SIMILAR PATTERNS OF AMINO ACIDS FOR 3W9T_A_W9TA1002_1

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site

Query pattern: Residues from known binding site for annotated drug that match the hit pattern


(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism
Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bc5 CHEMOTAXIS RECEPTOR
METHYLTRANSFERASE


(Salmonella
enterica)
PF01739
(CheR)
PF03705
(CheR_N)
3 ASP A 225
GLU A 116
GLY A 115
None
0.61A 3w9tA-1bc5A:
0.0
3w9tA-1bc5A:
17.62
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.
1coj PROTEIN (SUPEROXIDE
DISMUTASE)


(Aquifex
pyrophilus)
PF00081
(Sod_Fe_N)
PF02777
(Sod_Fe_C)
3 ASP A 112
GLU A 105
GLY A 109
None
0.65A 3w9tA-1cojA:
undetectable
3w9tA-1cojA:
18.01
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.
1dv8 ASIALOGLYCOPROTEIN
RECEPTOR 1


(Homo sapiens)
PF00059
(Lectin_C)
3 ASP A 253
GLU A 252
GLY A 251
CA  A1001 (-3.4A)
CA  A1002 ( 2.9A)
None
0.71A 3w9tA-1dv8A:
0.0
3w9tA-1dv8A:
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.
1fzd FIBRINOGEN-420

(Homo sapiens)
PF00147
(Fibrinogen_C)
3 ASP A 661
GLU A 685
GLY A 686
None
0.60A 3w9tA-1fzdA:
0.0
3w9tA-1fzdA:
18.79
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.
1ggp PROTEIN (LECTIN 1 B
CHAIN)


(Trichosanthes
kirilowii)
PF00652
(Ricin_B_lectin)
3 ASP B 239
GLU B 241
GLY B 242
None
0.63A 3w9tA-1ggpB:
16.4
3w9tA-1ggpB:
20.57
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.
1hcv IMMUNOGLOBULIN G

(Lama glama)
PF07686
(V-set)
3 ASP A  33
GLU A  96
GLY A  97
None
0.57A 3w9tA-1hcvA:
0.0
3w9tA-1hcvA:
17.72
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.
1koa TWITCHIN

(Caenorhabditis
elegans)
PF00069
(Pkinase)
PF07679
(I-set)
3 ASP A6302
GLU A6335
GLY A6334
None
0.61A 3w9tA-1koaA:
0.0
3w9tA-1koaA:
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.
1lth L-LACTATE
DEHYDROGENASE (T-
AND R- STATE
TETRAMER COMPLEX)


(Bifidobacterium
longum)
no annotation 3 ASP T 128
GLU T 184
GLY T 178
None
0.69A 3w9tA-1lthT:
0.0
3w9tA-1lthT:
19.91
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.
1lv2 HEPATOCYTE NUCLEAR
FACTOR 4-GAMMA


(Homo sapiens)
PF00104
(Hormone_recep)
3 ASP A 279
GLU A 286
GLY A 282
None
0.67A 3w9tA-1lv2A:
0.0
3w9tA-1lv2A:
18.08
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1n7r HYALURONIDASE

(Streptococcus
pneumoniae)
PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N)
3 ASP A 457
GLU A 470
GLY A 471
None
0.70A 3w9tA-1n7rA:
undetectable
3w9tA-1n7rA:
21.92
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.
1o2d ALCOHOL
DEHYDROGENASE,
IRON-CONTAINING


(Thermotoga
maritima)
PF00465
(Fe-ADH)
3 ASP A 180
GLU A 227
GLY A 228
None
0.69A 3w9tA-1o2dA:
undetectable
3w9tA-1o2dA:
21.43
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.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi)
PF00544
(Pec_lyase_C)
3 ASP A 311
GLU A 283
GLY A 284
None
0.65A 3w9tA-1pe9A:
undetectable
3w9tA-1pe9A:
24.88
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.
1pn4 PEROXISOMAL
HYDRATASE-DEHYDROGEN
ASE-EPIMERASE


(Candida
tropicalis)
PF01575
(MaoC_dehydratas)
3 ASP A 117
GLU A  90
GLY A  89
None
0.68A 3w9tA-1pn4A:
undetectable
3w9tA-1pn4A:
21.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qva INITIATION FACTOR 4A

(Saccharomyces
cerevisiae)
PF00270
(DEAD)
3 ASP A 138
GLU A 134
GLY A 135
None
0.61A 3w9tA-1qvaA:
undetectable
3w9tA-1qvaA:
18.28
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.
1rdu CONSERVED
HYPOTHETICAL PROTEIN


(Thermotoga
maritima)
PF02579
(Nitro_FeMo-Co)
3 ASP A  19
GLU A  90
GLY A  91
None
0.57A 3w9tA-1rduA:
undetectable
3w9tA-1rduA:
13.43
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.
1sp3 CYTOCHROME C,
PUTATIVE


(Shewanella
oneidensis)
PF11783
(Cytochrome_cB)
PF13435
(Cytochrome_C554)
3 ASP A 339
GLU A 386
GLY A 385
None
0.50A 3w9tA-1sp3A:
undetectable
3w9tA-1sp3A:
22.06
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcl HEMOLYTIC LECTIN
CEL-III


(Cucumaria
echinata)
PF00652
(Ricin_B_lectin)
3 ASP A 121
GLU A 123
GLY A 124
CA  A1002 (-2.8A)
None
CA  A1002 (-4.3A)
0.45A 3w9tA-1vclA:
36.9
3w9tA-1vclA:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1vcl HEMOLYTIC LECTIN
CEL-III


(Cucumaria
echinata)
PF00652
(Ricin_B_lectin)
3 ASP A 209
GLU A 211
GLY A 212
CA  A1004 (-2.6A)
None
CL  A1201 ( 3.7A)
0.55A 3w9tA-1vclA:
36.9
3w9tA-1vclA:
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.
1vjn ZN-DEPENDENT
HYDROLASE OF
METALLO-BETA-LACTAMA
SE SUPERFAMILY
TM0207


(Thermotoga
maritima)
PF13483
(Lactamase_B_3)
3 ASP A 128
GLU A 100
GLY A 103
None
0.67A 3w9tA-1vjnA:
undetectable
3w9tA-1vjnA:
19.01
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.
1vrg PROPIONYL-COA
CARBOXYLASE, BETA
SUBUNIT


(Thermotoga
maritima)
PF01039
(Carboxyl_trans)
3 ASP A  74
GLU A 104
GLY A 103
None
0.71A 3w9tA-1vrgA:
undetectable
3w9tA-1vrgA:
22.72
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.
1xny PROPIONYL-COA
CARBOXYLASE COMPLEX
B SUBUNIT


(Streptomyces
coelicolor)
PF01039
(Carboxyl_trans)
3 ASP A  85
GLU A 115
GLY A 114
None
0.62A 3w9tA-1xnyA:
undetectable
3w9tA-1xnyA:
23.23
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.
1xs3 HYPOTHETICAL PROTEIN
XC975


(Xanthomonas
euvesicatoria)
PF01722
(BolA)
3 ASP A  39
GLU A  70
GLY A  69
None
0.68A 3w9tA-1xs3A:
undetectable
3w9tA-1xs3A:
11.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1y25 PROBABLE THIOL
PEROXIDASE


(Mycobacterium
tuberculosis)
PF08534
(Redoxin)
3 ASP A  68
GLU A  99
GLY A  97
None
0.62A 3w9tA-1y25A:
undetectable
3w9tA-1y25A:
17.32
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.
1yw1 PROTEIN YTNJ

(Bacillus
subtilis)
PF00296
(Bac_luciferase)
3 ASP A 114
GLU A 211
GLY A 210
None
0.69A 3w9tA-1yw1A:
undetectable
3w9tA-1yw1A:
21.02
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.
2a7s PROBABLE
PROPIONYL-COA
CARBOXYLASE BETA
CHAIN 5


(Mycobacterium
tuberculosis)
PF01039
(Carboxyl_trans)
3 ASP A  96
GLU A 126
GLY A 125
None
0.64A 3w9tA-2a7sA:
undetectable
3w9tA-2a7sA:
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.
2cbn RIBONUCLEASE Z

(Escherichia
coli)
PF12706
(Lactamase_B_2)
3 ASP A 227
GLU A 151
GLY A 204
None
0.70A 3w9tA-2cbnA:
undetectable
3w9tA-2cbnA:
22.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d5l DIPEPTIDYL
AMINOPEPTIDASE IV,
PUTATIVE


(Porphyromonas
gingivalis)
PF00326
(Peptidase_S9)
PF00930
(DPPIV_N)
3 ASP A 358
GLU A 380
GLY A 379
None
0.61A 3w9tA-2d5lA:
undetectable
3w9tA-2d5lA:
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.
2fpg SUCCINYL-COA LIGASE
[GDP-FORMING]
ALPHA-CHAIN,
MITOCHONDRIAL


(Sus scrofa)
PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
3 ASP A 189
GLU A 105
GLY A 106
None
0.65A 3w9tA-2fpgA:
undetectable
3w9tA-2fpgA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2hyx PROTEIN DIPZ

(Mycobacterium
tuberculosis)
PF00578
(AhpC-TSA)
3 ASP A 560
GLU A 527
GLY A 528
None
0.67A 3w9tA-2hyxA:
undetectable
3w9tA-2hyxA:
21.20
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.
2ip4 PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE


(Thermus
thermophilus)
PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N)
3 ASP A 143
GLU A 176
GLY A 175
None
0.63A 3w9tA-2ip4A:
undetectable
3w9tA-2ip4A:
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.
2ixb ALPHA-N-ACETYLGALACT
OSAMINIDASE


(Elizabethkingia
meningoseptica)
PF01408
(GFO_IDH_MocA)
3 ASP A 198
GLU A 201
GLY A 191
None
0.70A 3w9tA-2ixbA:
undetectable
3w9tA-2ixbA:
22.11
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2jjy ENOYL-[ACYL-CARRIER-
PROTEIN] REDUCTASE


(Francisella
tularensis)
PF13561
(adh_short_C2)
3 ASP A  97
GLU A 110
GLY A 111
None
0.69A 3w9tA-2jjyA:
undetectable
3w9tA-2jjyA:
20.41
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.
2k6m SUPERVILLIN

(Homo sapiens)
PF02209
(VHP)
3 ASP S  34
GLU S  31
GLY S  32
None
0.70A 3w9tA-2k6mS:
undetectable
3w9tA-2k6mS:
8.61
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.
2k8h SMALL UBIQUITIN
PROTEIN


(Trypanosoma
brucei)
PF11976
(Rad60-SLD)
3 ASP A  77
GLU A  14
GLY A  13
None
0.62A 3w9tA-2k8hA:
undetectable
3w9tA-2k8hA:
13.26
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.
2nmb PROTEIN (NUMB
PROTEIN)


(Drosophila
melanogaster)
PF00640
(PID)
3 ASP A 182
GLU A 157
GLY A 159
None
0.60A 3w9tA-2nmbA:
undetectable
3w9tA-2nmbA:
18.72
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.
2oqp INTERLEUKIN-21

(Homo sapiens)
no annotation 3 ASP A  27
GLU A  65
GLY A  62
None
0.70A 3w9tA-2oqpA:
undetectable
3w9tA-2oqpA:
13.43
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.
2pbj PROSTAGLANDIN E
SYNTHASE 2


(Macaca
fascicularis)
PF13417
(GST_N_3)
3 ASP A 351
GLU A 345
GLY A 346
None
0.64A 3w9tA-2pbjA:
undetectable
3w9tA-2pbjA:
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.
2por PORIN

(Rhodobacter
capsulatus)
PF13609
(Porin_4)
3 ASP A 136
GLU A 141
GLY A 140
CA  A 304 (-2.1A)
None
CA  A 304 (-4.3A)
0.69A 3w9tA-2porA:
undetectable
3w9tA-2porA:
22.99
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.
2rdg SUPERANTIGEN-LIKE
PROTEIN 11


(Staphylococcus
aureus)
PF02876
(Stap_Strp_tox_C)
PF09199
(SSL_OB)
3 ASP A  59
GLU A  32
GLY A  33
None
0.58A 3w9tA-2rdgA:
undetectable
3w9tA-2rdgA:
18.54
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.
2rhq PHENYLALANYL-TRNA
SYNTHETASE ALPHA
CHAIN
PHENYLALANYL-TRNA
SYNTHETASE BETA
CHAIN


(Staphylococcus
haemolyticus)
PF01409
(tRNA-synt_2d)
PF01588
(tRNA_bind)
PF03147
(FDX-ACB)
PF03483
(B3_4)
PF03484
(B5)
3 ASP A 221
GLU B 490
GLY B 489
None
0.44A 3w9tA-2rhqA:
undetectable
3w9tA-2rhqA:
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.
2rik TITIN

(Oryctolagus
cuniculus)
PF07679
(I-set)
3 ASP A 225
GLU A 258
GLY A 257
None
0.65A 3w9tA-2rikA:
undetectable
3w9tA-2rikA:
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.
2wda PUTATIVE SECRETED
LYASE


(Streptomyces
violaceoruber)
PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N)
3 ASP A 594
GLU A 560
GLY A 561
None
0.56A 3w9tA-2wdaA:
undetectable
3w9tA-2wdaA:
18.38
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.
2yfn ALPHA-GALACTOSIDASE-
SUCROSE KINASE AGASK


([Ruminococcus]
gnavus)
PF02065
(Melibiase)
PF16874
(Glyco_hydro_36C)
PF16875
(Glyco_hydro_36N)
3 ASP A 191
GLU A 236
GLY A 238
None
GOL  A1722 (-3.1A)
None
0.70A 3w9tA-2yfnA:
undetectable
3w9tA-2yfnA:
21.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yv2 SUCCINYL-COA
SYNTHETASE ALPHA
CHAIN


(Aeropyrum
pernix)
PF00549
(Ligase_CoA)
PF02629
(CoA_binding)
3 ASP A 187
GLU A 104
GLY A 105
None
0.61A 3w9tA-2yv2A:
undetectable
3w9tA-2yv2A:
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.
3b43 TITIN

(Oryctolagus
cuniculus)
PF07679
(I-set)
3 ASP A 417
GLU A 450
GLY A 449
None
0.49A 3w9tA-3b43A:
undetectable
3w9tA-3b43A:
21.50
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.
3dh3 RIBOSOMAL LARGE
SUBUNIT
PSEUDOURIDINE
SYNTHASE F


(Escherichia
coli)
PF00849
(PseudoU_synth_2)
PF01479
(S4)
3 ASP A 142
GLU A 194
GLY A 197
None
0.67A 3w9tA-3dh3A:
undetectable
3w9tA-3dh3A:
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.
3egw RESPIRATORY NITRATE
REDUCTASE 1 ALPHA
CHAIN


(Escherichia
coli)
PF00384
(Molybdopterin)
PF01568
(Molydop_binding)
PF14710
(Nitr_red_alph_N)
3 ASP A1239
GLU A1236
GLY A1235
None
0.67A 3w9tA-3egwA:
undetectable
3w9tA-3egwA:
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.
3fha ENDO-BETA-N-ACETYLGL
UCOSAMINIDASE


(Glutamicibacter
protophormiae)
PF03644
(Glyco_hydro_85)
3 ASP A 543
GLU A 584
GLY A 585
None
0.66A 3w9tA-3fhaA:
undetectable
3w9tA-3fhaA:
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.
3gip N-ACYL-D-GLUTAMATE
DEACYLASE


(Bordetella
bronchiseptica)
PF07969
(Amidohydro_3)
3 ASP A  18
GLU A 398
GLY A  21
None
0.52A 3w9tA-3gipA:
undetectable
3w9tA-3gipA:
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.
3hdi PROCESSING PROTEASE

(Bacillus
halodurans)
PF00675
(Peptidase_M16)
PF05193
(Peptidase_M16_C)
3 ASP A 292
GLU A 217
GLY A 216
None
0.61A 3w9tA-3hdiA:
undetectable
3w9tA-3hdiA:
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.
3hhs PHENOLOXIDASE
SUBUNIT 1


(Manduca sexta)
PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C)
3 ASP B 399
GLU B 270
GLY B 271
None
0.62A 3w9tA-3hhsB:
undetectable
3w9tA-3hhsB:
21.14
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.
3ibj CGMP-DEPENDENT
3',5'-CYCLIC
PHOSPHODIESTERASE


(Homo sapiens)
PF00233
(PDEase_I)
PF01590
(GAF)
PF13185
(GAF_2)
3 ASP A 769
GLU A 722
GLY A 723
None
0.66A 3w9tA-3ibjA:
undetectable
3w9tA-3ibjA:
19.66
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.
3ixw HEMOCYANIN AA6 CHAIN

(Androctonus
australis)
PF00372
(Hemocyanin_M)
PF03722
(Hemocyanin_N)
PF03723
(Hemocyanin_C)
3 ASP A 354
GLU A 231
GLY A 232
None
0.62A 3w9tA-3ixwA:
undetectable
3w9tA-3ixwA:
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.
3jbr VOLTAGE-DEPENDENT
CALCIUM CHANNEL
SUBUNIT
ALPHA-2/DELTA-1


(Oryctolagus
cuniculus)
PF00092
(VWA)
PF08399
(VWA_N)
PF08473
(VGCC_alpha2)
3 ASP F 397
GLU F 368
GLY F 367
None
0.69A 3w9tA-3jbrF:
undetectable
3w9tA-3jbrF:
14.46
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.
3kq4 CUBILIN

(Homo sapiens)
PF00431
(CUB)
3 ASP B1221
GLU B1263
GLY B1264
CA  B2016 (-2.2A)
None
CA  B2016 (-4.3A)
0.62A 3w9tA-3kq4B:
undetectable
3w9tA-3kq4B:
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.
3lhx KETODEOXYGLUCONOKINA
SE


(Shigella
flexneri)
PF00294
(PfkB)
3 ASP A 102
GLU A  83
GLY A  82
None
0.59A 3w9tA-3lhxA:
undetectable
3w9tA-3lhxA:
20.72
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.
3n0g ISOPRENE SYNTHASE

(Populus tremula
x Populus alba)
PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C)
3 ASP A 209
GLU A 205
GLY A 204
None
0.62A 3w9tA-3n0gA:
undetectable
3w9tA-3n0gA:
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.
3pb9 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE-LIK
E PROTEIN


(Homo sapiens)
PF04389
(Peptidase_M28)
3 ASP X 327
GLU X 226
GLY X 224
None
ZN  X 400 ( 2.1A)
None
0.70A 3w9tA-3pb9X:
undetectable
3w9tA-3pb9X:
20.18
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.
3sdq ALPHA-BISABOLENE
SYNTHASE


(Abies grandis)
PF01397
(Terpene_synth)
PF03936
(Terpene_synth_C)
3 ASP A 412
GLU A 408
GLY A 407
None
0.67A 3w9tA-3sdqA:
undetectable
3w9tA-3sdqA:
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.
3si1 GLUTAMINYL-PEPTIDE
CYCLOTRANSFERASE


(Mus musculus)
PF04389
(Peptidase_M28)
3 ASP A 307
GLU A 203
GLY A 201
None
ZN  A 601 (-2.3A)
None
0.63A 3w9tA-3si1A:
undetectable
3w9tA-3si1A:
19.17
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3tdu DCN1-LIKE PROTEIN 1

(Homo sapiens)
PF03556
(Cullin_binding)
3 ASP A 241
GLU A 233
GLY A 234
None
0.55A 3w9tA-3tduA:
undetectable
3w9tA-3tduA:
18.72
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.
3tw5 TRANSGLUTAMINASE
ELICITOR


(Phytophthora
sojae)
PF16683
(TGase_elicitor)
3 ASP A 385
GLU A 391
GLY A 389
None
0.56A 3w9tA-3tw5A:
undetectable
3w9tA-3tw5A:
21.27
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.
3u95 GLYCOSIDE HYDROLASE,
FAMILY 4


(Thermotoga
neapolitana)
PF02056
(Glyco_hydro_4)
PF11975
(Glyco_hydro_4C)
3 ASP A  20
GLU A 344
GLY A 343
None
0.59A 3w9tA-3u95A:
undetectable
3w9tA-3u95A:
20.04
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.
4a5v MICRONEMAL PROTEIN 4

(Toxoplasma
gondii)
PF00024
(PAN_1)
3 ASP A  96
GLU A  92
GLY A  93
None
0.66A 3w9tA-4a5vA:
undetectable
3w9tA-4a5vA:
17.61
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.
4avc LYSINE
ACETYLTRANSFERASE


(Mycobacterium
tuberculosis)
PF00027
(cNMP_binding)
PF13302
(Acetyltransf_3)
3 ASP A 242
GLU A 179
GLY A 178
None
0.66A 3w9tA-4avcA:
undetectable
3w9tA-4avcA:
21.30
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4b3k BETA-GLUCOSIDASE

(Streptococcus
pyogenes)
PF00232
(Glyco_hydro_1)
3 ASP A 336
GLU A 374
GLY A 373
None
0.66A 3w9tA-4b3kA:
undetectable
3w9tA-4b3kA:
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.
4cpg SMALL GLUTAMINE-RICH
TETRATRICOPEPTIDE
REPEAT-CONTAINING
PROTEIN ALPHA


(Homo sapiens)
PF16546
(SGTA_dimer)
3 ASP A  63
GLU A  54
GLY A  58
None
0.71A 3w9tA-4cpgA:
undetectable
3w9tA-4cpgA:
11.81
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.
4dg5 PHOSPHOGLYCERATE
KINASE


(Staphylococcus
aureus)
PF00162
(PGK)
3 ASP A 367
GLU A 365
GLY A 363
None
0.66A 3w9tA-4dg5A:
undetectable
3w9tA-4dg5A:
22.10
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e69 2-DEHYDRO-3-DEOXYGLU
CONOKINASE


(Oceanicola
granulosus)
PF00294
(PfkB)
3 ASP A  29
GLU A   8
GLY A   7
None
0.59A 3w9tA-4e69A:
undetectable
3w9tA-4e69A:
19.33
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.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE


(Homo sapiens)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63)
3 ASP B1415
GLU B1411
GLY B1410
None
0.67A 3w9tA-4f92B:
undetectable
3w9tA-4f92B:
13.14
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.
4ft2 DNA
(CYTOSINE-5)-METHYLT
RANSFERASE 1


(Zea mays)
PF00145
(DNA_methylase)
PF00385
(Chromo)
PF01426
(BAH)
3 ASP A 474
GLU A 473
GLY A 470
None
0.61A 3w9tA-4ft2A:
undetectable
3w9tA-4ft2A:
19.27
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.
4g76 PHOSPHODIESTERASE

(Pseudomonas
aeruginosa)
PF14859
(Colicin_M)
3 ASP A 241
GLU A 213
GLY A 212
None
0.65A 3w9tA-4g76A:
undetectable
3w9tA-4g76A:
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.
4got METHIONINE-BINDING
LIPOPROTEIN METQ


(Bacillus
subtilis)
PF03180
(Lipoprotein_9)
3 ASP A 198
GLU A 179
GLY A 130
None
0.67A 3w9tA-4gotA:
undetectable
3w9tA-4gotA:
18.53
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.
4n27 BACTERIAL
TRANSFERASE
HEXAPEPTIDE REPEAT


(Brucella
abortus)
PF00132
(Hexapep)
3 ASP A 131
GLU A  95
GLY A  94
None
0.69A 3w9tA-4n27A:
undetectable
3w9tA-4n27A:
17.59
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.
4nsd CALCIUM UPTAKE
PROTEIN 1,
MITOCHONDRIAL


(Homo sapiens)
PF13202
(EF-hand_5)
PF13833
(EF-hand_8)
3 ASP A 423
GLU A 427
GLY A 426
CA  A 502 (-2.8A)
None
None
0.71A 3w9tA-4nsdA:
undetectable
3w9tA-4nsdA:
21.35
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.
4u48 PUTATIVE INNER
MEMBRANE LIPOPROTEIN


(Salmonella
enterica)
PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
PF11974
(MG1)
3 ASP A 892
GLU A 987
GLY A 986
None
0.60A 3w9tA-4u48A:
undetectable
3w9tA-4u48A:
13.51
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.
4x68 BETA-LACTAMASE

(Pseudomonas
aeruginosa)
PF00144
(Beta-lactamase)
3 ASP A 257
GLU A 212
GLY A 210
None
0.65A 3w9tA-4x68A:
undetectable
3w9tA-4x68A:
22.65
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4x6g OXYR

(Pseudomonas
aeruginosa)
PF00126
(HTH_1)
PF03466
(LysR_substrate)
3 ASP A 202
GLU A 196
GLY A 197
None
0.62A 3w9tA-4x6gA:
undetectable
3w9tA-4x6gA:
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.
4x9l HEAT SHOCK PROTEIN

(Oryza sativa)
PF00183
(HSP90)
PF02518
(HATPase_c)
3 ASP A 163
GLU A 167
GLY A 166
None
PG4  A 302 (-2.9A)
None
0.52A 3w9tA-4x9lA:
undetectable
3w9tA-4x9lA:
20.13
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.
4xdy KETOL-ACID
REDUCTOISOMERASE


(uncultured
archaeon
GZfos26G2)
PF01450
(IlvC)
PF07991
(IlvN)
3 ASP A 128
GLU A 164
GLY A 163
None
0.53A 3w9tA-4xdyA:
undetectable
3w9tA-4xdyA:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xeh KETOL-ACID
REDUCTOISOMERASE


(Ignisphaera
aggregans)
PF01450
(IlvC)
PF07991
(IlvN)
3 ASP A 124
GLU A 160
GLY A 159
None
0.36A 3w9tA-4xehA:
undetectable
3w9tA-4xehA:
19.91
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.
5a42 UNCHARACTERIZED
LIPOPROTEIN YFHM


(Escherichia
coli)
PF00207
(A2M)
PF01835
(A2M_N)
PF07703
(A2M_N_2)
PF11974
(MG1)
3 ASP A 900
GLU A 995
GLY A 994
None
0.58A 3w9tA-5a42A:
undetectable
3w9tA-5a42A:
13.33
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.
5a8r METHYL-COENZYME M
REDUCTASE II,
SUBUNIT BETA


(Methanothermobacter
marburgensis)
PF02240
(MCR_gamma)
3 ASP C 147
GLU C 212
GLY C 209
None
0.62A 3w9tA-5a8rC:
undetectable
3w9tA-5a8rC:
19.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cvw BIFUNCTIONAL
HEMOLYSIN/ADENYLATE
CYCLASE


(Bordetella
pertussis)
PF00353
(HemolysinCabind)
PF06594
(HCBP_related)
3 ASP A1570
GLU A1567
GLY A1550
CA  A1705 ( 2.5A)
MG  A1714 ( 2.5A)
CA  A1704 (-4.2A)
0.65A 3w9tA-5cvwA:
undetectable
3w9tA-5cvwA:
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.
5e4r KETOL-ACID
REDUCTOISOMERASE


(Ignisphaera
aggregans)
PF01450
(IlvC)
PF07991
(IlvN)
3 ASP A 124
GLU A 160
GLY A 159
None
0.58A 3w9tA-5e4rA:
undetectable
3w9tA-5e4rA:
21.01
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.
5e5b FACT COMPLEX SUBUNIT
SPT16


(Homo sapiens)
PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob)
3 ASP A  63
GLU A 145
GLY A 144
None
0.58A 3w9tA-5e5bA:
undetectable
3w9tA-5e5bA:
20.58
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.
5h5y NON-LEE ENCODED
EFFECTOR PROTEIN
NLEB


(Escherichia
coli)
no annotation 3 ASP A  37
GLU A 212
GLY A 211
None
0.46A 3w9tA-5h5yA:
undetectable
3w9tA-5h5yA:
11.56
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.
5hvf CARBOXYPEPTIDASE B2

(Homo sapiens)
PF00246
(Peptidase_M14)
PF02244
(Propep_M14)
3 ASP A  38
GLU A 245
GLY A 246
None
0.52A 3w9tA-5hvfA:
undetectable
3w9tA-5hvfA:
21.64
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5inf CARBOXYL TRANSFERASE

(Streptomyces
ambofaciens)
PF01039
(Carboxyl_trans)
3 ASP A  86
GLU A 116
GLY A 115
None
0.56A 3w9tA-5infA:
undetectable
3w9tA-5infA:
23.15
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.
5l2r FUMARATE HYDRATASE

(Leishmania
major)
PF05681
(Fumerase)
PF05683
(Fumerase_C)
3 ASP A 155
GLU A 154
GLY A 152
None
0.63A 3w9tA-5l2rA:
undetectable
3w9tA-5l2rA:
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.
5m6g BETA-GLUCOSIDASE

(Saccharopolyspora
erythraea)
no annotation 3 ASP A 458
GLU A 461
GLY A 462
MG  A 706 ( 4.1A)
None
MG  A 706 (-4.0A)
0.55A 3w9tA-5m6gA:
undetectable
3w9tA-5m6gA:
23.82
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.
5mms CYSTATHIONINE
BETA-SYNTHASE


(Homo sapiens)
PF00291
(PALP)
3 ASP A 281
GLU A 283
GLY A 284
None
0.70A 3w9tA-5mmsA:
undetectable
3w9tA-5mmsA:
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.
5msy GLYCOSIDE HYDROLASE

(Bacteroides
thetaiotaomicron)
PF12904
(Collagen_bind_2)
PF13204
(DUF4038)
3 ASP A 282
GLU A 284
GLY A 241
None
NH3  A 504 (-4.4A)
None
0.71A 3w9tA-5msyA:
undetectable
3w9tA-5msyA:
20.16
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.
5o77 OMPK35

(Klebsiella
pneumoniae)
no annotation 3 ASP A  33
GLU A  20
GLY A  19
None
0.65A 3w9tA-5o77A:
undetectable
3w9tA-5o77A:
11.02
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.
5tlc DIBENZOTHIOPHENE
DESULFURIZATION
ENZYME A


(Bacillus
subtilis)
PF00296
(Bac_luciferase)
3 ASP A 125
GLU A 222
GLY A 221
None
0.68A 3w9tA-5tlcA:
undetectable
3w9tA-5tlcA:
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.
5wan PYRIMIDINE
MONOOXYGENASE RUTA


(Escherichia
coli)
PF00296
(Bac_luciferase)
3 ASP A 265
GLU A  60
GLY A  56
None
GOL  A 408 (-4.2A)
None
0.58A 3w9tA-5wanA:
undetectable
3w9tA-5wanA:
20.63
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.
5wgg RADICAL SAM DOMAIN
PROTEIN


(Ruminiclostridium
thermocellum)
PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12)
3 ASP A  17
GLU A  69
GLY A  72
None
0.67A 3w9tA-5wggA:
undetectable
3w9tA-5wggA:
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.
5z9s GLYCOSYL HYDROLASE
FAMILY 3 PROTEIN


(Bifidobacterium
longum)
no annotation 3 ASP A 714
GLU A 766
GLY A 765
None
0.57A 3w9tA-5z9sA:
undetectable
3w9tA-5z9sA:
11.24
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.
6byx SHORT ULVAN LYASE

(Alteromonas sp.
LOR)
no annotation 3 ASP A 165
GLU A 144
GLY A 135
None
0.62A 3w9tA-6byxA:
undetectable
3w9tA-6byxA:
10.97
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.
6dft -

(-)
no annotation 3 ASP A 402
GLU A 400
GLY A 407
NAD  B 500 (-3.8A)
None
None
0.53A 3w9tA-6dftA:
undetectable
3w9tA-6dftA:
undetectable