA) 		4 GLY A 231
ASP A 229
SER A 170
ARG A 171
 None
 1.04A 6dwdA-5i20A:
undetectable
6dwdC-5i20A:
undetectable		 6dwdA-5i20A:
20.59
6dwdC-5i20A:
20.59
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5inr DIPEPTIDASE

(Lactobacillus
farciminis) 		PF03577
(Peptidase_C69) 		4 ASN A 244
ASP A 240
SER A 235
ARG A 230
 None
 1.15A 6dwdA-5inrA:
undetectable
6dwdC-5inrA:
undetectable		 6dwdA-5inrA:
22.32
6dwdC-5inrA:
22.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5iz5 CYTOSOLIC
PHOSPHOLIPASE A2
DELTA

(Homo sapiens) 		no annotation 4 GLY B 233
ASN B 229
SER B 225
ARG B 224
 None
 1.08A 6dwdA-5iz5B:
undetectable
6dwdC-5iz5B:
undetectable		 6dwdA-5iz5B:
20.48
6dwdC-5iz5B:
20.48
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.
5k2y PROBABLE PERIPLASMIC
SUGAR-BINDING
LIPOPROTEIN USPC

(Mycobacterium
tuberculosis) 		PF01547
(SBP_bac_1) 		4 GLY A 272
ASN A 271
SER A 275
ARG A 276
 None
 1.04A 6dwdA-5k2yA:
undetectable
6dwdC-5k2yA:
undetectable		 6dwdA-5k2yA:
21.13
6dwdC-5k2yA:
21.13
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.
5k5a PARB DOMAIN PROTEIN
NUCLEASE

(Sulfolobus
solfataricus) 		PF02195
(ParBc) 		4 GLY B 103
ASN B 102
ARG B 106
ARG B 105
 None
 1.19A 6dwdA-5k5aB:
undetectable
6dwdC-5k5aB:
undetectable		 6dwdA-5k5aB:
21.56
6dwdC-5k5aB:
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.
5koj NITROGENASE PROTEIN
ALPHA CHAIN

(Gluconacetobacter
diazotrophicus) 		PF00148
(Oxidored_nitro) 		4 ASN A 246
ASP A 244
SER A 254
ARG A 255
 None
 1.10A 6dwdA-5kojA:
undetectable
6dwdC-5kojA:
undetectable		 6dwdA-5kojA:
21.45
6dwdC-5kojA:
21.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5kxq GDP-FUCOSE PROTEIN
O-FUCOSYLTRANSFERASE
1

(Mus musculus) 		PF10250
(O-FucT) 		4 GLY A  50
ASN A  51
ASP A  54
SER A 269
 GDP  A 403 (-3.3A)
None
None
None
 1.21A 6dwdA-5kxqA:
undetectable
6dwdC-5kxqA:
undetectable		 6dwdA-5kxqA:
21.47
6dwdC-5kxqA:
21.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mmx CSPYL1_ABA

(Citrus sinensis) 		no annotation 4 GLY B 136
ASP B 126
SER B 138
ARG B 150
 None
 1.00A 6dwdA-5mmxB:
undetectable
6dwdC-5mmxB:
2.0		 6dwdA-5mmxB:
17.85
6dwdC-5mmxB:
17.85
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.
5n1q METHYL-COENZYME M
REDUCTASE III FROM
METHANOTHERMOCOCCUS
THERMOLITHOTROPHICUS
SUBUNIT BETA

(Methanothermococcus
thermolithotrophicus) 		PF02241
(MCR_beta)
PF02783
(MCR_beta_N) 		4 ASP B 100
SER B 118
ARG B 120
ARG B  44
 None
 1.23A 6dwdA-5n1qB:
undetectable
6dwdC-5n1qB:
undetectable		 6dwdA-5n1qB:
21.05
6dwdC-5n1qB:
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.
5ndf POLYPEPTIDE
N-ACETYLGALACTOSAMIN
YLTRANSFERASE 2

(Homo sapiens) 		no annotation 4 GLY A  88
ASP A 110
SER A 150
ARG A 149
 None
 1.18A 6dwdA-5ndfA:
undetectable
6dwdC-5ndfA:
undetectable		 6dwdA-5ndfA:
22.40
6dwdC-5ndfA:
22.40
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.
5t1p ABC TRANSPORTER,
PERIPLASMIC
SUBSTRATE-BINDING
PROTEIN

(Campylobacter
jejuni) 		PF13343
(SBP_bac_6) 		4 GLY A 164
ASN A 208
ASP A 165
SER A 167
 None
 1.20A 6dwdA-5t1pA:
undetectable
6dwdC-5t1pA:
undetectable		 6dwdA-5t1pA:
22.75
6dwdC-5t1pA:
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.
5vyw PYRUVATE CARBOXYLASE

(Lactococcus
lactis) 		PF00289
(Biotin_carb_N)
PF00682
(HMGL-like)
PF02436
(PYC_OADA)
PF02785
(Biotin_carb_C)
PF02786
(CPSase_L_D2) 		4 GLY A1031
ASN A1049
ASP A1050
SER A1052
 None
 1.16A 6dwdA-5vywA:
undetectable
6dwdC-5vywA:
undetectable		 6dwdA-5vywA:
19.72
6dwdC-5vywA:
19.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wka BETA-GLUCOSIDASE

(metagenome) 		no annotation 4 GLY A 442
ASP A 438
ARG A 444
ARG A 443
 None
 1.13A 6dwdA-5wkaA:
undetectable
6dwdC-5wkaA:
undetectable		 6dwdA-5wkaA:
undetectable
6dwdC-5wkaA:
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.
5wqs BETA-AMYLASE

(Ipomoea batatas) 		no annotation 4 GLY A 326
ASN A 320
ASP A 325
SER A 371
 None
 1.13A 6dwdA-5wqsA:
undetectable
6dwdC-5wqsA:
undetectable		 6dwdA-5wqsA:
undetectable
6dwdC-5wqsA:
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.
5xgw ISOASPARTYL
DIPEPTIDASE

(Colwellia
psychrerythraea) 		no annotation 4 GLY A 209
ASP A 208
ARG A 212
ARG A 237
 None
 1.16A 6dwdA-5xgwA:
undetectable
6dwdC-5xgwA:
undetectable		 6dwdA-5xgwA:
undetectable
6dwdC-5xgwA:
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.
5xxu RIBOSOMAL PROTEIN
US11
RIBOSOMAL PROTEIN
ES26

(Toxoplasma
gondii;
Toxoplasma
gondii) 		PF00411
(Ribosomal_S11)
PF00318
(Ribosomal_S2) 		4 GLY O 153
SER a  29
ARG a  28
ARG a  22
 None
G  21779 ( 4.6A)
U  21761 ( 3.5A)
None
 1.14A 6dwdA-5xxuO:
undetectable
6dwdC-5xxuO:
undetectable		 6dwdA-5xxuO:
13.60
6dwdC-5xxuO:
13.60
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.
5xya -

(-) 		no annotation 4 GLY A1195
ASN A1196
ASP A1194
SER A1190
 None
None
CA  A1705 (-2.2A)
CA  A1705 (-2.4A)
 1.19A 6dwdA-5xyaA:
undetectable
6dwdC-5xyaA:
undetectable		 6dwdA-5xyaA:
undetectable
6dwdC-5xyaA:
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.
5y4m -

(-) 		no annotation 4 GLY A 170
ASN A 167
ASP A 108
SER A 106
 None
 0.98A 6dwdA-5y4mA:
undetectable
6dwdC-5y4mA:
undetectable		 6dwdA-5y4mA:
undetectable
6dwdC-5y4mA:
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.
6bcq TRANSIENT RECEPTOR
POTENTIAL CATION
CHANNEL SUBFAMILY M
MEMBER 4

(Mus musculus) 		no annotation 4 GLY B 142
ASP B 137
ARG B 145
ARG B 140
 None
 1.13A 6dwdA-6bcqB:
undetectable
6dwdC-6bcqB:
undetectable		 6dwdA-6bcqB:
undetectable
6dwdC-6bcqB:
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.
6bsz METABOTROPIC
GLUTAMATE RECEPTOR 8

(Homo sapiens) 		no annotation 4 ASN A 186
SER A 193
ARG A 194
ARG A 447
 None
 1.15A 6dwdA-6bszA:
undetectable
6dwdC-6bszA:
undetectable		 6dwdA-6bszA:
undetectable
6dwdC-6bszA:
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.
6c6s -

(-) 		no annotation 4 GLY D  41
SER D 139
ARG D 138
ARG D  43
 None
 1.18A 6dwdA-6c6sD:
undetectable
6dwdC-6c6sD:
undetectable		 6dwdA-6c6sD:
undetectable
6dwdC-6c6sD:
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.
6ejb XYLOSYLTRANSFERASE 1

(Homo sapiens) 		no annotation 4 ASP A 944
SER A 947
ARG A 344
ARG A 340
 None
 1.06A 6dwdA-6ejbA:
undetectable
6dwdC-6ejbA:
undetectable		 6dwdA-6ejbA:
undetectable
6dwdC-6ejbA:
undetectable