SIMILAR PATTERNS OF AMINO ACIDS FOR 2W98_A_P1ZA1351

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.
1cnv CONCANAVALIN B

(Canavalia
ensiformis) 		PF00704
(Glyco_hydro_18) 		5 TYR A 259
PHE A 188
LEU A 249
VAL A 248
LEU A 252
 None
 1.47A 2w98A-1cnvA:
undetectable		 2w98A-1cnvA:
22.05
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1dlc DELTA-ENDOTOXIN
CRYIIIA

(Bacillus
thuringiensis) 		PF00555
(Endotoxin_M)
PF03944
(Endotoxin_C)
PF03945
(Endotoxin_N) 		5 TYR A 214
ILE A 213
PHE A 206
LEU A 147
VAL A 144
 None
 1.37A 2w98A-1dlcA:
undetectable		 2w98A-1dlcA:
20.44
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.
1e6v METHYL-COENZYME M
REDUCTASE I ALPHA
SUBUNIT

(Methanopyrus
kandleri) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ILE A 239
TYR A 135
LEU A 119
VAL A 118
LEU A 123
 None
 1.18A 2w98A-1e6vA:
undetectable		 2w98A-1e6vA:
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.
1hm6 ANNEXIN 1

(Sus scrofa) 		PF00191
(Annexin) 		5 TYR A 240
MET A   3
LEU A 233
VAL A 268
LEU A 225
 None
 1.33A 2w98A-1hm6A:
undetectable		 2w98A-1hm6A:
22.59
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.
1inp INOSITOL
POLYPHOSPHATE
1-PHOSPHATASE

(Bos taurus) 		PF00459
(Inositol_P) 		5 TYR A 220
ILE A 201
TYR A 293
LEU A 300
LEU A 233
 None
 1.44A 2w98A-1inpA:
undetectable		 2w98A-1inpA:
23.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1kve SMK TOXIN

(Millerozyma
farinosa) 		no annotation 5 ILE A  61
PHE B 182
MET A  25
LEU A  21
LEU B 177
 None
 0.99A 2w98A-1kveA:
undetectable		 2w98A-1kveA:
11.34
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.
1nq4 OXYTETRACYCLINE
POLYKETIDE SYNTHASE
ACYL CARRIER PROTEIN

(Streptomyces
rimosus) 		PF00550
(PP-binding) 		5 ILE A  74
PHE A  34
TYR A  55
LEU A  12
LEU A  13
 None
 1.47A 2w98A-1nq4A:
undetectable		 2w98A-1nq4A:
14.37
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r4p SHIGA-LIKE TOXIN
TYPE II A SUBUNIT

(Escherichia
coli) 		PF00161
(RIP) 		5 TYR A  13
ILE A   5
PHE A 178
LEU A  57
LEU A 135
 None
 1.13A 2w98A-1r4pA:
undetectable		 2w98A-1r4pA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sa3 TYPE II RESTRICTION
ENZYME MSPI

(Moraxella sp.) 		PF09208
(Endonuc-MspI) 		5 TYR A  51
TYR A  37
ILE A  41
LEU A   6
LEU A   9
 None
 1.36A 2w98A-1sa3A:
undetectable		 2w98A-1sa3A:
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.
1tff UBIQUITIN
THIOLESTERASE
PROTEIN OTUB2

(Homo sapiens) 		PF10275
(Peptidase_C65) 		5 TYR A  60
PHE A 102
LEU A  64
VAL A 109
LEU A  61
 None
 1.27A 2w98A-1tffA:
undetectable		 2w98A-1tffA:
22.41
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.
1uch UBIQUITIN C-TERMINAL
HYDROLASE UCH-L3

(Homo sapiens) 		PF01088
(Peptidase_C12) 		5 ILE A 101
TYR A 137
TYR A 141
LEU A  23
LEU A  25
 None
 1.50A 2w98A-1uchA:
undetectable		 2w98A-1uchA:
22.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vcv PROBABLE
DEOXYRIBOSE-PHOSPHAT
E ALDOLASE

(Pyrobaculum
aerophilum) 		PF01791
(DeoC) 		5 TYR A 134
ILE A 145
TYR A 183
LEU A 104
VAL A 100
 None
 1.14A 2w98A-1vcvA:
undetectable		 2w98A-1vcvA:
18.66
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.
1xpo RHO TRANSCRIPTION
TERMINATION FACTOR

(Escherichia
coli) 		PF00006
(ATP-synt_ab)
PF07497
(Rho_RNA_bind)
PF07498
(Rho_N) 		5 MET A 219
TYR A  72
LEU A 207
VAL A 206
LEU A 208
 None
 1.42A 2w98A-1xpoA:
undetectable		 2w98A-1xpoA:
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.
2bd0 SEPIAPTERIN
REDUCTASE

(Chlorobaculum
tepidum) 		PF00106
(adh_short) 		5 ILE A  18
TYR A 221
LEU A  36
VAL A  37
LEU A  38
 None
 1.41A 2w98A-2bd0A:
7.4		 2w98A-2bd0A:
20.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bl0 MYOSIN REGULATORY
LIGHT CHAIN

(Physarum
polycephalum) 		PF00036
(EF-hand_1)
PF13499
(EF-hand_7) 		5 PHE B 134
MET B 118
LEU B 109
VAL B 114
LEU B 102
 None
 1.11A 2w98A-2bl0B:
undetectable		 2w98A-2bl0B:
16.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d1h 109AA LONG
HYPOTHETICAL
TRANSCRIPTIONAL
REGULATOR

(Sulfurisphaera
tokodaii) 		PF01978
(TrmB) 		5 TYR A  17
ILE A  13
LEU A  65
VAL A  66
LEU A  60
 None
 1.14A 2w98A-2d1hA:
undetectable		 2w98A-2d1hA:
14.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dy0 ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Escherichia
coli) 		PF00156
(Pribosyltran) 		5 TYR A  41
ILE A  45
LEU A  35
VAL A  31
LEU A  34
 None
 1.12A 2w98A-2dy0A:
2.6		 2w98A-2dy0A:
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.
2ep7 GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE

(Aquifex
aeolicus) 		PF00044
(Gp_dh_N)
PF02800
(Gp_dh_C) 		5 TYR A 139
ILE A 128
LEU A 337
VAL A 334
LEU A 333
 None
 1.42A 2w98A-2ep7A:
4.2		 2w98A-2ep7A:
21.08
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.
2g3n ALPHA-GLUCOSIDASE

(Sulfolobus
solfataricus) 		PF01055
(Glyco_hydro_31)
PF13802
(Gal_mutarotas_2) 		5 TYR A 467
PHE A 474
TYR A  91
LEU A 424
LEU A 470
 None
 1.41A 2w98A-2g3nA:
undetectable		 2w98A-2g3nA:
19.88
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.
2jhn 3-METHYLADENINE
DNA-GLYCOSYLASE

(Archaeoglobus
fulgidus) 		PF00730
(HhH-GPD) 		5 TYR A 251
TYR A 284
PHE A 270
VAL A 243
LEU A 281
 None
 1.23A 2w98A-2jhnA:
undetectable		 2w98A-2jhnA:
24.27
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.
2jjq UNCHARACTERIZED RNA
METHYLTRANSFERASE
PYRAB10780

(Pyrococcus
abyssi) 		PF05958
(tRNA_U5-meth_tr) 		5 TYR A 364
TYR A 278
MET A 378
LEU A 350
VAL A 351
 None
SAH  A1406 (-4.7A)
None
None
None
 1.38A 2w98A-2jjqA:
6.9		 2w98A-2jjqA:
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.
2p67 LAO/AO TRANSPORT
SYSTEM KINASE

(Escherichia
coli) 		PF03308
(ArgK) 		5 ILE A 254
PHE A  74
LEU A  83
VAL A  85
LEU A  78
 None
 1.31A 2w98A-2p67A:
undetectable		 2w98A-2p67A:
23.72
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.
2q9v MEMBRANE-ASSOCIATED
GUANYLATE KINASE, WW
AND PDZ
DOMAIN-CONTAINING
PROTEIN 1

(Homo sapiens) 		PF00595
(PDZ) 		5 ILE A 870
MET A 908
LEU A 844
VAL A 917
LEU A 919
 None
 1.26A 2w98A-2q9vA:
undetectable		 2w98A-2q9vA:
14.69
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.
2r09 CYTOHESIN-3

(Mus musculus) 		PF00169
(PH)
PF01369
(Sec7) 		5 ILE A 225
PHE A 218
LEU A 145
VAL A 146
LEU A 239
 PE5  A 407 ( 4.4A)
None
None
None
None
 1.35A 2w98A-2r09A:
undetectable		 2w98A-2r09A:
20.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2w5h SERINE/THREONINE-PRO
TEIN KINASE NEK2

(Homo sapiens) 		PF00069
(Pkinase) 		5 ILE A  98
PHE A 112
TYR A 182
VAL A 155
LEU A 149
 None
 1.45A 2w98A-2w5hA:
undetectable		 2w98A-2w5hA:
21.60
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.
2z65 TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B

(Eptatretus
burgeri;
Homo sapiens) 		PF11921
(DUF3439)
PF13306
(LRR_5)
PF13855
(LRR_8) 		5 ILE A  93
PHE A 144
LEU A 107
VAL A 132
LEU A 131
 None
 1.44A 2w98A-2z65A:
undetectable		 2w98A-2z65A:
22.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zb3 PROSTAGLANDIN
REDUCTASE 2

(Mus musculus) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		7 TYR A  51
TYR A  64
PHE A  99
TYR A 259
TYR A 265
VAL A 289
LEU A 290
 None
None
None
NDP  A 900 (-4.5A)
None
NDP  A 900 (-3.7A)
None
 0.59A 2w98A-2zb3A:
34.0		 2w98A-2zb3A:
85.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2zb4 PROSTAGLANDIN
REDUCTASE 2

(Homo sapiens) 		PF00107
(ADH_zinc_N)
PF16884
(ADH_N_2) 		7 TYR A  51
ILE A  65
TYR A 259
TYR A 265
LEU A 288
VAL A 289
LEU A 290
 5OP  A 600 (-3.4A)
5OP  A 600 ( 4.6A)
NAP  A 500 (-4.4A)
None
NAP  A 500 (-4.7A)
NAP  A 500 ( 3.6A)
5OP  A 600 (-3.7A)
 0.87A 2w98A-2zb4A:
57.6		 2w98A-2zb4A:
97.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bcz PROTEIN MEMO1

(Homo sapiens) 		PF01875
(Memo) 		5 ILE A 154
PHE A 173
TYR A  96
VAL A 158
LEU A  77
 None
 1.41A 2w98A-3bczA:
undetectable		 2w98A-3bczA:
20.84
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.
3dwi CYSTEINE SYNTHASE B

(Mycobacterium
tuberculosis) 		PF00291
(PALP) 		5 ILE A 260
TYR A 306
LEU A 270
VAL A 269
LEU A 291
 None
 1.45A 2w98A-3dwiA:
4.3		 2w98A-3dwiA:
21.54
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.
3fmy HTH-TYPE
TRANSCRIPTIONAL
REGULATOR MQSA
(YGIT/B3021)

(Escherichia
coli) 		PF15731
(MqsA_antitoxin) 		5 ILE A  91
PHE A  99
LEU A 120
VAL A  77
LEU A 117
 None
 1.41A 2w98A-3fmyA:
undetectable		 2w98A-3fmyA:
13.11
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.
3fxi TOLL-LIKE RECEPTOR 4

(Homo sapiens) 		PF13516
(LRR_6)
PF13855
(LRR_8) 		5 ILE A  93
PHE A 144
LEU A 107
VAL A 132
LEU A 131
 None
 1.40A 2w98A-3fxiA:
undetectable		 2w98A-3fxiA:
20.23
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.
3glq ADENOSYLHOMOCYSTEINA
SE

(Burkholderia
pseudomallei) 		PF00670
(AdoHcyase_NAD)
PF05221
(AdoHcyase) 		5 ILE A 362
MET A 330
LEU A 380
VAL A 339
LEU A 379
 None
 1.40A 2w98A-3glqA:
9.0		 2w98A-3glqA:
20.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3hgo 12-OXOPHYTODIENOATE
REDUCTASE 3

(Solanum
lycopersicum) 		PF00724
(Oxidored_FMN) 		5 TYR A 276
ILE A 317
PHE A  59
TYR A 312
LEU A  23
 None
 1.32A 2w98A-3hgoA:
undetectable		 2w98A-3hgoA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i3l ALKYLHALIDASE CMLS

(Streptomyces
venezuelae) 		PF04820
(Trp_halogenase) 		5 PHE A 456
TYR A 495
LEU A 522
VAL A 519
LEU A 518
 None
 1.31A 2w98A-3i3lA:
3.2		 2w98A-3i3lA:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l0s ADENYLATE KINASE

(Desulfovibrio
gigas) 		PF00406
(ADK) 		5 ILE A 106
TYR A 190
LEU A  69
VAL A  68
LEU A  72
 None
 1.33A 2w98A-3l0sA:
undetectable		 2w98A-3l0sA:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l6a EUKARYOTIC
TRANSLATION
INITIATION FACTOR 4
GAMMA 2

(Homo sapiens) 		PF02020
(W2)
PF02847
(MA3) 		5 ILE A 114
PHE A 137
MET A 164
LEU A 153
LEU A 141
 None
 1.12A 2w98A-3l6aA:
undetectable		 2w98A-3l6aA:
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.
3nra ASPARTATE
AMINOTRANSFERASE

(Rhodobacter
sphaeroides) 		PF00155
(Aminotran_1_2) 		5 TYR A 195
ILE A 200
PHE A 182
LEU A 168
LEU A 171
 None
 1.50A 2w98A-3nraA:
2.7		 2w98A-3nraA:
21.46
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.
3ntl ACID
GLUCOSE-1-PHOSPHATE
PHOSPHATASE

(Enterobacter
cloacae) 		PF00328
(His_Phos_2) 		5 MET A 384
TYR A  86
LEU A 263
VAL A 264
LEU A 294
 None
 1.33A 2w98A-3ntlA:
undetectable		 2w98A-3ntlA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ntl ACID
GLUCOSE-1-PHOSPHATE
PHOSPHATASE

(Enterobacter
cloacae) 		PF00328
(His_Phos_2) 		5 PHE A 320
MET A 384
LEU A 263
VAL A 264
LEU A 294
 None
 1.46A 2w98A-3ntlA:
undetectable		 2w98A-3ntlA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3ozv FLAVOHEMOGLOBIN

(Cupriavidus
necator) 		no annotation 5 TYR B  64
ILE B  68
LEU B 129
VAL B 132
LEU B  78
 DGG  B 406 ( 4.5A)
None
HEM  B 404 ( 4.3A)
None
None
 1.34A 2w98A-3ozvB:
undetectable		 2w98A-3ozvB:
22.84
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.
3pnd THIAMINE
BIOSYNTHESIS
LIPOPROTEIN APBE

(Salmonella
enterica) 		PF02424
(ApbE) 		5 ILE A 122
MET A  41
TYR A 179
LEU A  84
LEU A  75
 None
FAD  A 500 (-3.7A)
None
None
FAD  A 500 ( 4.5A)
 1.38A 2w98A-3pndA:
undetectable		 2w98A-3pndA:
21.08
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.
3rft URONATE
DEHYDROGENASE

(Agrobacterium
fabrum) 		PF01370
(Epimerase) 		5 PHE A 193
TYR A  95
LEU A   7
VAL A   8
LEU A   6
 None
 1.45A 2w98A-3rftA:
5.5		 2w98A-3rftA:
20.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3se4 INTERFERON OMEGA-1

(Homo sapiens) 		PF00143
(Interferon) 		5 ILE B 150
PHE B  40
MET B  44
VAL B  58
LEU B 122
 None
 1.37A 2w98A-3se4B:
undetectable		 2w98A-3se4B:
19.61
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.
3w79 FMN-DEPENDENT
NADH-AZOREDUCTASE

(Bacillus sp.
B29) 		PF02525
(Flavodoxin_2) 		5 ILE A   7
PHE A  90
LEU A 166
VAL A 169
LEU A 170
 None
 1.34A 2w98A-3w79A:
undetectable		 2w98A-3w79A:
18.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zf4 DUTPASE

(Staphylococcus
virus 80alpha) 		PF00692
(dUTPase) 		5 TYR A  27
ILE A 140
MET A  16
LEU A  88
VAL A  49
 None
None
None
DUP  A 777 (-4.6A)
None
 1.16A 2w98A-3zf4A:
undetectable		 2w98A-3zf4A:
22.19
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.
3zib RAP2A SMA2265

(Serratia
marcescens) 		PF16695
(Tai4) 		5 TYR A  37
TYR A  69
LEU A 111
VAL A 106
LEU A 105
 None
 1.43A 2w98A-3zibA:
undetectable		 2w98A-3zibA:
15.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bj4 AMPDH2

(Pseudomonas
aeruginosa) 		PF01471
(PG_binding_1)
PF01510
(Amidase_2) 		5 ILE A 105
PHE A 168
LEU A 178
VAL A 179
LEU A 173
 None
 1.40A 2w98A-4bj4A:
undetectable		 2w98A-4bj4A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4bko PUTATIVE REDUCTASE
BURPS305_1051

(Burkholderia
pseudomallei) 		PF07055
(Eno-Rase_FAD_bd)
PF12241
(Enoyl_reductase)
PF12242
(Eno-Rase_NADH_b) 		5 TYR A 235
ILE A 281
LEU A 181
VAL A 164
LEU A 166
 MES  A1399 (-4.8A)
None
None
None
None
 1.42A 2w98A-4bkoA:
7.0		 2w98A-4bkoA:
19.95
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.
4djt GTP-BINDING NUCLEAR
PROTEIN GSP1

(Encephalitozoon
cuniculi) 		PF00071
(Ras) 		5 TYR A 147
PHE A  88
LEU A 140
VAL A 139
LEU A  99
 None
 1.28A 2w98A-4djtA:
2.6		 2w98A-4djtA:
20.79
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.
4dou ADIPONECTIN

(Homo sapiens) 		PF00386
(C1q) 		5 PHE A 273
TYR A 159
TYR A 300
LEU A 316
LEU A 354
 None
 1.40A 2w98A-4douA:
undetectable		 2w98A-4douA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f6c AUSA REDUCTASE
DOMAIN PROTEIN

(Staphylococcus
aureus) 		PF07993
(NAD_binding_4) 		5 ILE A2385
PHE A2274
LEU A2311
VAL A2307
LEU A2310
 None
 1.46A 2w98A-4f6cA:
5.9		 2w98A-4f6cA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fai CG5976, ISOFORM B

(Drosophila
melanogaster) 		PF04389
(Peptidase_M28) 		5 TYR A 280
ILE A 338
TYR A 248
LEU A 308
LEU A 230
 None
 1.46A 2w98A-4faiA:
undetectable		 2w98A-4faiA:
19.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4g8z DIHYDROFOLATE
REDUCTASE

(Pneumocystis
jirovecii) 		PF00186
(DHFR_1) 		5 ILE X  33
MET X  57
TYR X  35
VAL X  55
LEU X  72
 TOP  X 301 ( 4.4A)
None
None
None
None
 1.27A 2w98A-4g8zX:
undetectable		 2w98A-4g8zX:
19.83
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.
4gv8 DUTPASE

(Staphylococcus
virus 11) 		PF00692
(dUTPase) 		5 TYR A  27
ILE A 139
MET A  16
LEU A  88
VAL A  49
 None
None
None
DUP  A 201 (-4.7A)
None
 1.21A 2w98A-4gv8A:
undetectable		 2w98A-4gv8A:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nfu EDS1

(Arabidopsis
thaliana) 		PF01764
(Lipase_3) 		5 PHE A 275
MET A 293
TYR A 229
VAL A 350
LEU A 348
 None
 1.39A 2w98A-4nfuA:
undetectable		 2w98A-4nfuA:
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.
4obu PYRIDOXAL-DEPENDENT
DECARBOXYLASE DOMAIN
PROTEIN

([Ruminococcus]
gnavus) 		no annotation 5 ILE E 300
MET E 408
LEU E 282
VAL E 281
LEU E 291
 None
 1.49A 2w98A-4obuE:
undetectable		 2w98A-4obuE:
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.
4q51 UNCHARACTERIZED
PROTEIN

(Burkholderia
cenocepacia) 		PF10703
(MoaF)
PF17409
(MoaF_C) 		5 PHE A 118
TYR A 206
TYR A 204
VAL A 253
LEU A 251
 None
 1.39A 2w98A-4q51A:
undetectable		 2w98A-4q51A:
20.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rn3 HAD SUPERFAMILY
HYDROLASE

(Geobacter
sulfurreducens) 		PF13419
(HAD_2) 		5 TYR A  15
PHE A  99
MET A  95
LEU A 126
LEU A 131
 None
 1.44A 2w98A-4rn3A:
4.3		 2w98A-4rn3A:
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.
4uvj COHESIN SUBUNIT SCC3

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 840
PHE A 832
MET A 859
TYR A 925
LEU A 903
 None
 1.47A 2w98A-4uvjA:
undetectable		 2w98A-4uvjA:
21.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xgx FAD:PROTEIN FMN
TRANSFERASE

(Escherichia
coli) 		PF02424
(ApbE) 		5 ILE A 104
MET A  23
TYR A 161
LEU A  66
LEU A  57
 ADP  A 403 ( 4.9A)
None
None
None
None
 1.27A 2w98A-4xgxA:
undetectable		 2w98A-4xgxA:
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.
4xyd NITRIC-OXIDE
REDUCTASE SUBUNIT B

(Roseobacter
denitrificans) 		PF00115
(COX1) 		5 ILE A 157
PHE A 277
MET A 281
TYR A 353
VAL A 219
 None
 1.37A 2w98A-4xydA:
undetectable		 2w98A-4xydA:
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.
4zsx UNCHARACTERIZED
FUSION PROTEIN

(Aquifex
aeolicus;
Pseudomonas
aeruginosa) 		PF06557
(DUF1122) 		5 TYR A  87
PHE A  77
TYR A 131
LEU A  50
LEU A  48
 None
 1.49A 2w98A-4zsxA:
undetectable		 2w98A-4zsxA:
19.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5a8r METHYL-COENZYME M
REDUCTASE II SUBUNIT
ALPHA

(Methanothermobacter
marburgensis) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ILE A 239
TYR A 135
LEU A 119
VAL A 118
LEU A 123
 None
 1.24A 2w98A-5a8rA:
undetectable		 2w98A-5a8rA:
21.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ahk ACETOLACTATE
SYNTHASE II, LARGE
SUBUNIT

(Pseudomonas
protegens) 		PF00205
(TPP_enzyme_M)
PF02775
(TPP_enzyme_C)
PF02776
(TPP_enzyme_N) 		5 PHE A 298
MET A 286
TYR A 257
VAL A 281
LEU A 279
 None
 1.39A 2w98A-5ahkA:
undetectable		 2w98A-5ahkA:
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.
5b6h ADENINE
PHOSPHORIBOSYLTRANSF
ERASE

(Yersinia
pseudotuberculosis) 		PF00156
(Pribosyltran) 		5 TYR A  45
ILE A  49
LEU A  39
VAL A  35
LEU A  38
 None
 1.04A 2w98A-5b6hA:
4.6		 2w98A-5b6hA:
17.36
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.
5bv9 CELLULOSE
1,4-BETA-CELLOBIOSID
ASE

(Bacillus
pumilus) 		PF02011
(Glyco_hydro_48) 		5 ILE A 460
TYR A 580
LEU A 538
VAL A 537
LEU A 541
 None
 1.46A 2w98A-5bv9A:
undetectable		 2w98A-5bv9A:
18.27
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.
5cct DUTPASE

(Staphylococcus
virus 80alpha) 		PF00692
(dUTPase) 		5 TYR A  27
ILE A 140
MET A  16
LEU A  88
VAL A  49
 None
 1.26A 2w98A-5cctA:
undetectable		 2w98A-5cctA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ere EXTRACELLULAR
LIGAND-BINDING
RECEPTOR

(Desulfohalobium
retbaense) 		PF13458
(Peripla_BP_6) 		5 TYR A 191
ILE A 198
LEU A 213
VAL A 214
LEU A 215
 None
 1.47A 2w98A-5ereA:
5.3		 2w98A-5ereA:
20.21
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ezb CHICKEN PRESTIN STAS
DOMAIN,CHICKEN
PRESTIN STAS DOMAIN

(Gallus gallus) 		PF01740
(STAS) 		5 ILE A 679
PHE A 708
MET A 699
TYR A 558
LEU A 717
 None
 1.44A 2w98A-5ezbA:
undetectable		 2w98A-5ezbA:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f15 4-AMINO-4-DEOXY-L-AR
ABINOSE (L-ARA4N)
TRANSFERASE

(Cupriavidus
metallidurans) 		PF13231
(PMT_2) 		5 TYR A 218
ILE A 326
PHE A 318
LEU A 169
LEU A 173
 None
MPG  A 612 ( 4.7A)
None
5TR  A 681 ( 4.3A)
None
 1.40A 2w98A-5f15A:
undetectable		 2w98A-5f15A:
18.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fk0 COATOMER SUBUNIT
DELTA

(Saccharomyces
cerevisiae) 		PF00928
(Adap_comp_sub) 		5 TYR A 543
ILE A 397
PHE A 500
LEU A 314
VAL A 298
 None
 1.38A 2w98A-5fk0A:
undetectable		 2w98A-5fk0A:
22.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gja 1-AMINOCYCLOPROPANE-
1-CARBOXYLATE
OXIDASE 2

(Arabidopsis
thaliana) 		PF03171
(2OG-FeII_Oxy)
PF14226
(DIOX_N) 		5 ILE A 187
PHE A  36
TYR A 287
VAL A 239
LEU A 198
 6PC  A 402 ( 4.7A)
None
None
None
None
 1.47A 2w98A-5gjaA:
undetectable		 2w98A-5gjaA:
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.
5gzt CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 ILE B 686
PHE B 670
TYR B 587
LEU B 715
LEU B 714
 None
 1.41A 2w98A-5gztB:
undetectable		 2w98A-5gztB:
15.34
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.
5gzu CHITINASE

(Paenibacillus
sp. FPU-7) 		PF00704
(Glyco_hydro_18) 		5 ILE A 686
PHE A 670
TYR A 587
LEU A 715
LEU A 714
 None
 1.42A 2w98A-5gzuA:
undetectable		 2w98A-5gzuA:
17.84
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.
5icg (S)-NORCOCLAURINE
6-O-METHYLTRANSFERAS
E

(Thalictrum
flavum) 		PF00891
(Methyltransf_2)
PF08100
(Dimerisation) 		5 ILE A  39
PHE A  79
LEU A  66
VAL A  69
LEU A  70
 None
 1.21A 2w98A-5icgA:
undetectable		 2w98A-5icgA:
20.05
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.
5ijb TOLL-LIKE RECEPTOR
4, VARIABLE
LYMPHOCYTE RECEPTOR
B CHIMERA

(Eptatretus
burgeri;
Mus musculus) 		PF00560
(LRR_1)
PF11921
(DUF3439)
PF13855
(LRR_8) 		5 ILE A  92
PHE A 143
LEU A 106
VAL A 131
LEU A 130
 None
 1.37A 2w98A-5ijbA:
undetectable		 2w98A-5ijbA:
18.95
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.
5jbe INACTIVE
GLUCANSUCRASE

(Lactobacillus
reuteri) 		PF02324
(Glyco_hydro_70) 		5 TYR A1385
MET A1423
LEU A1474
VAL A1476
LEU A1469
 None
 1.17A 2w98A-5jbeA:
2.4		 2w98A-5jbeA:
17.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mjr PROTEIN THF1

(Thermosynechococcus
elongatus) 		PF11264
(ThylakoidFormat) 		5 ILE A  76
PHE A  63
TYR A  15
LEU A  34
LEU A  33
 None
 1.15A 2w98A-5mjrA:
undetectable		 2w98A-5mjrA:
21.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5mm7 -

(-) 		no annotation 5 ILE K  78
PHE K 178
LEU K 389
VAL K 385
LEU K 411
 None
 1.29A 2w98A-5mm7K:
undetectable		 2w98A-5mm7K:
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.
5mzo UDP-GLUCOSE-GLYCOPRO
TEIN
GLUCOSYLTRANSFERASE-
LIKE PROTEIN

(Chaetomium
thermophilum) 		PF06427
(UDP-g_GGTase) 		5 TYR A 212
TYR A  61
LEU A  49
VAL A  46
LEU A  45
 None
 1.27A 2w98A-5mzoA:
undetectable		 2w98A-5mzoA:
12.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5n28 METHYL-COENZYME M
REDUCTASE SUBUNIT
ALPHA

(Methanotorris
formicicus) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 ILE A 239
TYR A 135
LEU A 119
VAL A 118
LEU A 123
 None
 1.27A 2w98A-5n28A:
undetectable		 2w98A-5n28A:
20.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ogl UNDECAPRENYL-DIPHOSP
HOOLIGOSACCHARIDE--P
ROTEIN
GLYCOTRANSFERASE

(Campylobacter
lari) 		no annotation 5 TYR A 125
ILE A 171
TYR A 213
LEU A 349
LEU A 386
 None
 1.30A 2w98A-5oglA:
2.4		 2w98A-5oglA:
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.
5swi SUGAR HYDROLASE

(Streptococcus
pneumoniae) 		no annotation 5 TYR B 625
ILE B 673
LEU B 646
VAL B 637
LEU B 639
 None
 1.46A 2w98A-5swiB:
undetectable		 2w98A-5swiB:
18.74
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.
5tii 3-OXOACYL-ACP
REDUCTASE

(uncultured
bacterium) 		PF13561
(adh_short_C2) 		5 ILE A 126
PHE A  78
TYR A 175
LEU A 133
LEU A  88
 None
 1.49A 2w98A-5tiiA:
9.1		 2w98A-5tiiA:
22.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5twa BCL-X HOMOLOGOUS
PROTEIN, BHP2

(Geodia cydonium) 		PF00452
(Bcl-2) 		5 PHE A 127
TYR A  33
LEU A 170
VAL A 169
LEU A 174
 EDO  A 308 (-4.2A)
None
None
EDO  A 307 ( 4.1A)
EDO  A 308 (-4.8A)
 1.26A 2w98A-5twaA:
undetectable		 2w98A-5twaA:
21.66
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.
5udb ORIGIN RECOGNITION
COMPLEX SUBUNIT 4

(Saccharomyces
cerevisiae) 		PF14629
(ORC4_C) 		5 ILE D 146
PHE D 181
MET D 237
VAL D 243
LEU D 185
 None
 1.43A 2w98A-5udbD:
undetectable		 2w98A-5udbD:
22.39
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xd6 PROTEIN KINASE
SUPERFAMILY PROTEIN

(Arabidopsis
thaliana) 		no annotation 5 ILE A 176
PHE A 262
LEU A 320
VAL A 323
LEU A 266
 None
 1.31A 2w98A-5xd6A:
undetectable		 2w98A-5xd6A:
13.24
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xoy [LYSW]-LYSINE
HYDROLASE

(Thermus
thermophilus) 		PF01546
(Peptidase_M20) 		5 ILE A 247
MET A 201
LEU A 237
VAL A 211
LEU A 241
 None
 1.35A 2w98A-5xoyA:
undetectable		 2w98A-5xoyA:
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.
6bbp CYTOHESIN-3,ADP-RIBO
SYLATION FACTOR 6

(Homo sapiens;
Mus musculus) 		no annotation 5 ILE A 225
PHE A 218
LEU A 145
VAL A 146
LEU A 239
 None
 1.35A 2w98A-6bbpA:
3.0		 2w98A-6bbpA:
12.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6byx SHORT ULVAN LYASE

(Alteromonas sp.
LOR) 		no annotation 5 TYR A 498
ILE A 489
TYR A 497
LEU A 518
VAL A  42
 None
 1.38A 2w98A-6byxA:
undetectable		 2w98A-6byxA:
13.09
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.
6c93 CYTOCHROME P450 4B1

(Oryctolagus
cuniculus) 		no annotation 5 TYR A  94
ILE A  89
PHE A  41
LEU A 382
LEU A 394
 None
 1.23A 2w98A-6c93A:
undetectable		 2w98A-6c93A:
11.48
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.
6cd8 GLUCOSE-INDUCED
DEGRADATION PROTEIN
4 HOMOLOG

(Homo sapiens) 		no annotation 5 ILE A 260
PHE A 128
LEU A 155
VAL A 148
LEU A 145
 None
None
None
UNX  A 303 ( 4.6A)
None
 1.42A 2w98A-6cd8A:
undetectable		 2w98A-6cd8A:
13.12
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.
6eoj PROTEIN CFT1

(Saccharomyces
cerevisiae) 		no annotation 5 ILE A 216
PHE A 142
TYR A 231
LEU A 253
LEU A 255
 None
 1.31A 2w98A-6eojA:
undetectable		 2w98A-6eojA:
13.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6f0k ACTD
POLYSULPHIDE
REDUCTASE NRFD

(Rhodothermus
marinus) 		no annotation 5 ILE D 125
PHE D  78
LEU C 235
VAL C 231
LEU C 234
 None
 1.39A 2w98A-6f0kD:
undetectable		 2w98A-6f0kD:
12.32