SIMILAR PATTERNS OF AMINO ACIDS FOR 1WG8_B_SAMB3141_0

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1aor ALDEHYDE FERREDOXIN
OXIDOREDUCTASE

(Pyrococcus
furiosus) 		PF01314
(AFOR_C)
PF02730
(AFOR_N) 		5 THR A 379
GLY A 377
GLY A 323
GLY A 319
ASP A 326
 None
 1.13A 1wg8B-1aorA:
undetectable		 1wg8B-1aorA:
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.
1aql BILE-SALT ACTIVATED
LIPASE

(Bos taurus) 		PF00135
(COesterase) 		5 GLY A 106
GLY A 107
GLY A 112
GLN A 219
PHE A 191
 None
 1.15A 1wg8B-1aqlA:
undetectable		 1wg8B-1aqlA:
20.75
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.
1fy2 ASPARTYL DIPEPTIDASE

(Salmonella
enterica) 		PF03575
(Peptidase_S51) 		5 THR A  90
GLY A  87
GLY A  86
GLY A 118
PHE A  91
 None
 1.20A 1wg8B-1fy2A:
undetectable		 1wg8B-1fy2A:
26.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1gq1 CYTOCHROME CD1
NITRITE REDUCTASE

(Paracoccus
pantotrophus) 		PF02239
(Cytochrom_D1)
PF13442
(Cytochrome_CBB3) 		5 THR A 459
GLY A 441
GLY A 440
GLY A 439
HIS A 388
 None
None
None
None
SO4  A 603 (-3.7A)
 1.21A 1wg8B-1gq1A:
undetectable		 1wg8B-1gq1A:
20.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1l1l RIBONUCLEOSIDE
TRIPHOSPHATE
REDUCTASE

(Lactobacillus
leichmannii) 		PF02867
(Ribonuc_red_lgC) 		5 GLY A 558
GLY A  24
GLY A  27
ASP A 479
HIS A 566
 None
 1.16A 1wg8B-1l1lA:
undetectable		 1wg8B-1l1lA:
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.
1lpc DIANTHIN 30

(Dianthus
caryophyllus) 		PF00161
(RIP) 		5 GLY A 223
GLY A  36
GLN A 243
ASP A 241
ASP A  38
 None
 1.03A 1wg8B-1lpcA:
undetectable		 1wg8B-1lpcA:
22.86
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		6 PRO A  10
THR A  32
GLY A  34
GLY A  36
ASP A 103
MET A 130
 SAH  A 401 ( 4.2A)
SAH  A 401 (-3.9A)
SAH  A 401 (-3.5A)
SAH  A 401 (-4.1A)
SAH  A 401 (-3.7A)
SAH  A 401 (-3.6A)
 1.05A 1wg8B-1m6yA:
36.4		 1wg8B-1m6yA:
48.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1m6y S-ADENOSYL-METHYLTRA
NSFERASE MRAW

(Thermotoga
maritima) 		PF01795
(Methyltransf_5) 		8 PRO A  10
THR A  32
GLY A  34
GLY A  37
ASP A  57
ASP A 103
SER A 107
MET A 130
 SAH  A 401 ( 4.2A)
SAH  A 401 (-3.9A)
SAH  A 401 (-3.5A)
SAH  A 401 (-3.3A)
None
SAH  A 401 (-3.7A)
None
SAH  A 401 (-3.6A)
 0.74A 1wg8B-1m6yA:
36.4		 1wg8B-1m6yA:
48.50
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.
1ort ORNITHINE
TRANSCARBAMOYLASE

(Pseudomonas
aeruginosa) 		PF00185
(OTCace)
PF02729
(OTCace_N) 		5 THR A 230
GLY A 162
GLY A 169
GLN A 254
ASP A 231
 None
 1.18A 1wg8B-1ortA:
5.2		 1wg8B-1ortA:
24.59
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.
1po0 IRON(III) DICITRATE
TRANSPORT PROTEIN
FECA PRECURSOR

(Escherichia
coli) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 GLY A 312
GLY A 313
GLY A 724
ASP A 720
SER A 140
 None
None
None
FLC  A 742 (-4.1A)
None
 1.11A 1wg8B-1po0A:
undetectable		 1wg8B-1po0A:
17.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qi7 PROTEIN
(N-GLYCOSIDASE)

(Saponaria
officinalis) 		PF00161
(RIP) 		5 GLY A 222
GLY A  36
GLN A 242
ASP A 240
ASP A  38
 None
 1.05A 1wg8B-1qi7A:
undetectable		 1wg8B-1qi7A:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ta3 XYLANASE INHIBITOR
PROTEIN I

(Triticum
aestivum) 		PF00704
(Glyco_hydro_18) 		5 GLY A  78
GLY A  79
GLY A  81
ASP A 124
ASP A  50
 None
 1.21A 1wg8B-1ta3A:
undetectable		 1wg8B-1ta3A:
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.
1tly NUCLEOSIDE-SPECIFIC
CHANNEL-FORMING
PROTEIN TSX

(Escherichia
coli) 		PF03502
(Channel_Tsx) 		5 GLY A 261
GLY A 263
GLN A 241
ASP A 238
SER A 259
 None
 1.16A 1wg8B-1tlyA:
undetectable		 1wg8B-1tlyA:
18.93
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.
1uag UDP-N-ACETYLMURAMOYL
-L-ALANINE/:D-GLUTAM
ATE LIGASE

(Escherichia
coli) 		PF02875
(Mur_ligase_C)
PF08245
(Mur_ligase_M) 		5 GLY A  17
GLY A  14
GLY A  42
ASP A  94
SER A  19
 None
UMA  A 963 ( 3.7A)
None
UMA  A 963 ( 4.9A)
None
 1.01A 1wg8B-1uagA:
3.3		 1wg8B-1uagA:
24.73
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		5 PRO A   8
GLY A  32
GLY A  33
GLY A  35
SER A 101
 SAM  A3142 (-4.1A)
SAM  A3142 (-3.4A)
SAM  A3142 (-3.4A)
SAM  A3142 (-3.1A)
None
 0.90A 1wg8B-1wg8A:
45.8		 1wg8B-1wg8A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1wg8 PREDICTED
S-ADENOSYLMETHIONINE
-DEPENDENT
METHYLTRANSFERASE

(Thermus
thermophilus) 		PF01795
(Methyltransf_5) 		12 PRO A   8
THR A  30
GLY A  32
GLY A  33
GLY A  35
GLN A  52
ASP A  53
PHE A  75
ASP A  96
SER A 100
HIS A 103
MET A 123
 SAM  A3142 (-4.1A)
SAM  A3142 (-3.8A)
SAM  A3142 (-3.4A)
SAM  A3142 (-3.4A)
SAM  A3142 (-3.1A)
SAM  A3142 (-3.9A)
None
SAM  A3142 (-3.2A)
SAM  A3142 (-3.5A)
SAM  A3142 (-4.1A)
SAM  A3142 (-4.4A)
SAM  A3142 (-3.5A)
 0.47A 1wg8B-1wg8A:
45.8		 1wg8B-1wg8A:
100.00
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.
1yiq QUINOHEMOPROTEIN
ALCOHOL
DEHYDROGENASE

(Pseudomonas
putida) 		PF01011
(PQQ)
PF13360
(PQQ_2)
PF13442
(Cytochrome_CBB3) 		5 GLY A 617
GLY A 548
GLY A 611
GLN A 557
ASP A 622
 PGR  A 805 ( 4.9A)
None
None
None
PGR  A 805 (-3.4A)
 0.80A 1wg8B-1yiqA:
undetectable		 1wg8B-1yiqA:
18.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1yq9 PERIPLASMIC [NIFE]
HYDROGENASE SMALL
SUBUNIT

(Desulfovibrio
gigas) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 GLY A  74
GLY A  75
GLY A 130
PHE A 155
HIS A  13
 SF4  A 267 ( 4.9A)
None
None
None
None
 0.99A 1wg8B-1yq9A:
undetectable		 1wg8B-1yq9A:
23.55
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.
1zcm CALPAIN 1, LARGE
[CATALYTIC] SUBUNIT

(Homo sapiens) 		PF00648
(Peptidase_C2) 		5 THR A 210
GLY A 208
GLY A 207
GLY A 113
PHE A 214
 C1N  A1115 (-4.7A)
C1N  A1115 (-3.5A)
C1N  A1115 (-3.3A)
C1N  A1115 (-3.1A)
None
 1.08A 1wg8B-1zcmA:
undetectable		 1wg8B-1zcmA:
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.
2b39 C3

(Bos taurus) 		PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl) 		5 THR A1340
GLY A 983
GLY A1337
GLN A 988
MET A 989
 None
 1.00A 1wg8B-2b39A:
undetectable		 1wg8B-2b39A:
10.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2c5a GDP-MANNOSE-3',
5'-EPIMERASE

(Arabidopsis
thaliana) 		PF01370
(Epimerase) 		5 GLY A  37
GLY A  36
PHE A 201
SER A  41
HIS A  42
 NAD  A1378 (-3.2A)
NAD  A1378 (-4.1A)
NAD  A1378 ( 4.7A)
None
None
 1.15A 1wg8B-2c5aA:
6.0		 1wg8B-2c5aA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2e47 TIME INTERVAL
MEASURING ENZYME
TIME

(Bombyx mori) 		PF00080
(Sod_Cu) 		5 THR A  24
GLY A  37
GLY A  38
GLY A  21
ASP A 102
 None
 1.00A 1wg8B-2e47A:
undetectable		 1wg8B-2e47A:
23.35
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.
2f9y ACETYL-COENZYME A
CARBOXYLASE CARBOXYL
TRANSFERASE SUBUNIT
BETA

(Escherichia
coli) 		PF01039
(Carboxyl_trans) 		5 PRO B 201
GLY B 205
GLY B 204
GLY B 163
PHE B 142
 None
 1.20A 1wg8B-2f9yB:
undetectable		 1wg8B-2f9yB:
26.18
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.
2fjk FRUCTOSE-BISPHOSPHAT
E ALDOLASE

(Thermus
caldophilus) 		PF01116
(F_bP_aldolase) 		5 THR A 252
GLY A 209
GLY A 179
PHE A  22
ASP A 255
 None
13P  A1063 (-3.0A)
13P  A1063 (-3.9A)
None
None
 1.00A 1wg8B-2fjkA:
undetectable		 1wg8B-2fjkA:
25.07
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.
2gzx PUTATIVE TATD
RELATED DNASE

(Staphylococcus
aureus) 		PF01026
(TatD_DNase) 		5 GLY A 176
GLY A 177
ASP A 204
SER A 154
HIS A 153
 None
None
NI  A 300 ( 2.9A)
None
NI  A 299 (-3.5A)
 1.15A 1wg8B-2gzxA:
2.1		 1wg8B-2gzxA:
24.92
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.
2ie8 PHOSPHOGLYCERATE
KINASE

(Thermus
caldophilus) 		PF00162
(PGK) 		5 GLY A 346
GLY A 347
GLY A 314
PHE A 342
SER A 373
 None
 1.17A 1wg8B-2ie8A:
4.5		 1wg8B-2ie8A:
25.42
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.
2ix4 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE

(Arabidopsis
thaliana) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C) 		5 THR A 211
GLY A 234
GLY A 283
SER A 149
HIS A 203
 None
 1.13A 1wg8B-2ix4A:
undetectable		 1wg8B-2ix4A:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ixq PROTEIN AFAD

(Escherichia
coli) 		PF05775
(AfaD) 		5 PRO A  86
GLY A  68
GLY A  69
GLY A  71
GLN A  44
 PRO  A  86 ( 1.0A)
GLY  A  68 ( 0.0A)
GLY  A  69 ( 0.0A)
GLY  A  71 ( 0.0A)
GLN  A  44 ( 0.6A)
 1.04A 1wg8B-2ixqA:
undetectable		 1wg8B-2ixqA:
18.60
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.
2l0a SIGNAL TRANSDUCING
ADAPTER MOLECULE 1

(Homo sapiens) 		PF00018
(SH3_1) 		5 THR A  43
GLY A  55
GLY A  62
GLY A  60
ASP A  46
 None
 1.20A 1wg8B-2l0aA:
undetectable		 1wg8B-2l0aA:
11.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2nqi CALPAIN-1 CATALYTIC
SUBUNIT

(Rattus
norvegicus) 		PF00648
(Peptidase_C2) 		5 THR A 210
GLY A 208
GLY A 207
GLY A 113
PHE A 214
 None
NQI  A 501 (-3.8A)
NQI  A 501 (-3.2A)
NQI  A 501 (-3.1A)
None
 1.12A 1wg8B-2nqiA:
undetectable		 1wg8B-2nqiA:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pb0 ACETYLORNITHINE/SUCC
INYLDIAMINOPIMELATE
AMINOTRANSFERASE

(Salmonella
enterica) 		PF00202
(Aminotran_3) 		5 GLY A 200
GLY A 199
GLY A 197
ASP A 374
PHE A 332
 None
 1.16A 1wg8B-2pb0A:
3.0		 1wg8B-2pb0A:
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.
2pfe ALKALINE SERINE
PROTEASE

(Thermobifida
fusca) 		PF00089
(Trypsin) 		5 THR A 178
GLY A 175
GLN A 229
ASP A 102
MET A 103
 None
 1.16A 1wg8B-2pfeA:
undetectable		 1wg8B-2pfeA:
18.75
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.
2qez ETHANOLAMINE
AMMONIA-LYASE HEAVY
CHAIN

(Listeria
monocytogenes) 		PF06751
(EutB) 		5 GLY A 184
GLY A 180
GLN A 429
ASP A 428
SER A 437
 None
 1.20A 1wg8B-2qezA:
undetectable		 1wg8B-2qezA:
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.
2r6z UPF0341 PROTEIN IN
RSP 3' REGION

(Neisseria
gonorrhoeae) 		PF04445
(SAM_MT) 		5 THR A  91
GLY A  93
GLY A  95
GLN A 113
ASP A 168
 None
 0.97A 1wg8B-2r6zA:
12.7		 1wg8B-2r6zA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2reo PUTATIVE
SULFOTRANSFERASE 1C3

(Homo sapiens) 		PF00685
(Sulfotransfer_1) 		5 GLY A 178
GLY A 179
GLY A 174
PHE A 157
HIS A 117
 None
 1.21A 1wg8B-2reoA:
undetectable		 1wg8B-2reoA:
20.98
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.
2vdc GLUTAMATE SYNTHASE
[NADPH] LARGE CHAIN

(Azospirillum
brasilense) 		PF00310
(GATase_2)
PF01493
(GXGXG)
PF01645
(Glu_synthase)
PF04898
(Glu_syn_central) 		5 THR A1244
GLY A1277
GLY A1297
GLY A1299
ASP A 986
 None
 1.09A 1wg8B-2vdcA:
undetectable		 1wg8B-2vdcA:
11.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2wkw CARBOXYLESTERASE

(Alcaligenes sp.) 		no annotation 5 PRO A 231
GLY A  70
GLY A 209
PHE A 134
MET A 172
 None
W22  A 577 ( 4.0A)
None
None
None
 0.88A 1wg8B-2wkwA:
2.3		 1wg8B-2wkwA:
23.43
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.
2wu5 SUCCINATE
DEHYDROGENASE
FLAVOPROTEIN SUBUNIT

(Escherichia
coli) 		PF00890
(FAD_binding_2)
PF02910
(Succ_DH_flav_C) 		5 GLY A 396
GLN A  82
ASP A  81
ASP A  77
MET A 573
 None
 1.15A 1wg8B-2wu5A:
3.3		 1wg8B-2wu5A:
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.
2x2i ALPHA-1,4-GLUCAN
LYASE ISOZYME 1

(Gracilariopsis
lemaneiformis) 		PF01055
(Glyco_hydro_31) 		5 PRO A1031
GLY A 988
GLY A 986
SER A 984
HIS A 982
 None
 1.08A 1wg8B-2x2iA:
undetectable		 1wg8B-2x2iA:
14.98
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.
3axx 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		5 GLY A 387
GLY A 388
ASP A 385
ASP A 392
SER A 383
 None
 1.20A 1wg8B-3axxA:
undetectable		 1wg8B-3axxA:
21.04
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.
3boh CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 GLY A 106
GLY A 114
GLY A 116
ASP A  55
HIS A 108
 None
None
ACT  A1002 (-3.8A)
ACT  A1002 ( 4.4A)
None
 1.10A 1wg8B-3bohA:
undetectable		 1wg8B-3bohA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3j4p CAPSID PROTEIN VP1

(Adeno-associated
virus) 		PF00740
(Parvo_coat) 		5 THR A 562
GLY A 540
GLY A 522
SER A 527
HIS A 528
 None
 1.21A 1wg8B-3j4pA:
undetectable		 1wg8B-3j4pA:
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.
3k30 HISTAMINE
DEHYDROGENASE

(Pimelobacter
simplex) 		PF00724
(Oxidored_FMN)
PF07992
(Pyr_redox_2) 		5 THR A 242
GLY A 240
GLY A 239
SER A 189
HIS A 185
 None
 1.17A 1wg8B-3k30A:
4.1		 1wg8B-3k30A:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kci PROBABLE E3
UBIQUITIN-PROTEIN
LIGASE HERC2

(Homo sapiens) 		PF00415
(RCC1) 		5 PRO A4028
THR A3996
GLY A3963
GLY A3966
SER A4024
 None
 0.85A 1wg8B-3kciA:
undetectable		 1wg8B-3kciA:
22.66
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.
3nio GUANIDINOBUTYRASE

(Pseudomonas
aeruginosa) 		PF00491
(Arginase) 		5 PRO A 290
GLY A 126
GLY A 127
ASP A 284
PHE A  42
 None
 0.85A 1wg8B-3nioA:
undetectable		 1wg8B-3nioA:
21.18
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ol2 SEMAPHORIN-4D
PLEXIN-B1

(Homo sapiens;
Homo sapiens) 		PF00047
(ig)
PF01403
(Sema)
PF01437
(PSI)
PF01403
(Sema)
PF01437
(PSI) 		5 GLY B 178
GLY B 179
GLY B 180
ASP B  78
PHE A 393
 None
 1.12A 1wg8B-3ol2B:
undetectable		 1wg8B-3ol2B:
22.78
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.
3oyz MALATE SYNTHASE

(Haloferax
volcanii) 		PF03328
(HpcH_HpaI) 		5 THR A  19
GLY A 362
ASP A  60
ASP A  49
HIS A 101
 None
None
None
ACO  A 434 (-4.7A)
CL  A 704 (-4.0A)
 1.18A 1wg8B-3oyzA:
undetectable		 1wg8B-3oyzA:
25.98
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.
3qdk RIBULOKINASE

(Bacillus
halodurans) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 GLY A   9
GLY A  91
GLY A  89
GLN A 475
ASP A  11
 None
 1.12A 1wg8B-3qdkA:
undetectable		 1wg8B-3qdkA:
23.62
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.
3rh9 SUCCINATE-SEMIALDEHY
DE DEHYDROGENASE
(NAD(P)(+))

(Marinobacter
hydrocarbonoclasticus) 		PF00171
(Aldedh) 		5 GLY A 453
GLY A 454
GLY A 459
PHE A 114
HIS A 437
 None
 1.18A 1wg8B-3rh9A:
3.8		 1wg8B-3rh9A:
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.
3sl1 ARGINASE

(Plasmodium
falciparum) 		PF00491
(Arginase) 		5 PRO A 371
GLY A 190
GLY A 191
ASP A 365
MET A 364
 None
 1.15A 1wg8B-3sl1A:
undetectable		 1wg8B-3sl1A:
20.09
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.
3thc BETA-GALACTOSIDASE

(Homo sapiens) 		PF01301
(Glyco_hydro_35)
PF13364
(BetaGal_dom4_5) 		5 GLY A 494
GLY A 438
GLN A 411
PHE A 415
ASP A 441
 None
 1.11A 1wg8B-3thcA:
undetectable		 1wg8B-3thcA:
17.93
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tka RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H

(Escherichia
coli) 		PF01795
(Methyltransf_5) 		6 THR A  31
GLY A  33
GLY A  35
PHE A  79
ASP A 101
MET A 128
 SAM  A 400 (-3.9A)
SAM  A 400 (-3.4A)
SAM  A 400 (-4.3A)
SAM  A 400 (-3.2A)
SAM  A 400 (-3.6A)
SAM  A 400 (-3.3A)
 1.01A 1wg8B-3tkaA:
37.2		 1wg8B-3tkaA:
41.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tka RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H

(Escherichia
coli) 		PF01795
(Methyltransf_5) 		8 THR A  31
GLY A  33
GLY A  36
ASP A  57
PHE A  79
ASP A 101
SER A 105
MET A 128
 SAM  A 400 (-3.9A)
SAM  A 400 (-3.4A)
SAM  A 400 (-3.1A)
None
SAM  A 400 (-3.2A)
SAM  A 400 (-3.6A)
SAM  A 400 (-4.0A)
SAM  A 400 (-3.3A)
 0.44A 1wg8B-3tkaA:
37.2		 1wg8B-3tkaA:
41.13
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tka RIBOSOMAL RNA SMALL
SUBUNIT
METHYLTRANSFERASE H

(Escherichia
coli) 		PF01795
(Methyltransf_5) 		5 THR A  31
GLY A  35
PHE A  79
ASP A 101
SER A 105
 SAM  A 400 (-3.9A)
SAM  A 400 (-4.3A)
SAM  A 400 (-3.2A)
SAM  A 400 (-3.6A)
SAM  A 400 (-4.0A)
 0.85A 1wg8B-3tkaA:
37.2		 1wg8B-3tkaA:
41.13
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.
3tnx PAPAIN

(Carica papaya) 		PF00112
(Peptidase_C1)
PF08246
(Inhibitor_I29) 		5 GLY A 173
GLY A 172
GLY A  84
ASP A 164
PHE A 314
 None
 1.19A 1wg8B-3tnxA:
undetectable		 1wg8B-3tnxA:
19.79
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.
3u5u RAUCAFFRICINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 GLY A 106
GLY A 105
GLY A 110
PHE A 163
SER A 100
 None
 1.11A 1wg8B-3u5uA:
undetectable		 1wg8B-3u5uA:
18.91
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.
3u5u RAUCAFFRICINE-O-BETA
-D-GLUCOSIDASE

(Rauvolfia
serpentina) 		PF00232
(Glyco_hydro_1) 		5 GLY A 106
GLY A 105
GLY A 111
PHE A 163
SER A 100
 None
 1.11A 1wg8B-3u5uA:
undetectable		 1wg8B-3u5uA:
18.91
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.
3uk8 CADMIUM-SPECIFIC
CARBONIC ANHYDRASE

(Conticribra
weissflogii) 		no annotation 5 GLY A 526
GLY A 534
GLY A 536
ASP A 475
HIS A 528
 None
None
ACT  A 800 (-3.7A)
ACT  A 800 ( 4.1A)
None
 1.10A 1wg8B-3uk8A:
undetectable		 1wg8B-3uk8A:
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.
3w6m 458AA LONG
HYPOTHETICAL
ENDO-1,4-BETA-GLUCAN
ASE

(Pyrococcus
horikoshii) 		PF00150
(Cellulase) 		5 GLY A 387
GLY A 388
ASP A 385
ASP A 392
SER A 383
 None
 1.16A 1wg8B-3w6mA:
undetectable		 1wg8B-3w6mA:
20.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3wev L-LYSINE 6-OXIDASE

(Marinomonas
mediterranea) 		no annotation 5 PRO A 249
GLY A 197
GLY A 198
GLY A  15
PHE A  63
 None
 1.12A 1wg8B-3wevA:
undetectable		 1wg8B-3wevA:
16.60
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.
3wmr PROLINE
IMINOPEPTIDASE

(Streptomyces
halstedii) 		PF00561
(Abhydrolase_1) 		5 THR A  43
GLY A  69
GLY A  70
ASP A 207
ASP A  45
 None
 1.21A 1wg8B-3wmrA:
2.7		 1wg8B-3wmrA:
23.92
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.
4ad9 BETA-LACTAMASE-LIKE
PROTEIN 2

(Homo sapiens) 		PF00753
(Lactamase_B) 		5 GLY A  84
GLY A  85
GLY A  87
ASP A  81
HIS A  82
 None
None
None
ZN  A1000 (-2.8A)
ZN  A1000 (-3.4A)
 1.20A 1wg8B-4ad9A:
undetectable		 1wg8B-4ad9A:
22.22
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.
4bk1 PROBABLE SALICYLATE
MONOOXYGENASE

(Rhodococcus
jostii) 		PF01494
(FAD_binding_3) 		5 GLY A  17
GLY A  18
GLY A  14
ASP A 313
HIS A 297
 FAD  A1398 (-3.3A)
None
FAD  A1398 ( 4.6A)
None
None
 1.15A 1wg8B-4bk1A:
2.8		 1wg8B-4bk1A:
22.15
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4c4v OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 GLY A 655
GLY A 656
GLY A 662
ASP A 740
SER A 658
 None
 1.15A 1wg8B-4c4vA:
undetectable		 1wg8B-4c4vA:
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.
4d7k SAM-DEPENDENT
METHYLTRANSFERASES

(Streptomyces
davaonensis) 		PF00891
(Methyltransf_2) 		6 GLY A 295
GLY A 292
ASP A 299
PHE A 162
SER A 286
HIS A 310
 None
 1.47A 1wg8B-4d7kA:
11.0		 1wg8B-4d7kA:
25.48
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.
4da9 SHORT-CHAIN
DEHYDROGENASE/REDUCT
ASE

(Sinorhizobium
meliloti) 		PF13561
(adh_short_C2) 		5 GLY A 236
GLY A 235
GLY A 232
PHE A 240
SER A 140
 None
 1.20A 1wg8B-4da9A:
9.6		 1wg8B-4da9A:
24.61
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.
4ifr 2-AMINO-3-CARBOXYMUC
ONATE 6-SEMIALDEHYDE
DECARBOXYLASE

(Pseudomonas
fluorescens) 		PF04909
(Amidohydro_2) 		5 PRO A 274
GLY A 305
GLY A 306
ASP A   7
MET A   8
 None
 1.15A 1wg8B-4ifrA:
undetectable		 1wg8B-4ifrA:
22.25
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.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN

(Dickeya
paradisiaca) 		PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C) 		5 THR A 128
GLY A 130
GLY A 131
GLY A 156
ASP A 138
 None
 1.19A 1wg8B-4ihcA:
undetectable		 1wg8B-4ihcA:
21.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4k3b OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Neisseria
gonorrhoeae) 		PF01103
(Bac_surface_Ag)
PF07244
(POTRA) 		5 GLY A 655
GLY A 654
GLY A 665
PHE A 784
ASP A 435
 None
 1.21A 1wg8B-4k3bA:
undetectable		 1wg8B-4k3bA:
17.86
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.
4leo RECEPTOR
TYROSINE-PROTEIN
KINASE ERBB-3

(Homo sapiens) 		PF00757
(Furin-like)
PF01030
(Recep_L_domain)
PF14843
(GF_recep_IV) 		5 GLY C 314
GLY C 340
GLY C 376
ASP C 343
SER C 319
 None
 1.11A 1wg8B-4leoC:
undetectable		 1wg8B-4leoC:
18.36
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.
4myn FORMIMINOGLUTAMASE

(Trypanosoma
cruzi) 		PF00491
(Arginase) 		5 PRO A 276
GLY A 111
GLY A 112
ASP A 270
MET A 269
 None
 0.96A 1wg8B-4mynA:
5.5		 1wg8B-4mynA:
23.56
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.
4myn FORMIMINOGLUTAMASE

(Trypanosoma
cruzi) 		PF00491
(Arginase) 		5 PRO A 276
GLY A 111
GLY A 112
ASP A 270
SER A 272
 None
 1.18A 1wg8B-4mynA:
5.5		 1wg8B-4mynA:
23.56
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.
4n75 OUTER MEMBRANE
PROTEIN ASSEMBLY
FACTOR BAMA

(Escherichia
coli) 		PF01103
(Bac_surface_Ag) 		5 GLY A 655
GLY A 656
GLY A 662
ASP A 740
SER A 658
 None
 1.20A 1wg8B-4n75A:
undetectable		 1wg8B-4n75A:
21.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ucw HYDROGENASE (NIFE)
SMALL SUBUNIT HYDA

(Desulfovibrio
fructosivorans) 		PF01058
(Oxidored_q6)
PF14720
(NiFe_hyd_SSU_C) 		5 GLY A  76
GLY A  77
GLY A 132
PHE A 154
HIS A  13
 SF4  A1267 ( 4.9A)
None
None
None
None
 0.99A 1wg8B-4ucwA:
undetectable		 1wg8B-4ucwA:
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.
4xv0 BETA-XYLANASE

(Trichoderma
reesei) 		PF00331
(Glyco_hydro_10) 		5 THR A 291
GLY A 260
GLY A 259
GLY A 257
GLN A 298
 None
 1.17A 1wg8B-4xv0A:
undetectable		 1wg8B-4xv0A:
22.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xxf FUCULOSE-1-PHOSPHATE
ALDOLASE

(Glaciozyma
antarctica) 		PF00596
(Aldolase_II) 		5 PRO A  86
GLY A 110
GLY A 111
GLY A 112
HIS A  81
 None
 1.00A 1wg8B-4xxfA:
undetectable		 1wg8B-4xxfA:
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.
4yji ARYL ACYLAMIDASE

(bacterium
CSBL00001) 		PF01425
(Amidase) 		5 GLY A 181
GLY A 180
ASP A 183
PHE A  87
SER A 164
 None
None
TYL  A 502 ( 4.8A)
None
None
 1.17A 1wg8B-4yjiA:
undetectable		 1wg8B-4yjiA:
22.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4zdn AT-LESS POLYKETIDE
SYNTHASE

(Streptomyces
platensis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 678
GLY A 753
GLY A 795
ASP A 724
SER A 729
 None
 1.16A 1wg8B-4zdnA:
undetectable		 1wg8B-4zdnA:
19.34
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.
5c2c FORM II RUBISCO

(Gallionella) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 THR A 391
GLY A 393
GLY A 394
GLY A 370
PHE A 189
 KCX  A 191 ( 2.9A)
None
None
None
KCX  A 191 ( 4.0A)
 0.70A 1wg8B-5c2cA:
undetectable		 1wg8B-5c2cA:
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.
5dwz 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
SYNTHASE 3

(Pseudomonas
aeruginosa) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 PRO C  14
GLY C 298
GLY C  45
SER C 304
HIS C 269
 None
None
None
None
PO4  C 401 (-3.9A)
 1.21A 1wg8B-5dwzC:
undetectable		 1wg8B-5dwzC:
19.55
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.
5ejj UFM1-SPECIFIC
PROTEASE

(Caenorhabditis
elegans) 		PF07910
(Peptidase_C78) 		5 THR A  69
GLY A  46
GLY A  45
GLN A  74
ASP A  67
 None
 1.13A 1wg8B-5ejjA:
undetectable		 1wg8B-5ejjA:
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.
5eny POLYKETIDE SYNTHASE
PKSL

(Bacillus
subtilis) 		PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc) 		5 GLY A 122
GLY A 195
GLY A 237
ASP A 166
SER A 171
 None
 1.15A 1wg8B-5enyA:
undetectable		 1wg8B-5enyA:
18.42
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.
5f75 THIOCYANATE
DEHYDROGENASE

(Thioalkalivibrio
paradoxus) 		no annotation 5 PRO A 132
GLY A 526
GLY A 102
GLY A 106
HIS A 482
 None
 1.13A 1wg8B-5f75A:
undetectable		 1wg8B-5f75A:
19.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5g56 CARBOHYDRATE BINDING
FAMILY 6

(Ruminiclostridium
thermocellum) 		PF00150
(Cellulase)
PF03422
(CBM_6) 		5 PRO A 177
THR A 261
GLY A 219
GLY A 221
GLN A 259
 None
 0.99A 1wg8B-5g56A:
undetectable		 1wg8B-5g56A:
15.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5glg FUMARATE REDUCTASE 2

(Saccharomyces
cerevisiae) 		PF00890
(FAD_binding_2) 		5 PRO A 115
GLY A 474
GLY A 113
ASP A 327
SER A 108
 None
 1.18A 1wg8B-5glgA:
2.8		 1wg8B-5glgA:
21.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5hql RIBULOSE
BISPHOSPHATE
CARBOXYLASE

(Rhodopseudomonas
palustris) 		PF00016
(RuBisCO_large)
PF02788
(RuBisCO_large_N) 		5 THR A 392
GLY A 394
GLY A 395
GLY A 371
PHE A 190
 KCX  A 192 ( 3.1A)
CAP  A 500 (-3.4A)
CAP  A 500 (-3.7A)
CAP  A 500 (-3.4A)
KCX  A 192 ( 4.0A)
 0.85A 1wg8B-5hqlA:
undetectable		 1wg8B-5hqlA:
22.29
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.
5j84 DIHYDROXY-ACID
DEHYDRATASE

(Rhizobium
leguminosarum) 		PF00920
(ILVD_EDD) 		5 GLY A 151
GLY A 150
GLY A 126
ASP A 230
PHE A 323
 None
 1.17A 1wg8B-5j84A:
3.6		 1wg8B-5j84A:
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.
5k59 UNCHARACTERIZED
LEUKOCIDIN-LIKE
PROTEIN 1

(Staphylococcus
aureus) 		no annotation 5 THR B 222
GLY B 226
GLY B  62
GLY B  64
GLN B 149
 None
 1.10A 1wg8B-5k59B:
undetectable		 1wg8B-5k59B:
20.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5lhv URIDINE
PHOSPHORYLASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 THR A  50
GLY A  25
GLY A  67
GLN A  31
PHE A  42
 None
SO4  A 301 (-3.3A)
NA  A 307 ( 4.0A)
None
None
 1.19A 1wg8B-5lhvA:
undetectable		 1wg8B-5lhvA:
25.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nth PUTATIVE
AMINOPEPTIDASE

(Leishmania
major) 		PF00883
(Peptidase_M17) 		5 THR A 321
GLY A 324
GLY A 325
GLY A 300
ASP A 322
 None
None
None
None
MN  A 602 (-2.3A)
 1.16A 1wg8B-5nthA:
undetectable		 1wg8B-5nthA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5oex -

(-) 		no annotation 5 PRO A 132
GLY A 526
GLY A 102
GLY A 106
HIS A 482
 None
None
None
None
CU  A 604 (-3.2A)
 1.14A 1wg8B-5oexA:
undetectable		 1wg8B-5oexA:
21.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5sv6 EXTRACELLULAR
SOLUTE-BINDING
PROTEIN, FAMILY 3

(Methylophaga
aminisulfidivorans) 		PF00497
(SBP_bac_3) 		5 THR A 109
GLY A  99
GLN A 252
ASP A 251
ASP A 104
 None
 1.18A 1wg8B-5sv6A:
undetectable		 1wg8B-5sv6A:
20.69
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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		5 PRO A 553
GLY A 629
GLY A 550
GLY A 547
ASP A 633
 None
 1.13A 1wg8B-5svcA:
undetectable		 1wg8B-5svcA:
16.04
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.
5svc ACETONE CARBOXYLASE
ALPHA SUBUNIT

(Xanthobacter
autotrophicus) 		PF02538
(Hydantoinase_B) 		5 PRO A 626
GLY A 629
GLY A 551
GLY A 547
ASP A 633
 None
 1.07A 1wg8B-5svcA:
undetectable		 1wg8B-5svcA:
16.04
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.
5thm ESTERASE-6

(Drosophila
melanogaster) 		PF00135
(COesterase) 		5 GLY A 186
GLY A 190
GLY A 108
PHE A 473
SER A 212
 None
None
7BZ  A 601 ( 3.6A)
None
None
 1.20A 1wg8B-5thmA:
undetectable		 1wg8B-5thmA:
19.59
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.
5vgr ATLASTIN-3

(Homo sapiens) 		PF02263
(GBP)
PF02841
(GBP_C) 		5 THR A 261
GLY A 228
GLY A 227
GLY A 224
ASP A 233
 None
 1.16A 1wg8B-5vgrA:
undetectable		 1wg8B-5vgrA:
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.
5zzn -

(-) 		no annotation 5 GLY V  43
GLY V  44
GLY V 132
GLN V  34
HIS V 118
 None
 1.07A 1wg8B-5zznV:
undetectable		 1wg8B-5zznV:
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.
6cip PYRUVATE-FERREDOXIN
OXIDOREDUCTASE

(Moorella
thermoacetica) 		no annotation 5 GLY A 965
GLY A 966
GLY A 968
PHE A 872
SER A 838
 None
HTL  A1204 (-3.5A)
HTL  A1204 (-3.3A)
None
HTL  A1204 ( 4.6A)
 0.99A 1wg8B-6cipA:
2.9		 1wg8B-6cipA:
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.
6fik POLYKETIDE SYNTHASE

(Cercospora
nicotianae) 		no annotation 5 GLY A 504
GLY A 579
GLY A 578
ASP A 550
SER A 555
 None
 1.15A 1wg8B-6fikA:
undetectable		 1wg8B-6fikA:
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.
6fnu METHYLENETETRAHYDROF
OLATE REDUCTASE 1

(Saccharomyces
cerevisiae) 		no annotation 5 THR A  82
GLY A  53
GLY A  54
GLY A  51
ASP A 110
 None
None
None
FAD  A 701 ( 4.9A)
None
 1.08A 1wg8B-6fnuA:
undetectable		 1wg8B-6fnuA:
undetectable