SIMILAR PATTERNS OF AMINO ACIDS FOR 2DDW_B_PXLB1005_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.
1e5m BETA KETOACYL ACYL
CARRIER PROTEIN
SYNTHASE II


(Synechocystis
sp. PCC 6803)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
4 THR A 199
PRO A 200
GLY A 114
ASP A  75
None
0.82A 2ddwB-1e5mA:
undetectable
2ddwB-1e5mA:
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.
1h76 SEROTRANSFERRIN

(Sus scrofa)
PF00405
(Transferrin)
4 LEU A 588
PRO A 469
GLY A 398
ASP A 396
None
None
None
FE  A 703 ( 3.0A)
1.04A 2ddwB-1h76A:
undetectable
2ddwB-1h76A:
18.06
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1jnf SEROTRANSFERRIN

(Oryctolagus
cuniculus)
PF00405
(Transferrin)
4 LEU A 576
PRO A 462
GLY A 394
ASP A 392
None
None
None
FE  A 703 ( 3.0A)
1.05A 2ddwB-1jnfA:
undetectable
2ddwB-1jnfA:
17.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1m3u 3-METHYL-2-OXOBUTANO
ATE
HYDROXYMETHYLTRANSFE
RASE


(Escherichia
coli)
PF02548
(Pantoate_transf)
4 LEU A 139
THR A 140
PRO A 141
GLY A 135
None
None
KPL  A 265 (-4.5A)
None
0.90A 2ddwB-1m3uA:
undetectable
2ddwB-1m3uA:
23.51
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.
1mk2 SMAD 3

(Homo sapiens)
PF03166
(MH2)
4 LEU A 239
THR A 391
PRO A 392
GLY A 380
None
0.97A 2ddwB-1mk2A:
undetectable
2ddwB-1mk2A:
22.14
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.
1p49 STERYL-SULFATASE

(Homo sapiens)
PF00884
(Sulfatase)
PF14707
(Sulfatase_C)
4 SER A  95
LEU A  74
THR A  76
GLY A 109
None
ALS  A  75 ( 4.0A)
ALS  A  75 ( 4.4A)
None
0.96A 2ddwB-1p49A:
undetectable
2ddwB-1p49A:
19.38
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.
1pja PALMITOYL-PROTEIN
THIOESTERASE 2
PRECURSOR


(Homo sapiens)
PF02089
(Palm_thioest)
4 SER A 111
LEU A  45
GLY A 229
ASP A 228
GOL  A1616 (-3.4A)
GOL  A1616 ( 4.9A)
None
None
0.91A 2ddwB-1pjaA:
4.8
2ddwB-1pjaA:
22.42
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.
1psw ADP-HEPTOSE LPS
HEPTOSYLTRANSFERASE
II


(Escherichia
coli)
PF01075
(Glyco_transf_9)
4 LEU A 130
THR A 295
PRO A 296
GLY A  12
None
0.89A 2ddwB-1pswA:
undetectable
2ddwB-1pswA:
26.19
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.
1suv SEROTRANSFERRIN,
C-LOBE


(Homo sapiens)
PF00405
(Transferrin)
4 LEU E 576
PRO E 462
GLY E 394
ASP E 392
None
None
None
FE  E 703 ( 3.0A)
1.05A 2ddwB-1suvE:
undetectable
2ddwB-1suvE:
21.93
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ta9 GLYCEROL
DEHYDROGENASE


(Schizosaccharomyces
pombe)
PF00465
(Fe-ADH)
4 SER A 235
THR A 240
GLY A 303
ASP A 182
K  A1503 (-2.9A)
None
None
GOL  A1401 ( 2.6A)
0.96A 2ddwB-1ta9A:
undetectable
2ddwB-1ta9A:
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.
1ted PKS18

(Mycobacterium
tuberculosis)
PF00195
(Chal_sti_synt_N)
PF02797
(Chal_sti_synt_C)
4 LEU A  88
HIS A 221
GLY A 225
ASP A 226
LEU  A  88 ( 0.6A)
HIS  A 221 (-1.0A)
GLY  A 225 ( 0.0A)
ASP  A 226 ( 0.6A)
0.96A 2ddwB-1tedA:
undetectable
2ddwB-1tedA:
23.37
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.
1ua4 ADP-DEPENDENT
GLUCOKINASE


(Pyrococcus
furiosus)
PF04587
(ADP_PFK_GK)
4 SER A 201
LEU A  89
PRO A 271
GLY A 233
None
1.02A 2ddwB-1ua4A:
13.0
2ddwB-1ua4A:
20.25
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.
1ue0 ISOLEUCYL-TRNA
SYNTHETASE


(Thermus
thermophilus)
PF00133
(tRNA-synt_1)
4 LEU A 234
THR A 233
GLY A 325
ASP A 328
None
VAL  A 400 (-3.6A)
None
VAL  A 400 (-2.7A)
0.98A 2ddwB-1ue0A:
undetectable
2ddwB-1ue0A:
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.
1wps HUT OPERON POSITIVE
REGULATORY PROTEIN


(Bacillus
subtilis)
PF09021
(HutP)
4 SER A  95
LEU A  93
THR A  87
HIS A  84
None
0.97A 2ddwB-1wpsA:
undetectable
2ddwB-1wpsA:
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.
1xeb HYPOTHETICAL PROTEIN
PA0115


(Pseudomonas
aeruginosa)
PF13673
(Acetyltransf_10)
4 LEU A  66
THR A  49
GLY A  42
ASP A  41
None
1.02A 2ddwB-1xebA:
undetectable
2ddwB-1xebA:
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.
1xzq PROBABLE TRNA
MODIFICATION GTPASE
TRME


(Thermotoga
maritima)
PF01926
(MMR_HSR1)
PF10396
(TrmE_N)
PF12631
(MnmE_helical)
4 SER A 141
LEU A 138
THR A 136
GLY A 205
None
0.93A 2ddwB-1xzqA:
2.7
2ddwB-1xzqA:
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.
1za4 THROMBOSPONDIN 1

(Homo sapiens)
PF02210
(Laminin_G_2)
4 SER A 100
LEU A 114
THR A 115
GLY A  96
None
1.05A 2ddwB-1za4A:
undetectable
2ddwB-1za4A:
22.08
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.
2a8i THREONINE ASPARTASE
1


(Homo sapiens)
PF01112
(Asparaginase_2)
4 SER A 394
LEU A 396
THR A 374
GLY A  49
None
0.87A 2ddwB-2a8iA:
undetectable
2ddwB-2a8iA:
24.02
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bq8 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5


(Homo sapiens)
PF00149
(Metallophos)
4 LEU X 236
PRO X 186
GLY X  88
ASP X  50
None
None
None
FE2  X1306 ( 2.8A)
0.94A 2ddwB-2bq8X:
undetectable
2ddwB-2bq8X:
21.62
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.
2d7q FILAMIN-C

(Homo sapiens)
PF00630
(Filamin)
4 LEU A  37
THR A  36
HIS A  65
GLY A  84
None
0.95A 2ddwB-2d7qA:
undetectable
2ddwB-2d7qA:
16.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2die AMYLASE

(Bacillus sp.
(in: Bacteria))
PF00128
(Alpha-amylase)
PF09154
(DUF1939)
4 LEU A 426
THR A 414
HIS A 402
GLY A 468
None
1.02A 2ddwB-2dieA:
undetectable
2ddwB-2dieA:
20.34
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.
2dq7 PROTO-ONCOGENE
TYROSINE-PROTEIN
KINASE FYN


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 SER X 258
LEU X 256
THR X 252
PRO X 251
None
0.97A 2ddwB-2dq7X:
undetectable
2ddwB-2dq7X:
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.
2dzm FAS-ASSOCIATED
FACTOR 1


(Homo sapiens)
no annotation 4 SER A  47
LEU A  50
THR A  80
PRO A  81
None
0.87A 2ddwB-2dzmA:
undetectable
2ddwB-2dzmA:
15.14
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.
2eae ALPHA-FUCOSIDASE

(Bifidobacterium
bifidum)
PF14498
(Glyco_hyd_65N_2)
4 LEU A 546
THR A 558
GLY A 554
ASP A 555
None
0.97A 2ddwB-2eaeA:
undetectable
2ddwB-2eaeA:
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.
2fk6 RIBONUCLEASE Z

(Bacillus
subtilis)
PF12706
(Lactamase_B_2)
4 THR A 268
HIS A 269
GLY A   7
ASP A 298
None
ZN  A 401 (-3.6A)
None
None
1.03A 2ddwB-2fk6A:
undetectable
2ddwB-2fk6A:
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.
2grv LPQW

(Mycolicibacterium
smegmatis)
PF00496
(SBP_bac_5)
4 THR A 401
PRO A 400
GLY A 316
ASP A 318
None
0.99A 2ddwB-2grvA:
undetectable
2ddwB-2grvA:
19.68
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.
2gu3 YPMB PROTEIN

(Bacillus
subtilis)
PF03413
(PepSY)
4 LEU A 145
THR A 160
PRO A 161
GLY A 141
None
0.88A 2ddwB-2gu3A:
undetectable
2ddwB-2gu3A:
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.
2hma PROBABLE TRNA
(5-METHYLAMINOMETHYL
-2-THIOURIDYLATE)-ME
THYLTRANSFERASE


(Streptococcus
pneumoniae)
PF03054
(tRNA_Me_trans)
4 SER A 285
THR A 341
PRO A 342
GLY A 242
None
0.98A 2ddwB-2hmaA:
undetectable
2ddwB-2hmaA:
21.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ics ADENINE DEAMINASE

(Enterococcus
faecalis)
PF01979
(Amidohydro_1)
4 LEU A 209
THR A 210
HIS A 188
GLY A 247
None
KCX  A 154 ( 4.6A)
ZN  A 401 ( 3.2A)
None
0.99A 2ddwB-2icsA:
undetectable
2ddwB-2icsA:
24.26
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.
2imr HYPOTHETICAL PROTEIN
DR_0824


(Deinococcus
radiodurans)
PF01979
(Amidohydro_1)
4 SER A 167
THR A 397
PRO A 398
GLY A 389
None
0.76A 2ddwB-2imrA:
undetectable
2ddwB-2imrA:
22.51
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.
2kkx UNCHARACTERIZED
PROTEIN ECS2156


(Escherichia
coli)
PF06416
(T3SS_NleG)
4 LEU A 114
PRO A 107
GLY A 129
ASP A 145
None
0.82A 2ddwB-2kkxA:
undetectable
2ddwB-2kkxA:
15.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ocd L-ASPARAGINASE I

(Vibrio cholerae)
PF00710
(Asparaginase)
4 LEU A 149
THR A 115
GLY A 128
ASP A 127
None
0.99A 2ddwB-2ocdA:
undetectable
2ddwB-2ocdA:
22.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2pkq GLYCERALDEHYDE-3-PHO
SPHATE DEHYDROGENASE
B


(Spinacia
oleracea)
PF00044
(Gp_dh_N)
PF02672
(CP12)
PF02800
(Gp_dh_C)
4 PRO O  79
HIS O 108
GLY O 102
ASP O 101
None
1.01A 2ddwB-2pkqO:
3.3
2ddwB-2pkqO:
23.14
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.
2qhx PTERIDINE REDUCTASE
1


(Leishmania
major)
PF00106
(adh_short)
PF13561
(adh_short_C2)
4 THR A 165
PRO A 166
HIS A 169
GLY A 101
None
0.70A 2ddwB-2qhxA:
5.5
2ddwB-2qhxA:
21.59
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.
2qo3 ERYAII ERYTHROMYCIN
POLYKETIDE SYNTHASE
MODULES 3 AND 4


(Saccharopolyspora
erythraea)
PF00109
(ketoacyl-synt)
PF00698
(Acyl_transf_1)
PF02801
(Ketoacyl-synt_C)
PF16197
(KAsynt_C_assoc)
4 SER A 870
PRO A 832
HIS A 831
GLY A 862
None
0.96A 2ddwB-2qo3A:
undetectable
2ddwB-2qo3A:
15.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2r3b YJEF-RELATED PROTEIN

(Enterococcus
faecalis)
PF01256
(Carb_kinase)
4 SER A 244
LEU A 218
THR A 214
GLY A 208
None
None
EDO  A 294 (-4.8A)
None
0.90A 2ddwB-2r3bA:
5.5
2ddwB-2r3bA:
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.
2rjt BETA-KETOACYL-ACP
SYNTHASE II


(Streptococcus
pneumoniae)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
4 THR A 196
PRO A 197
GLY A 111
ASP A  72
None
0.90A 2ddwB-2rjtA:
undetectable
2ddwB-2rjtA:
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.
2xry DEOXYRIBODIPYRIMIDIN
E PHOTOLYASE


(Methanosarcina
mazei)
PF00875
(DNA_photolyase)
4 LEU A 120
PRO A 413
GLY A 274
ASP A  28
GOL  A1473 ( 4.0A)
None
None
None
1.06A 2ddwB-2xryA:
undetectable
2ddwB-2xryA:
22.49
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.
2yhg CELLULOSE-BINDING
PROTEIN


(Saccharophagus
degradans)
PF07632
(DUF1593)
4 SER A 604
LEU A 602
THR A 598
PRO A 597
None
0.98A 2ddwB-2yhgA:
undetectable
2ddwB-2yhgA:
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.
2z3t CYTOCHROME P450

(Streptomyces
sp. TP-A0274)
PF00067
(p450)
4 THR A 260
HIS A 256
GLY A 151
ASP A 147
None
0.94A 2ddwB-2z3tA:
undetectable
2ddwB-2z3tA:
23.46
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.
3c60 TCR YAE62 ALPHA
CHAIN
TCR YAE62 BETA CHAIN


(Mus musculus)
PF07654
(C1-set)
PF07686
(V-set)
PF09291
(DUF1968)
4 LEU A  32
THR A  31
PRO A  30
GLY B  96
None
1.02A 2ddwB-3c60A:
undetectable
2ddwB-3c60A:
19.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cjp PREDICTED
AMIDOHYDROLASE,
DIHYDROOROTASE
FAMILY


(Clostridium
acetobutylicum)
PF04909
(Amidohydro_2)
4 SER A 236
HIS A 179
GLY A   7
ASP A   6
None
ZN  A 301 (-3.2A)
None
None
0.71A 2ddwB-3cjpA:
2.3
2ddwB-3cjpA:
22.12
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.
3cjp PREDICTED
AMIDOHYDROLASE,
DIHYDROOROTASE
FAMILY


(Clostridium
acetobutylicum)
PF04909
(Amidohydro_2)
4 SER A 236
THR A 202
GLY A   7
ASP A   6
None
1.00A 2ddwB-3cjpA:
2.3
2ddwB-3cjpA:
22.12
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.
3gdb PUTATIVE
UNCHARACTERIZED
PROTEIN SPR0440


(Streptococcus
pneumoniae)
PF03644
(Glyco_hydro_85)
4 LEU A 698
THR A 699
GLY A 786
ASP A 739
None
0.97A 2ddwB-3gdbA:
undetectable
2ddwB-3gdbA:
15.37
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.
3h0l GLUTAMYL-TRNA(GLN)
AMIDOTRANSFERASE
SUBUNIT A


(Aquifex
aeolicus)
PF01425
(Amidase)
4 LEU A 420
THR A 397
PRO A 398
GLY A 145
None
0.87A 2ddwB-3h0lA:
undetectable
2ddwB-3h0lA:
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.
3hvm AGMATINE DEIMINASE

(Helicobacter
pylori)
PF04371
(PAD_porph)
4 LEU A 206
THR A 203
GLY A 141
ASP A  84
None
1.06A 2ddwB-3hvmA:
undetectable
2ddwB-3hvmA:
23.01
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.
3kbg 30S RIBOSOMAL
PROTEIN S4E


(Thermoplasma
acidophilum)
PF00900
(Ribosomal_S4e)
PF01479
(S4)
4 LEU A 202
THR A 211
HIS A 182
GLY A 187
None
0.82A 2ddwB-3kbgA:
undetectable
2ddwB-3kbgA:
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.
3ktn CARBOHYDRATE KINASE,
PFKB FAMILY


(Enterococcus
faecalis)
PF00294
(PfkB)
4 LEU A  27
PRO A  15
GLY A 313
ASP A 314
None
0.84A 2ddwB-3ktnA:
19.1
2ddwB-3ktnA:
21.29
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.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE


(Mus musculus)
PF00405
(Transferrin)
4 LEU A 582
PRO A 464
GLY A 388
ASP A 386
None
0.95A 2ddwB-3mc2A:
undetectable
2ddwB-3mc2A:
19.69
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.
3mor CATHEPSIN B-LIKE
CYSTEINE PROTEASE


(Trypanosoma
brucei)
PF00112
(Peptidase_C1)
4 SER A 121
THR A 212
PRO A 213
GLY A 159
None
None
NAG  A1216 (-4.6A)
None
0.84A 2ddwB-3morA:
undetectable
2ddwB-3morA:
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.
3nqi PUTATIVE LIPOPROTEIN

(Bacteroides
fragilis)
no annotation 4 LEU A 191
THR A 172
GLY A 115
ASP A 116
None
1.05A 2ddwB-3nqiA:
undetectable
2ddwB-3nqiA:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3oep PUTATIVE
UNCHARACTERIZED
PROTEIN TTHA0988


(Thermus
thermophilus)
PF02626
(CT_A_B)
PF02682
(CT_C_D)
4 THR A 204
PRO A 205
HIS A 148
GLY A 172
None
1.02A 2ddwB-3oepA:
undetectable
2ddwB-3oepA:
21.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3pvc TRNA
5-METHYLAMINOMETHYL-
2-THIOURIDINE
BIOSYNTHESIS
BIFUNCTIONAL PROTEIN
MNMC


(Yersinia pestis)
PF01266
(DAO)
PF05430
(Methyltransf_30)
4 THR A  75
HIS A  39
GLY A  34
ASP A  33
None
0.90A 2ddwB-3pvcA:
undetectable
2ddwB-3pvcA:
18.18
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.
3qre ENOYL-COA HYDRATASE,
ECHA12_1


(Mycobacterium
marinum)
PF00378
(ECH_1)
4 LEU A 108
THR A 106
HIS A 103
GLY A 229
None
0.79A 2ddwB-3qreA:
3.8
2ddwB-3qreA:
23.69
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.
3wfa ALPHA-GLUCOSIDASE

(Bacteroides
thetaiotaomicron)
PF10566
(Glyco_hydro_97)
PF14508
(GH97_N)
PF14509
(GH97_C)
4 THR A 270
PRO A 271
HIS A 480
GLY A 188
None
0.86A 2ddwB-3wfaA:
2.6
2ddwB-3wfaA:
16.55
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.
3zdb PROTEIN XNI

(Escherichia
coli)
PF01367
(5_3_exonuc)
PF02739
(5_3_exonuc_N)
4 LEU A 249
THR A  43
PRO A  42
HIS A   4
None
0.73A 2ddwB-3zdbA:
undetectable
2ddwB-3zdbA:
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.
3zk4 DIPHOSPHONUCLEOTIDE
PHOSPHATASE 1


(Lupinus luteus)
PF00149
(Metallophos)
PF14008
(Metallophos_C)
PF16656
(Pur_ac_phosph_N)
4 THR A 401
HIS A 400
GLY A 312
ASP A 313
None
None
None
MN  A 801 (-2.6A)
0.84A 2ddwB-3zk4A:
undetectable
2ddwB-3zk4A:
19.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3zs7 PYRIDOXAL KINASE

(Trypanosoma
brucei)
PF08543
(Phos_pyr_kin)
4 SER A  11
LEU A  42
GLY A 226
ASP A 229
None
None
ATP  A1301 (-4.1A)
ATP  A1301 ( 4.5A)
0.80A 2ddwB-3zs7A:
30.8
2ddwB-3zs7A:
29.60
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.
4c4a PROTEIN ARGININE
N-METHYLTRANSFERASE
7


(Mus musculus)
PF06325
(PrmA)
4 LEU A 406
THR A 428
GLY A 411
ASP A 410
None
1.04A 2ddwB-4c4aA:
undetectable
2ddwB-4c4aA:
18.07
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.
4ci8 ECHINODERM
MICROTUBULE-ASSOCIAT
ED PROTEIN-LIKE 1


(Homo sapiens)
PF00400
(WD40)
PF03451
(HELP)
4 SER A 684
PRO A 594
HIS A 593
GLY A 654
None
1.05A 2ddwB-4ci8A:
undetectable
2ddwB-4ci8A:
18.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4cp8 ALLOPHANATE
HYDROLASE


(Pseudomonas sp.
ADP)
PF01425
(Amidase)
4 LEU A 388
THR A 390
GLY A 190
ASP A 185
None
None
None
MLI  A1466 ( 4.9A)
0.86A 2ddwB-4cp8A:
undetectable
2ddwB-4cp8A:
19.26
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.
4dpk MALONYL-COA/SUCCINYL
-COA REDUCTASE


(Sulfurisphaera
tokodaii)
PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC)
4 THR A 283
PRO A 282
HIS A  30
GLY A 344
None
1.02A 2ddwB-4dpkA:
3.0
2ddwB-4dpkA:
22.69
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.
4eud SUCCINYL-COA:ACETATE
COENZYME A
TRANSFERASE


(Acetobacter
aceti)
PF02550
(AcetylCoA_hydro)
PF13336
(AcetylCoA_hyd_C)
4 SER A 445
THR A 482
PRO A 483
GLY A 370
None
0.98A 2ddwB-4eudA:
undetectable
2ddwB-4eudA:
21.37
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.
4evz HISF-LUCA

(synthetic
construct)
PF00977
(His_biosynth)
4 SER A 201
HIS A 229
GLY A 177
ASP A 176
PI  A 301 ( 4.7A)
None
PI  A 301 (-3.5A)
PI  A 301 (-3.6A)
1.04A 2ddwB-4evzA:
undetectable
2ddwB-4evzA:
22.85
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4f92 U5 SMALL NUCLEAR
RIBONUCLEOPROTEIN
200 KDA HELICASE


(Homo sapiens)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63)
4 LEU B1571
THR B1569
HIS B1621
GLY B1618
None
0.84A 2ddwB-4f92B:
undetectable
2ddwB-4f92B:
11.58
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.
4fsf PENICILLIN-BINDING
PROTEIN 3


(Pseudomonas
aeruginosa)
PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
4 SER A 538
LEU A 506
THR A 487
GLY A 531
None
None
0W0  A 601 (-3.7A)
None
0.90A 2ddwB-4fsfA:
undetectable
2ddwB-4fsfA:
19.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4gys ALLOPHANATE
HYDROLASE


(Granulibacter
bethesdensis)
PF01425
(Amidase)
4 LEU A 367
THR A 369
GLY A 173
ASP A 168
None
None
None
MLI  A1000 ( 4.7A)
0.96A 2ddwB-4gysA:
undetectable
2ddwB-4gysA:
19.36
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.
4kpn NUCLEOSIDE
N-RIBOHYDROLASE 1


(Physcomitrella
patens)
PF01156
(IU_nuc_hydro)
4 LEU A 256
THR A 210
HIS A 211
GLY A 168
None
1.03A 2ddwB-4kpnA:
6.2
2ddwB-4kpnA:
23.74
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.
4ldg PROTEIN WITH A SET
DOMAIN WITHIN
CARBOXY REGION


(Cryptosporidium
parvum)
PF00856
(SET)
4 LEU A 141
THR A 140
HIS A 137
GLY A 218
None
0.93A 2ddwB-4ldgA:
undetectable
2ddwB-4ldgA:
19.53
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.
4mow GLUCOSE
1-DEHYDROGENASE


(Burkholderia
cenocepacia)
PF13561
(adh_short_C2)
4 THR A 147
PRO A 148
GLY A 159
ASP A 162
None
1.00A 2ddwB-4mowA:
5.7
2ddwB-4mowA:
24.17
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.
4r10 PROTEIN HUMPBACK-2

(Caenorhabditis
elegans)
PF00514
(Arm)
4 LEU A 246
PRO A 212
HIS A 213
GLY A 228
None
0.93A 2ddwB-4r10A:
undetectable
2ddwB-4r10A:
21.53
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.
4rl1 TYPE I POLYKETIDE
SYNTHASE AVES 1


(Streptomyces
avermitilis)
PF00698
(Acyl_transf_1)
4 SER A 346
PRO A 305
HIS A 304
GLY A 338
None
0.84A 2ddwB-4rl1A:
undetectable
2ddwB-4rl1A:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s1i PYRIDOXAL KINASE

(Entamoeba
histolytica)
PF08543
(Phos_pyr_kin)
4 SER B  10
LEU B  41
GLY B 215
ASP B 218
PLP  B 302 (-2.4A)
PLP  B 302 (-4.9A)
None
PLP  B 302 (-3.5A)
0.60A 2ddwB-4s1iB:
31.1
2ddwB-4s1iB:
24.08
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.
4ufc GH95

(Bacteroides
ovatus)
PF14498
(Glyco_hyd_65N_2)
4 LEU A 642
PRO A 665
HIS A 664
GLY A 671
None
None
GIV  A1809 (-4.0A)
None
1.04A 2ddwB-4ufcA:
undetectable
2ddwB-4ufcA:
17.88
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.
4uym 14-ALPHA STEROL
DEMETHYLASE


(Aspergillus
fumigatus)
PF00067
(p450)
4 SER A  64
THR A  96
HIS A 397
GLY A  93
None
1.05A 2ddwB-4uymA:
undetectable
2ddwB-4uymA:
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.
4xmv AMINOPEPTIDASE N

(Escherichia
coli)
PF01433
(Peptidase_M1)
PF11940
(DUF3458)
PF17432
(DUF3458_C)
4 LEU A 247
PRO A 179
GLY A 413
ASP A 412
None
0.98A 2ddwB-4xmvA:
2.3
2ddwB-4xmvA:
15.59
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.
5ajh CUTINASE

(Fusarium
oxysporum)
PF01083
(Cutinase)
4 SER A  93
LEU A  87
PRO A  88
ASP A 133
None
0.96A 2ddwB-5ajhA:
undetectable
2ddwB-5ajhA:
22.43
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5d8m METAGENOMIC CARBOXYL
ESTERASE MGS0156


(uncultured
organism)
no annotation 4 SER A 232
LEU A 169
GLY A 351
ASP A 350
None
1.04A 2ddwB-5d8mA:
4.9
2ddwB-5d8mA:
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.
5dan 2,5-DIKETO-D-GLUCONI
C ACID REDUCTASE


(Thermotoga
maritima)
PF00248
(Aldo_ket_red)
4 SER A  83
THR A  63
GLY A  19
ASP A  53
None
None
NAP  A 301 (-3.2A)
NAP  A 301 (-3.8A)
0.95A 2ddwB-5danA:
undetectable
2ddwB-5danA:
22.37
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.
5fgw EXTRACELLULAR
STREPTODORNASE D


(Streptococcus
pyogenes)
PF01223
(Endonuclease_NS)
4 SER A  97
LEU A 189
THR A 245
PRO A 246
None
0.98A 2ddwB-5fgwA:
undetectable
2ddwB-5fgwA:
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.
5fic SPHINGOMYELIN
PHOSPHODIESTERASE


(Mus musculus)
PF00149
(Metallophos)
4 LEU A 479
PRO A 425
GLY A 315
ASP A 276
None
None
None
ZN  A 702 (-2.4A)
0.90A 2ddwB-5ficA:
undetectable
2ddwB-5ficA:
20.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5fv4 CARBOXYLIC ESTER
HYDROLASE


(Sus scrofa)
PF00135
(COesterase)
4 LEU A 399
PRO A 342
GLY A 450
ASP A 451
None
0.69A 2ddwB-5fv4A:
undetectable
2ddwB-5fv4A:
20.22
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.
5hqn SPHINGOMYELIN
PHOSPHODIESTERASE


(Mus musculus)
PF00149
(Metallophos)
4 LEU A 479
PRO A 425
GLY A 315
ASP A 276
None
None
None
ZN  A 702 (-2.3A)
0.97A 2ddwB-5hqnA:
undetectable
2ddwB-5hqnA:
20.92
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.
5i85 SPHINGOMYELIN
PHOSPHODIESTERASE


(Homo sapiens)
PF00149
(Metallophos)
4 LEU A 481
PRO A 427
GLY A 317
ASP A 278
None
None
None
ZN  A 714 (-2.6A)
0.92A 2ddwB-5i85A:
2.1
2ddwB-5i85A:
18.71
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.
5l5g PLEXIN-A2

(Mus musculus)
PF01403
(Sema)
PF01437
(PSI)
PF01833
(TIG)
4 LEU A 217
PRO A 288
GLY A 180
ASP A 179
None
0.90A 2ddwB-5l5gA:
undetectable
2ddwB-5l5gA:
13.40
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1)
no annotation 4 THR B 264
PRO B 265
GLY B 895
ASP B 896
None
0.93A 2ddwB-5nd1B:
undetectable
2ddwB-5nd1B:
14.71
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.
5nd1 CAPSID PROTEIN

(Rosellinia
necatrix
quadrivirus 1)
no annotation 4 THR B 264
PRO B 265
HIS B 266
GLY B 895
None
0.87A 2ddwB-5nd1B:
undetectable
2ddwB-5nd1B:
14.71
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.
5o9i TRANSCRIPTION
INITIATION FACTOR
IIB,TRANSCRIPTION
INITIATION FACTOR
IIB


(Methanocaldococcus
vulcanius)
no annotation 4 THR A 164
PRO A 163
GLY A  22
ASP A  26
None
0.90A 2ddwB-5o9iA:
undetectable
2ddwB-5o9iA:
18.47
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.
5oom 39S RIBOSOMAL
PROTEIN L39,
MITOCHONDRIAL


(Homo sapiens)
no annotation 4 SER 7 201
LEU 7 199
THR 7 195
PRO 7 194
None
0.80A 2ddwB-5oom7:
undetectable
2ddwB-5oom7:
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.
5tta PUTATIVE EXPORTED
PROTEIN


(Clostridioides
difficile)
no annotation 4 THR A  79
HIS A  82
GLY A 143
ASP A 141
None
1.01A 2ddwB-5ttaA:
undetectable
2ddwB-5ttaA:
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.
5tz8 GLYCOSYL TRANSFERASE

(Staphylococcus
aureus)
PF00535
(Glycos_transf_2)
4 LEU A 472
THR A 473
PRO A 474
GLY A 514
None
1.04A 2ddwB-5tz8A:
undetectable
2ddwB-5tz8A:
21.62
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.
5u02 GLYCOSYL TRANSFERASE

(Staphylococcus
aureus)
no annotation 4 LEU A 472
THR A 473
PRO A 474
GLY A 514
None
IMD  A 601 (-3.8A)
None
None
1.05A 2ddwB-5u02A:
undetectable
2ddwB-5u02A:
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.
5uq6 TARTRATE-RESISTANT
ACID PHOSPHATASE
TYPE 5


(Sus scrofa)
PF00149
(Metallophos)
4 LEU A 238
PRO A 188
GLY A  90
ASP A  52
None
None
None
FE  A 403 ( 2.7A)
0.92A 2ddwB-5uq6A:
2.2
2ddwB-5uq6A:
22.92
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xpg UNCHARACTERIZED
PROTEIN


(Thermus
thermophilus)
no annotation 4 LEU A 638
THR A 639
PRO A 653
GLY A 591
None
0.82A 2ddwB-5xpgA:
undetectable
2ddwB-5xpgA:
15.19
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.
5y1g NAD DEPENDENT
EPIMERASE/DEHYDRATAS
E FAMILY


(uncultured
archaeon
MedDCM-OCT-S05-C57)
no annotation 4 THR A 124
PRO A 125
GLY A 116
ASP A 118
None
1.00A 2ddwB-5y1gA:
2.5
2ddwB-5y1gA:
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.
6c2h CYSTATHIONINE
BETA-SYNTHASE


(Saccharomyces
cerevisiae)
no annotation 4 THR A  81
PRO A  80
HIS A 138
GLY A 245
ACT  A 402 (-3.5A)
None
None
PLP  A 401 ( 3.9A)
1.05A 2ddwB-6c2hA:
2.3
2ddwB-6c2hA:
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.
6c3p ATP-BINDING CASSETTE
SUB-FAMILY C MEMBER
8


(Homo sapiens)
no annotation 4 SER E 403
THR E 689
PRO E 690
GLY E 410
None
0.74A 2ddwB-6c3pE:
undetectable
2ddwB-6c3pE:
14.29
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.
6c62 BIURET HYDROLASE

(Pseudomonas sp.
ADP)
no annotation 4 LEU A 400
THR A 372
PRO A 373
GLY A 148
None
0.83A 2ddwB-6c62A:
undetectable
2ddwB-6c62A:
15.25