SIMILAR PATTERNS OF AMINO ACIDS FOR 4X3M_A_ADNA301

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.
1b8x PROTEIN (AML-1B)

(Escherichia
coli)
PF02798
(GST_N)
PF14497
(GST_C_3)
5 LEU A   4
GLY A   5
ILE A  71
SER A  67
THR A  16
None
1.08A 4x3mA-1b8xA:
undetectable
4x3mA-1b8xA:
22.18
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.
1bg5 FUSION PROTEIN OF
ALPHA-NA,K-ATPASE
WITH GLUTATHIONE
S-TRANSFERASE


(Rattus
norvegicus)
PF02798
(GST_N)
PF14497
(GST_C_3)
5 LEU A   5
GLY A   6
ILE A  75
VAL A  14
THR A  17
None
1.29A 4x3mA-1bg5A:
undetectable
4x3mA-1bg5A:
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.
1c3c PROTEIN
(ADENYLOSUCCINATE
LYASE)


(Thermotoga
maritima)
PF00206
(Lyase_1)
PF10397
(ADSL_C)
5 LEU A 204
GLY A 203
GLU A  25
ILE A 180
THR A 100
None
1.45A 4x3mA-1c3cA:
undetectable
4x3mA-1c3cA:
23.33
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.
1d1t ALCOHOL
DEHYDROGENASE CLASS
IV SIGMA CHAIN


(Homo sapiens)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 PRO A 243
LEU A 200
GLY A 199
ILE A 241
VAL A 197
None
None
NAD  A1377 ( 3.7A)
None
None
1.10A 4x3mA-1d1tA:
2.8
4x3mA-1d1tA:
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.
1dof ADENYLOSUCCINATE
LYASE


(Pyrobaculum
aerophilum)
PF00206
(Lyase_1)
5 LEU A 208
GLY A 207
GLU A  30
ILE A 181
THR A 102
None
1.42A 4x3mA-1dofA:
undetectable
4x3mA-1dofA:
25.18
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.
1f20 NITRIC-OXIDE
SYNTHASE


(Rattus
norvegicus)
PF00175
(NAD_binding_1)
PF00667
(FAD_binding_1)
5 PRO A1205
LEU A1043
GLU A1151
VAL A1147
THR A1145
None
1.46A 4x3mA-1f20A:
undetectable
4x3mA-1f20A:
22.91
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1ipa RNA 2'-O-RIBOSE
METHYLTRANSFERASE


(Thermus
thermophilus)
PF00588
(SpoU_methylase)
PF08032
(SpoU_sub_bind)
5 GLY A 215
ILE A 235
MET A 237
SER A 243
VAL A 246
None
0.73A 4x3mA-1ipaA:
25.3
4x3mA-1ipaA:
53.93
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.
1j0n XANTHAN LYASE

(Bacillus sp.
GL1)
PF02278
(Lyase_8)
PF02884
(Lyase_8_C)
PF08124
(Lyase_8_N)
5 GLY A 194
ILE A 202
MET A 156
VAL A 259
THR A 262
None
1.10A 4x3mA-1j0nA:
undetectable
4x3mA-1j0nA:
17.26
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.
1jqo PHOSPHOENOLPYRUVATE
CARBOXYLASE


(Zea mays)
PF00311
(PEPcase)
5 LEU A  83
GLY A  84
ILE A 102
VAL A 903
THR A 900
None
1.21A 4x3mA-1jqoA:
2.6
4x3mA-1jqoA:
15.23
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.
1lac DIHYDROLIPOAMIDE
ACETYLTRANSFERASE


(Geobacillus
stearothermophilus)
PF00364
(Biotin_lipoyl)
5 LEU A  75
GLY A  53
GLU A  31
ILE A  47
VAL A  51
None
1.24A 4x3mA-1lacA:
undetectable
4x3mA-1lacA:
16.29
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.
1q3t CYTIDYLATE KINASE

(Streptococcus
pneumoniae)
PF02224
(Cytidylate_kin)
5 LEU A  59
ILE A 115
SER A 113
VAL A 108
THR A  55
None
1.43A 4x3mA-1q3tA:
undetectable
4x3mA-1q3tA:
21.40
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.
1r1a HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP1)
HUMAN RHINOVIRUS 1A
COAT PROTEIN
(SUBUNIT VP2)


(Rhinovirus A)
PF00073
(Rhv)
5 LEU 2 173
GLY 2 177
ILE 1 278
VAL 1 257
THR 1 276
None
1.25A 4x3mA-1r1a2:
undetectable
4x3mA-1r1a2:
20.53
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.
1u3t ALCOHOL
DEHYDROGENASE ALPHA
CHAIN


(Homo sapiens)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 PRO A 243
LEU A 200
GLY A 199
ILE A 241
VAL A 197
None
None
NAD  A1377 (-3.5A)
None
None
1.19A 4x3mA-1u3tA:
2.6
4x3mA-1u3tA:
22.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v2x TRNA (GM18)
METHYLTRANSFERASE


(Thermus
thermophilus)
PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C)
5 GLY A 122
ILE A 142
MET A 144
SER A 150
VAL A 153
SAM  A 400 (-3.2A)
SAM  A 400 (-3.6A)
SAM  A 400 (-3.3A)
SAM  A 400 ( 3.7A)
SAM  A 400 (-3.9A)
0.43A 4x3mA-1v2xA:
18.7
4x3mA-1v2xA:
30.30
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.
1v33 DNA PRIMASE SMALL
SUBUNIT


(Pyrococcus
horikoshii)
PF01896
(DNA_primase_S)
5 PRO A 256
LEU A 264
GLY A 260
ILE A 242
SER A 234
None
1.21A 4x3mA-1v33A:
undetectable
4x3mA-1v33A:
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.
1v5b 3-ISOPROPYLMALATE
DEHYDROGENASE


(Bacillus
coagulans)
PF00180
(Iso_dh)
5 LEU A 248
GLY A 245
SER A 187
VAL A 221
THR A 224
None
0.99A 4x3mA-1v5bA:
2.1
4x3mA-1v5bA:
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.
1vbg PYRUVATE,ORTHOPHOSPH
ATE DIKINASE


(Zea mays)
PF00391
(PEP-utilizers)
PF01326
(PPDK_N)
PF02896
(PEP-utilizers_C)
5 LEU A 719
GLY A 720
ILE A 749
VAL A 710
THR A 747
None
1.48A 4x3mA-1vbgA:
undetectable
4x3mA-1vbgA:
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.
1vjo ALANINE--GLYOXYLATE
AMINOTRANSFERASE


(Nostoc sp. PCC
7120)
PF00266
(Aminotran_5)
5 PRO A  28
LEU A 314
GLY A 161
GLU A 157
THR A 186
None
None
None
None
PLP  A 400 (-4.5A)
1.04A 4x3mA-1vjoA:
undetectable
4x3mA-1vjoA:
23.10
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.
1vkz PHOSPHORIBOSYLAMINE-
-GLYCINE LIGASE


(Thermotoga
maritima)
PF01071
(GARS_A)
PF02843
(GARS_C)
PF02844
(GARS_N)
5 GLY A  19
GLU A  15
ILE A 286
MET A 188
THR A 283
None
1.37A 4x3mA-1vkzA:
2.9
4x3mA-1vkzA:
23.68
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.
1wcg THIOGLUCOSIDASE

(Brevicoryne
brassicae)
PF00232
(Glyco_hydro_1)
5 LEU A 434
GLY A 433
ILE A  68
VAL A 415
THR A  13
None
1.50A 4x3mA-1wcgA:
2.8
4x3mA-1wcgA:
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.
1zjr TRNA
(GUANOSINE-2'-O-)-ME
THYLTRANSFERASE


(Aquifex
aeolicus)
PF00588
(SpoU_methylase)
PF12105
(SpoU_methylas_C)
5 GLY A 126
ILE A 146
MET A 148
SER A 154
VAL A 157
GOL  A 529 (-4.0A)
None
None
GOL  A 529 (-3.5A)
GOL  A 529 (-3.7A)
0.63A 4x3mA-1zjrA:
15.4
4x3mA-1zjrA:
24.16
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.
2a3n PUTATIVE
GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE


(Salmonella
enterica)
PF01380
(SIS)
5 LEU A 131
GLY A 101
MET A  57
SER A  53
THR A  96
None
1.42A 4x3mA-2a3nA:
2.5
4x3mA-2a3nA:
22.25
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2dm4 SORTILIN-RELATED
RECEPTOR


(Homo sapiens)
PF00041
(fn3)
5 PRO A  19
GLY A 102
ILE A  26
VAL A  72
THR A  99
None
1.28A 4x3mA-2dm4A:
undetectable
4x3mA-2dm4A:
16.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2eel CELL DEATH ACTIVATOR
CIDE-A


(Homo sapiens)
PF02017
(CIDE-N)
5 LEU A  33
ILE A  76
SER A  15
VAL A  25
THR A  37
None
1.35A 4x3mA-2eelA:
undetectable
4x3mA-2eelA:
16.29
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.
2fzw ALCOHOL
DEHYDROGENASE CLASS
III CHI CHAIN


(Homo sapiens)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 PRO A 242
LEU A 199
GLY A 198
ILE A 240
VAL A 196
None
None
NAD  A1377 (-3.6A)
None
None
1.11A 4x3mA-2fzwA:
3.0
4x3mA-2fzwA:
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.
2ha8 TAR (HIV-1) RNA LOOP
BINDING PROTEIN


(Homo sapiens)
PF00588
(SpoU_methylase)
5 LEU A 128
GLY A 129
ILE A 149
SER A 157
VAL A 160
SAH  A 401 ( 4.6A)
SAH  A 401 (-3.1A)
SAH  A 401 (-3.8A)
SAH  A 401 ( 3.8A)
SAH  A 401 (-3.6A)
0.92A 4x3mA-2ha8A:
19.8
4x3mA-2ha8A:
26.82
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.
2vsm HEMAGGLUTININ-NEURAM
INIDASE


(Nipah
henipavirus)
PF00423
(HN)
5 PRO A 273
LEU A 319
GLY A 251
VAL A 293
THR A 317
None
1.08A 4x3mA-2vsmA:
undetectable
4x3mA-2vsmA:
20.53
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.
2ynm LIGHT-INDEPENDENT
PROTOCHLOROPHYLLIDE
REDUCTASE SUBUNIT B


(Prochlorococcus
marinus)
PF00148
(Oxidored_nitro)
PF08369
(PCP_red)
5 LEU D 120
GLY D  92
ILE D  19
MET D  23
THR D 136
None
1.36A 4x3mA-2ynmD:
undetectable
4x3mA-2ynmD:
21.12
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.
3cru GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME


(Schistosoma
japonicum)
PF02798
(GST_N)
PF14497
(GST_C_3)
5 LEU A   5
GLY A   6
ILE A  75
VAL A  14
THR A  17
None
1.16A 4x3mA-3cruA:
undetectable
4x3mA-3cruA:
24.07
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.
3e48 PUTATIVE
NUCLEOSIDE-DIPHOSPHA
TE-SUGAR EPIMERASE


(Staphylococcus
aureus)
PF13460
(NAD_binding_10)
5 PRO A 163
GLY A 240
GLU A 231
ILE A 161
SER A 225
None
1.13A 4x3mA-3e48A:
2.7
4x3mA-3e48A:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fah ALDEHYDE
OXIDOREDUCTASE


(Desulfovibrio
gigas)
PF00111
(Fer2)
PF01315
(Ald_Xan_dh_C)
PF01799
(Fer2_2)
PF02738
(Ald_Xan_dh_C2)
5 LEU A  85
ILE A  76
SER A 104
VAL A 186
THR A 190
None
None
FES  A 908 ( 4.7A)
None
None
1.30A 4x3mA-3fahA:
undetectable
4x3mA-3fahA:
15.54
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.
3fed GLUTAMATE
CARBOXYPEPTIDASE III


(Homo sapiens)
PF02225
(PA)
PF04253
(TFR_dimer)
PF04389
(Peptidase_M28)
5 LEU A 299
GLY A 322
ILE A 216
MET A 334
VAL A 165
None
1.47A 4x3mA-3fedA:
2.4
4x3mA-3fedA:
16.53
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.
3gyq RRNA
(ADENOSINE-2'-O-)-ME
THYLTRANSFERASE


(Streptomyces
cyaneus)
PF00588
(SpoU_methylase)
PF04705
(TSNR_N)
5 GLY A 218
ILE A 238
MET A 240
SER A 246
VAL A 249
SAM  A 270 (-2.9A)
SAM  A 270 (-3.5A)
SAM  A 270 (-3.5A)
SAM  A 270 (-2.8A)
SAM  A 270 ( 4.2A)
0.91A 4x3mA-3gyqA:
22.8
4x3mA-3gyqA:
29.23
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.
3kzu 3-OXOACYL-(ACYL-CARR
IER-PROTEIN)
SYNTHASE II


(Brucella
melitensis)
PF00109
(ketoacyl-synt)
PF02801
(Ketoacyl-synt_C)
5 LEU A   9
GLY A   8
ILE A 364
VAL A 358
THR A 361
None
1.45A 4x3mA-3kzuA:
undetectable
4x3mA-3kzuA:
24.25
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.
3lcc PUTATIVE METHYL
CHLORIDE TRANSFERASE


(Arabidopsis
thaliana)
PF05724
(TPMT)
5 LEU A 220
GLY A 221
GLU A 166
ILE A  56
MET A  84
None
1.36A 4x3mA-3lccA:
undetectable
4x3mA-3lccA:
22.30
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3nk7 23S RRNA
METHYLTRANSFERASE


(Streptomyces
actuosus)
PF00588
(SpoU_methylase)
PF04705
(TSNR_N)
5 GLY A 218
ILE A 238
MET A 240
SER A 246
VAL A 249
SAM  A 770 (-3.0A)
SAM  A 770 (-3.8A)
SAM  A 770 (-3.3A)
SAM  A 770 (-3.9A)
SAM  A 770 (-3.7A)
0.64A 4x3mA-3nk7A:
24.9
4x3mA-3nk7A:
30.21
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.
3noy 4-HYDROXY-3-METHYLBU
T-2-EN-1-YL
DIPHOSPHATE SYNTHASE


(Aquifex
aeolicus)
PF04551
(GcpE)
5 LEU A 235
GLY A 208
ILE A 249
VAL A 241
THR A 245
None
1.39A 4x3mA-3noyA:
undetectable
4x3mA-3noyA:
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.
3qnq PTS SYSTEM,
CELLOBIOSE-SPECIFIC
IIC COMPONENT


(Bacillus cereus)
PF02378
(PTS_EIIC)
5 LEU A 106
GLY A 190
ILE A 152
VAL A 194
THR A 110
None
1.27A 4x3mA-3qnqA:
undetectable
4x3mA-3qnqA:
21.80
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.
3r4t 4-AMINOBUTYRATE
AMINOTRANSFERASE
GABT


(Mycobacterium
marinum)
PF00202
(Aminotran_3)
5 GLY A 296
ILE A 338
MET A 343
VAL A  77
THR A 334
LLP  A 291 ( 4.9A)
None
None
None
None
1.29A 4x3mA-3r4tA:
undetectable
4x3mA-3r4tA:
24.41
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.
3sdo NITRILOTRIACETATE
MONOOXYGENASE


(Burkholderia
pseudomallei)
PF00296
(Bac_luciferase)
5 PRO A 271
LEU A 401
GLY A 400
MET A 378
VAL A 405
None
1.44A 4x3mA-3sdoA:
3.8
4x3mA-3sdoA:
21.26
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.
3tr9 DIHYDROPTEROATE
SYNTHASE


(Coxiella
burnetii)
PF00809
(Pterin_bind)
5 GLY A  32
GLU A  61
ILE A 257
VAL A 276
THR A 279
None
1.45A 4x3mA-3tr9A:
3.6
4x3mA-3tr9A:
22.06
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.
3uho GLUTAMATE RACEMASE

(Campylobacter
jejuni)
PF01177
(Asp_Glu_race)
5 LEU A  13
GLY A  12
GLU A 150
ILE A 243
THR A 240
None
1.44A 4x3mA-3uhoA:
undetectable
4x3mA-3uhoA:
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.
3vsc PROTEIN CYSO

(Aeropyrum
pernix)
PF00291
(PALP)
5 PRO A 368
LEU A 114
MET A 266
SER A 259
VAL A 346
PLP  A 401 (-4.1A)
None
None
PLP  A 401 (-3.4A)
None
1.49A 4x3mA-3vscA:
undetectable
4x3mA-3vscA:
23.85
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.
3vyl L-RIBULOSE
3-EPIMERASE


(Mesorhizobium
loti)
PF01261
(AP_endonuc_2)
5 LEU A  59
GLY A  60
ILE A   6
SER A   8
THR A  27
None
1.45A 4x3mA-3vylA:
3.0
4x3mA-3vylA:
24.44
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.
3zyt ESTERASE A

(Paenarthrobacter
nitroguajacolicus)
PF00144
(Beta-lactamase)
5 LEU A 265
GLU A 252
ILE A 177
MET A  64
THR A 181
None
1.31A 4x3mA-3zytA:
undetectable
4x3mA-3zytA:
25.85
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.
4bva THIOMORPHOLINE-CARBO
XYLATE DEHYDROGENASE


(Mus musculus)
PF02423
(OCD_Mu_crystall)
5 LEU A  23
GLU A  69
ILE A 114
MET A 109
VAL A 300
None
1.38A 4x3mA-4bvaA:
2.4
4x3mA-4bvaA:
23.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4e8o AAC(6')-IH PROTEIN

(Acinetobacter
baumannii)
PF00583
(Acetyltransf_1)
5 LEU A 130
GLY A 131
GLU A 101
VAL A  97
THR A  94
None
1.37A 4x3mA-4e8oA:
undetectable
4x3mA-4e8oA:
19.77
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.
4ilq CT771

(Chlamydia
trachomatis)
PF00293
(NUDIX)
5 PRO A  14
GLY A  67
ILE A  31
VAL A  61
THR A  64
None
1.28A 4x3mA-4ilqA:
undetectable
4x3mA-4ilqA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ilq CT771

(Chlamydia
trachomatis)
PF00293
(NUDIX)
5 PRO A  52
GLY A  44
ILE A  75
VAL A  94
THR A  95
None
SO4  A 201 (-3.2A)
None
None
None
1.41A 4x3mA-4ilqA:
undetectable
4x3mA-4ilqA:
20.78
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4iu9 NITRITE EXTRUSION
PROTEIN 2


(Escherichia
coli)
no annotation 5 PRO B 296
LEU B 174
GLY B 175
ILE B 298
MET B 353
None
1.34A 4x3mA-4iu9B:
undetectable
4x3mA-4iu9B:
20.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4nvt TRIOSEPHOSPHATE
ISOMERASE


(Brucella
melitensis)
PF00121
(TIM)
5 LEU A  65
GLY A  66
ILE A  28
SER A 238
VAL A  46
None
1.27A 4x3mA-4nvtA:
3.6
4x3mA-4nvtA:
25.26
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.
4o99 ACETYL-COA
ACETYLTRANSFERASE


(Cupriavidus
necator)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
5 PRO A  65
GLY A  54
GLU A 116
SER A  61
VAL A  56
None
1.38A 4x3mA-4o99A:
undetectable
4x3mA-4o99A:
24.62
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.
4ptf DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A


(Saccharomyces
cerevisiae)
PF00136
(DNA_pol_B)
PF03104
(DNA_pol_B_exo1)
5 LEU A 515
GLY A 511
ILE A 493
MET A 420
THR A 507
None
1.46A 4x3mA-4ptfA:
undetectable
4x3mA-4ptfA:
12.53
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.
4pzk TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE


(Bacillus
anthracis)
PF00588
(SpoU_methylase)
5 GLY A 104
ILE A 125
MET A 127
SER A 133
THR A 139
SAH  A 201 (-3.1A)
SAH  A 201 (-3.9A)
SAH  A 201 (-3.3A)
SAH  A 201 ( 3.8A)
SAH  A 201 (-3.6A)
0.76A 4x3mA-4pzkA:
17.6
4x3mA-4pzkA:
25.27
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.
4u0p LIPOYL SYNTHASE 2

(Thermosynechococcus
elongatus)
PF04055
(Radical_SAM)
5 PRO B 179
GLY B 214
GLU B 219
VAL B 173
THR B 172
None
1.42A 4x3mA-4u0pB:
undetectable
4x3mA-4u0pB:
24.84
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.
4wr4 GLUTATHIONE
S-TRANSFERASE
CLASS-MU 26 KDA
ISOZYME


(Schistosoma
japonicum)
PF02798
(GST_N)
PF14497
(GST_C_3)
5 LEU A   4
GLY A   5
ILE A  74
VAL A  13
THR A  16
BYR  A  57 ( 4.4A)
BYR  A  32 ( 4.5A)
BYR  A  73 ( 4.3A)
None
None
1.16A 4x3mA-4wr4A:
undetectable
4x3mA-4wr4A:
21.86
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xsv ETHANOLAMINE-PHOSPHA
TE
CYTIDYLYLTRANSFERASE


(Homo sapiens)
PF01467
(CTP_transf_like)
5 LEU A 249
GLY A 248
GLU A 283
VAL A 284
THR A 272
None
1.40A 4x3mA-4xsvA:
undetectable
4x3mA-4xsvA:
21.13
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cnx AMINOPEPTIDASE YPDF

(Escherichia
coli)
PF00557
(Peptidase_M24)
PF01321
(Creatinase_N)
5 PRO A 194
GLY A 330
ILE A 184
VAL A 332
THR A 210
None
1.37A 4x3mA-5cnxA:
undetectable
4x3mA-5cnxA:
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.
5co4 PUTATIVE TRNA
(CYTIDINE(34)-2'-O)-
METHYLTRANSFERASE


(Thermus
thermophilus)
no annotation 5 GLY B 101
GLU B 103
ILE B 120
MET B 122
SER B 128
MTA  B 401 (-3.2A)
MTA  B 401 (-4.3A)
MTA  B 401 (-3.7A)
MTA  B 401 (-3.4A)
MTA  B 401 ( 3.9A)
0.62A 4x3mA-5co4B:
19.1
4x3mA-5co4B:
26.34
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.
5jtk UNCHARACTERIZED
PROTEIN


(Pseudomonas
aeruginosa)
no annotation 5 PRO A   3
LEU A  51
GLY A  86
ILE A   7
VAL A  40
None
1.01A 4x3mA-5jtkA:
undetectable
4x3mA-5jtkA:
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.
5k1s OXIDOREDUCTASE,
ZINC-BINDING
DEHYDROGENASE FAMILY


(Myxococcus
xanthus)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
5 GLY A 220
ILE A 242
SER A 176
VAL A 197
THR A 173
None
1.43A 4x3mA-5k1sA:
2.3
4x3mA-5k1sA:
26.68
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.
5kp8 CURB

(Lyngbya
majuscula)
PF00550
(PP-binding)
5 LEU B  26
GLU B  22
ILE B  45
MET B  48
THR B  14
None
1.38A 4x3mA-5kp8B:
undetectable
4x3mA-5kp8B:
17.96
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.
5m85 SENSORY TRANSDUCTION
HISTIDINE KINASE


(Synechocystis
sp. PCC 6803)
no annotation 5 LEU A 556
GLY A 557
SER A 478
VAL A 452
THR A 448
None
1.41A 4x3mA-5m85A:
undetectable
4x3mA-5m85A:
14.22
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.
5n1x B-CELL LYMPHOMA 6
PROTEIN


(Homo sapiens)
PF00651
(BTB)
5 PRO D  80
LEU D  86
ILE D  78
VAL D 105
THR D 108
None
1.15A 4x3mA-5n1xD:
undetectable
4x3mA-5n1xD:
19.23
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.
5n9j MEDIATOR COMPLEX
SUBUNIT 9
MEDIATOR OF RNA
POLYMERASE II
TRANSCRIPTION
SUBUNIT 4


(Schizosaccharomyces
pombe)
PF10018
(Med4)
no annotation
5 LEU G  57
GLY G  54
GLU F  67
ILE F  76
VAL F  70
None
1.43A 4x3mA-5n9jG:
undetectable
4x3mA-5n9jG:
20.96
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.
5oki DNA POLYMERASE
EPSILON CATALYTIC
SUBUNIT A


(Saccharomyces
cerevisiae)
no annotation 5 LEU A 515
GLY A 511
ILE A 493
MET A 420
THR A 507
None
1.46A 4x3mA-5okiA:
undetectable
4x3mA-5okiA:
14.62
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.
5u09 CANNABINOID RECEPTOR
1,GLGA GLYCOGEN
SYNTHASE


(Homo sapiens;
Pyrococcus
abyssi)
PF00001
(7tm_1)
PF00534
(Glycos_transf_1)
5 PRO A 394
LEU A 138
GLY A 157
SER A 390
VAL A 161
SO4  A1209 (-4.7A)
None
None
7DY  A1210 ( 4.1A)
None
1.45A 4x3mA-5u09A:
4.2
4x3mA-5u09A:
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.
5u7z ACID CERAMIDASE

(Homo sapiens)
no annotation 5 LEU B 307
GLY B 291
ILE B 349
MET B 354
VAL B 316
None
1.15A 4x3mA-5u7zB:
undetectable
4x3mA-5u7zB:
20.95
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.
5ve8 KAP123

(Kluyveromyces
lactis)
no annotation 5 LEU A 853
GLY A 856
ILE A 788
SER A 794
VAL A 860
None
1.45A 4x3mA-5ve8A:
undetectable
4x3mA-5ve8A:
13.71
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.
5y0m -

(-)
no annotation 5 GLY A 199
ILE A 298
MET A 294
VAL A 217
THR A 268
None
1.44A 4x3mA-5y0mA:
undetectable
4x3mA-5y0mA:
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.
5yjp HUMAN CHYMASE

(Homo sapiens)
no annotation 5 PRO A 198
LEU A  33
ILE A 212
VAL A  52
THR A  54
None
1.45A 4x3mA-5yjpA:
undetectable
4x3mA-5yjpA:
15.38
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.
6dft -

(-)
no annotation 5 LEU A 370
GLY A 371
GLU A 431
ILE A 439
VAL A 432
None
NAD  A 502 (-3.8A)
NAD  A 502 (-4.0A)
None
NAD  A 502 (-4.1A)
1.50A 4x3mA-6dftA:
2.5
4x3mA-6dftA:
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.
6eub ANGIOPOIETIN-RELATED
PROTEIN 4


(Homo sapiens)
no annotation 5 LEU A 257
GLY A 258
ILE A 204
SER A 209
VAL A 262
None
1.33A 4x3mA-6eubA:
undetectable
4x3mA-6eubA:
17.07
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.
6f42 DNA-DIRECTED RNA
POLYMERASE III
SUBUNIT RPC1


(Saccharomyces
cerevisiae)
no annotation 5 LEU A 242
GLY A 243
GLU A 240
ILE A 234
SER A 236
None
1.37A 4x3mA-6f42A:
undetectable
4x3mA-6f42A:
14.40