SIMILAR PATTERNS OF AMINO ACIDS FOR 1UPF_A_URFA999_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.
1f56 PLANTACYANIN

(Spinacia
oleracea)
PF02298
(Cu_bind_like)
4 ALA A  14
TYR A   3
ILE A   5
ASP A  23
None
1.21A 1upfA-1f56A:
undetectable
1upfA-1f56A:
14.73
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.
1g29 MALTOSE TRANSPORT
PROTEIN MALK


(Thermococcus
litoralis)
PF00005
(ABC_tran)
PF08402
(TOBE_2)
4 ALA 1 124
TYR 1  99
ILE 1 102
ASP 1 117
None
1.14A 1upfA-1g291:
undetectable
1upfA-1g291:
23.81
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1i5e URACIL
PHOSPHORIBOSYLTRANSF
ERASE


([Bacillus]
caldolyticus)
PF14681
(UPRTase)
5 MET A 133
ALA A 135
TYR A 193
ILE A 194
ASP A 200
U5P  A 250 (-4.7A)
U5P  A 250 (-3.2A)
U5P  A 250 (-4.5A)
U5P  A 250 (-4.4A)
U5P  A 250 (-4.4A)
0.62A 1upfA-1i5eA:
27.6
1upfA-1i5eA:
36.16
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.
1nj8 PROLINE-TRNA
SYNTHETASE


(Methanocaldococcus
jannaschii)
PF00587
(tRNA-synt_2b)
PF03129
(HGTP_anticodon)
PF09181
(ProRS-C_2)
4 ALA A  56
TYR A 125
ILE A 124
ASP A  49
None
1.13A 1upfA-1nj8A:
undetectable
1upfA-1nj8A:
19.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1o5o URACIL
PHOSPHORIBOSYLTRANSF
ERASE


(Thermotoga
maritima)
PF14681
(UPRTase)
5 MET A 133
ALA A 135
TYR A 193
ILE A 194
ASP A 200
U5P  A 600 (-4.5A)
U5P  A 600 (-3.4A)
U5P  A 600 (-4.4A)
U5P  A 600 (-4.0A)
U5P  A 600 (-4.0A)
0.54A 1upfA-1o5oA:
27.4
1upfA-1o5oA:
36.68
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.
1tl7 ADENYLATE CYCLASE,
TYPE V


(Canis lupus)
PF00211
(Guanylate_cyc)
4 ALA A 514
TYR A 443
ILE A 392
ASP A 505
None
FOK  A 101 (-4.4A)
None
FOK  A 101 ( 3.9A)
1.13A 1upfA-1tl7A:
undetectable
1upfA-1tl7A:
22.82
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1v43 SUGAR-BINDING
TRANSPORT
ATP-BINDING PROTEIN


(Pyrococcus
horikoshii)
PF00005
(ABC_tran)
PF08402
(TOBE_2)
4 ALA A 127
TYR A 102
ILE A 105
ASP A 120
None
1.21A 1upfA-1v43A:
undetectable
1upfA-1v43A:
23.16
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1v9s URACIL
PHOSPHORIBOSYLTRANSF
ERASE


(Thermus
thermophilus)
PF14681
(UPRTase)
5 MET A 132
ALA A 134
TYR A 192
ILE A 193
ASP A 199
None
SO4  A 517 (-3.3A)
None
None
SO4  A 514 ( 4.4A)
0.58A 1upfA-1v9sA:
26.9
1upfA-1v9sA:
37.89
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.
1vb3 THREONINE SYNTHASE

(Escherichia
coli)
PF00291
(PALP)
PF14821
(Thr_synth_N)
4 ALA A 259
TYR A 225
ILE A 223
ASP A 252
None
None
None
SO4  A 501 (-4.9A)
1.23A 1upfA-1vb3A:
2.4
1upfA-1vb3A:
19.44
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.
1wcd MAJOR STRUCTURAL
PROTEIN VP2


(Infectious
bursal disease
virus)
PF01766
(Birna_VP2)
4 ALA J 232
TYR J 206
ILE J 308
ASP J 235
None
0.97A 1upfA-1wcdJ:
undetectable
1upfA-1wcdJ:
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.
1wrb DJVLGB

(Dugesia
japonica)
PF00270
(DEAD)
4 ALA A 226
TYR A 395
ILE A 224
ASP A 176
None
1.24A 1upfA-1wrbA:
2.6
1upfA-1wrbA:
23.93
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.
1x0m AMINOTRANSFERASE II
HOMOLOGUE


(Pyrococcus
horikoshii)
PF00155
(Aminotran_1_2)
4 ALA A 254
TYR A 115
ILE A 117
ASP A 237
None
1.26A 1upfA-1x0mA:
2.9
1upfA-1x0mA:
21.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1xtt PROBABLE URACIL
PHOSPHORIBOSYLTRANSF
ERASE


(Sulfolobus
solfataricus)
PF14681
(UPRTase)
5 MET A 142
ALA A 144
TYR A 202
ILE A 203
ASP A 209
U5P  A1250 (-4.5A)
U5P  A1250 (-3.4A)
U5P  A1250 (-4.4A)
U5P  A1250 (-4.1A)
U5P  A1250 (-4.1A)
0.47A 1upfA-1xttA:
23.7
1upfA-1xttA:
34.05
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.
1z0f RAB14, MEMBER RAS
ONCOGENE FAMILY


(Homo sapiens)
PF00071
(Ras)
4 MET A  89
ALA A  87
ILE A 119
ASP A 108
None
1.12A 1upfA-1z0fA:
3.7
1upfA-1z0fA:
23.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1z5v TUBULIN GAMMA-1
CHAIN


(Homo sapiens)
PF00091
(Tubulin)
PF03953
(Tubulin_C)
4 ALA A  55
TYR A  60
ILE A  61
ASP A  49
None
1.12A 1upfA-1z5vA:
3.6
1upfA-1z5vA:
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.
2csg PUTATIVE CYTOPLASMIC
PROTEIN


(Salmonella
enterica)
PF07350
(DUF1479)
4 ALA A 365
TYR A 184
ILE A 182
ASP A 390
None
1.19A 1upfA-2csgA:
undetectable
1upfA-2csgA:
20.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d0d 2-HYDROXY-6-OXO-7-ME
THYLOCTA-2,4-DIENOAT
E HYDROLASE


(Pseudomonas
fluorescens)
PF00561
(Abhydrolase_1)
4 ALA A  91
TYR A  19
ILE A  88
ASP A  21
None
1.25A 1upfA-2d0dA:
undetectable
1upfA-2d0dA:
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.
2d62 MULTIPLE
SUGAR-BINDING
TRANSPORT
ATP-BINDING PROTEIN


(Pyrococcus
horikoshii)
PF00005
(ABC_tran)
PF08402
(TOBE_2)
4 ALA A 127
TYR A 102
ILE A 105
ASP A 120
None
1.19A 1upfA-2d62A:
undetectable
1upfA-2d62A:
22.40
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.
2dk8 DNA-DIRECTED RNA
POLYMERASE III 39
KDA POLYPEPTIDE


(Mus musculus)
PF05158
(RNA_pol_Rpc34)
4 ALA A  50
TYR A  71
ILE A  19
ASP A  32
None
1.15A 1upfA-2dk8A:
undetectable
1upfA-2dk8A:
15.70
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.
2e2d METALLOPROTEINASE
INHIBITOR 2


(Bos taurus)
PF00965
(TIMP)
4 MET C1096
ALA C1090
ILE C1017
ASP C1102
None
1.01A 1upfA-2e2dC:
undetectable
1upfA-2e2dC:
19.47
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2e55 URACIL
PHOSPHORIBOSYLTRANSF
ERASE


(Aquifex
aeolicus)
PF14681
(UPRTase)
4 MET A 130
ALA A 132
TYR A 190
ILE A 191
None
SO4  A1301 (-3.1A)
None
None
0.82A 1upfA-2e55A:
25.8
1upfA-2e55A:
32.34
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2ehj URACIL
PHOSPHORIBOSYLTRANSF
ERASE


(Escherichia
coli)
PF14681
(UPRTase)
5 MET A 132
ALA A 134
TYR A 192
ILE A 193
ASP A 199
None
SO4  A 210 (-3.5A)
None
None
None
0.72A 1upfA-2ehjA:
26.9
1upfA-2ehjA:
33.33
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.
2i0o SER/THR PHOSPHATASE

(Anopheles
gambiae)
PF00481
(PP2C)
4 MET A 570
ALA A 572
ILE A 520
ASP A 553
None
0.86A 1upfA-2i0oA:
undetectable
1upfA-2i0oA:
22.88
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.
2ibu ACETYL-COA
ACETYLTRANSFERASE


(Homo sapiens)
PF00108
(Thiolase_N)
PF02803
(Thiolase_C)
4 MET A 135
ALA A 132
ILE A 122
ASP A 317
None
1.20A 1upfA-2ibuA:
undetectable
1upfA-2ibuA:
20.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2kfk BUD EMERGENCE
PROTEIN 1


(Saccharomyces
cerevisiae)
PF00564
(PB1)
4 ALA A  35
TYR A  12
ILE A  34
ASP A  77
None
1.26A 1upfA-2kfkA:
undetectable
1upfA-2kfkA:
20.50
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.
2n8y ALPHA-ACTININ-1

(Homo sapiens)
PF00036
(EF-hand_1)
PF08726
(EFhand_Ca_insen)
4 MET A 864
ALA A 862
TYR A 859
ILE A 861
None
1.12A 1upfA-2n8yA:
undetectable
1upfA-2n8yA:
21.33
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.
2o52 RAS-RELATED PROTEIN
RAB-4B


(Homo sapiens)
PF00071
(Ras)
4 ALA A  84
TYR A  78
ILE A 114
ASP A 105
None
1.09A 1upfA-2o52A:
3.8
1upfA-2o52A:
25.61
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.
2onk MOLYBDATE/TUNGSTATE
ABC TRANSPORTER,
ATP-BINDING PROTEIN


(Archaeoglobus
fulgidus)
PF00005
(ABC_tran)
4 ALA A 111
TYR A  88
ILE A  91
ASP A 104
None
1.24A 1upfA-2onkA:
undetectable
1upfA-2onkA:
23.55
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2oox HYPOTHETICAL PROTEIN
C1556.08C IN
CHROMOSOME I


(Schizosaccharomyces
pombe)
no annotation 4 MET G 200
ALA G 198
TYR G 232
ILE G 221
None
0.93A 1upfA-2ooxG:
undetectable
1upfA-2ooxG:
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.
2yjp PUTATIVE ABC
TRANSPORTER,
PERIPLASMIC BINDING
PROTEIN, AMINO ACID


(Neisseria
gonorrhoeae)
PF00497
(SBP_bac_3)
4 MET A 254
ALA A 252
ILE A 251
ASP A  84
None
0.84A 1upfA-2yjpA:
undetectable
1upfA-2yjpA:
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.
2yyz SUGAR ABC
TRANSPORTER,
ATP-BINDING PROTEIN


(Thermotoga
maritima)
PF00005
(ABC_tran)
PF08402
(TOBE_2)
4 MET A 198
ALA A 201
ILE A 204
ASP A 219
None
0.82A 1upfA-2yyzA:
undetectable
1upfA-2yyzA:
19.06
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.
2z23 PERIPLASMIC
OLIGOPEPTIDE-BINDING
PROTEIN


(Yersinia pestis)
PF00496
(SBP_bac_5)
4 ALA A  10
TYR A 494
ILE A 515
ASP A 242
None
1.07A 1upfA-2z23A:
undetectable
1upfA-2z23A:
18.20
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.
3ajx 3-HEXULOSE-6-PHOSPHA
TE SYNTHASE


(Mycobacterium
gastri)
PF00215
(OMPdecase)
4 ALA A1188
TYR A1190
ILE A1189
ASP A1008
None
1.21A 1upfA-3ajxA:
undetectable
1upfA-3ajxA:
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.
3am6 RHODOPSIN-2

(Acetabularia
acetabulum)
PF01036
(Bac_rhodopsin)
4 ALA A  12
TYR A  56
ILE A  15
ASP A 207
None
None
None
RET  A 301 ( 4.1A)
1.22A 1upfA-3am6A:
undetectable
1upfA-3am6A:
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.
3aqc COMPONENT B OF
HEXAPRENYL
DIPHOSPHATE SYNTHASE


(Micrococcus
luteus)
PF00348
(polyprenyl_synt)
4 ALA B 286
TYR B 216
ILE B 213
ASP B 230
None
None
None
MG  B 328 ( 3.6A)
1.19A 1upfA-3aqcB:
undetectable
1upfA-3aqcB:
20.30
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.
3bvp TP901-1 INTEGRASE

(Lactococcus
phage TP901-1)
PF00239
(Resolvase)
4 ALA A   6
TYR A   8
ILE A   7
ASP A  47
None
1.26A 1upfA-3bvpA:
undetectable
1upfA-3bvpA:
23.73
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.
3ch0 GLYCEROPHOSPHODIESTE
R PHOSPHODIESTERASE


(Cytophaga
hutchinsonii)
PF03009
(GDPD)
4 MET A 183
ALA A 179
ILE A 136
ASP A 155
None
None
None
EDO  A 280 ( 4.3A)
1.19A 1upfA-3ch0A:
2.0
1upfA-3ch0A:
22.22
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3dmp URACIL
PHOSPHORIBOSYLTRANSF
ERASE


(Burkholderia
pseudomallei)
PF14681
(UPRTase)
5 MET A 137
ALA A 139
TYR A 199
ILE A 200
ASP A 206
None
0.64A 1upfA-3dmpA:
26.1
1upfA-3dmpA:
37.67
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.
3fcr PUTATIVE
AMINOTRANSFERASE


(Ruegeria sp.
TM1040)
PF00202
(Aminotran_3)
4 ALA A 221
TYR A 133
ILE A 130
ASP A 282
None
1.22A 1upfA-3fcrA:
3.2
1upfA-3fcrA:
19.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3h7f SERINE
HYDROXYMETHYLTRANSFE
RASE 1


(Mycobacterium
tuberculosis)
PF00464
(SHMT)
4 ALA A 105
TYR A 243
ILE A 247
ASP A 219
None
1.08A 1upfA-3h7fA:
undetectable
1upfA-3h7fA:
19.65
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.
3hag CAPSID PROTEIN

(Orthohepevirus
A)
PF03014
(SP2)
4 ALA A 339
TYR A 413
ILE A 425
ASP A 422
None
1.13A 1upfA-3hagA:
undetectable
1upfA-3hagA:
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.
3jq0 SUSD SUPERFAMILY
PROTEIN


(Bacteroides
vulgatus)
PF07980
(SusD_RagB)
PF14322
(SusD-like_3)
4 MET A 218
ALA A 214
TYR A 395
ILE A 275
None
1.05A 1upfA-3jq0A:
undetectable
1upfA-3jq0A:
17.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3l22 SUSD SUPERFAMILY
PROTEIN


(Bacteroides
fragilis)
PF07980
(SusD_RagB)
PF14322
(SusD-like_3)
4 MET A 228
ALA A 224
TYR A 350
ILE A 273
None
1.00A 1upfA-3l22A:
undetectable
1upfA-3l22A:
18.22
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.
3mca PROTEIN DOM34

(Schizosaccharomyces
pombe)
PF03463
(eRF1_1)
PF03464
(eRF1_2)
PF03465
(eRF1_3)
4 ALA B 225
TYR B 220
ILE B 221
ASP B 187
None
1.10A 1upfA-3mcaB:
undetectable
1upfA-3mcaB:
21.07
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.
3mwt NUCLEOPROTEIN

(Lassa
mammarenavirus)
PF00843
(Arena_nucleocap)
PF17290
(Arena_ncap_C)
4 MET A 388
ALA A 401
ILE A 400
ASP A 466
None
1.21A 1upfA-3mwtA:
undetectable
1upfA-3mwtA:
19.84
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.
3nrk LIC12922

(Leptospira
interrogans)
PF13145
(Rotamase_2)
PF13624
(SurA_N_3)
4 ALA A  55
TYR A 346
ILE A  54
ASP A  96
None
1.08A 1upfA-3nrkA:
undetectable
1upfA-3nrkA:
22.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3q7b NUCLEOPROTEIN

(Lassa
mammarenavirus)
PF17290
(Arena_ncap_C)
4 MET A 388
ALA A 401
ILE A 400
ASP A 466
None
1.24A 1upfA-3q7bA:
undetectable
1upfA-3q7bA:
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.
3q98 TRANSCARBAMYLASE

(Escherichia
coli)
PF00185
(OTCace)
PF02729
(OTCace_N)
4 MET A 215
TYR A 268
ILE A 191
ASP A 172
None
1.19A 1upfA-3q98A:
undetectable
1upfA-3q98A:
19.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3qpi CHLORITE DISMUTASE

(Nitrobacter
winogradskyi)
PF06778
(Chlor_dismutase)
4 ALA A 124
TYR A 121
ILE A 125
ASP A 157
None
None
HEM  A1001 ( 4.3A)
None
1.11A 1upfA-3qpiA:
undetectable
1upfA-3qpiA:
22.22
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3s6x OUTER CAPSID PROTEIN
SIGMA-1


(Mammalian
orthoreovirus)
PF01664
(Reo_sigma1)
4 MET A 309
ALA A 301
TYR A 298
ILE A 300
None
1.18A 1upfA-3s6xA:
undetectable
1upfA-3s6xA:
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.
3sfz APOPTOTIC PEPTIDASE
ACTIVATING FACTOR 1


(Mus musculus)
PF00400
(WD40)
PF00931
(NB-ARC)
PF12894
(ANAPC4_WD40)
4 ALA A 816
TYR A 845
ILE A 843
ASP A 847
None
1.04A 1upfA-3sfzA:
undetectable
1upfA-3sfzA:
10.57
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.
3uyj LYSINE-SPECIFIC
DEMETHYLASE 8


(Homo sapiens)
PF13621
(Cupin_8)
4 ALA A 230
TYR A 225
ILE A 226
ASP A 288
None
1.14A 1upfA-3uyjA:
undetectable
1upfA-3uyjA:
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.
3vb9 UNCHARACTERIZED
PROTEIN VPA0735


(Vibrio
parahaemolyticus)
PF06742
(DUF1214)
PF06863
(DUF1254)
4 MET A 134
ALA A 132
TYR A 109
ILE A 190
None
MG  A 501 ( 3.8A)
None
None
1.26A 1upfA-3vb9A:
undetectable
1upfA-3vb9A:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ar0 TYPE IV PILUS
BIOGENESIS AND
COMPETENCE PROTEIN
PILQ


(Neisseria
meningitidis)
PF07660
(STN)
4 MET A 370
ALA A 365
ILE A 372
ASP A 392
None
1.24A 1upfA-4ar0A:
undetectable
1upfA-4ar0A:
21.33
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.
4at3 BDNF/NT-3 GROWTH
FACTORS RECEPTOR


(Homo sapiens)
PF07714
(Pkinase_Tyr)
4 MET A 736
TYR A 722
ILE A 733
ASP A 692
None
1.26A 1upfA-4at3A:
undetectable
1upfA-4at3A:
18.90
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.
4aty TEREPHTHALATE
1,2-CIS-DIHYDRODIOL
DEHYDROGENASE


(Paraburkholderia
xenovorans)
PF04166
(PdxA)
4 ALA A 212
TYR A 175
ILE A 307
ASP A 173
None
1.19A 1upfA-4atyA:
undetectable
1upfA-4atyA:
22.86
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.
4b3g DNA-BINDING PROTEIN
SMUBP-2


(Homo sapiens)
PF13086
(AAA_11)
PF13087
(AAA_12)
4 MET A 423
ALA A 427
ILE A 211
ASP A 400
None
1.03A 1upfA-4b3gA:
2.9
1upfA-4b3gA:
16.80
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.
4c1n CARBON MONOXIDE
DEHYDROGENASE
CORRINOID/IRON-SULFU
R PROTEIN, GAMMA
SUBUNIT


(Carboxydothermus
hydrogenoformans)
PF03599
(CdhD)
PF04060
(FeS)
4 ALA A 132
TYR A 182
ILE A 159
ASP A 231
None
1.26A 1upfA-4c1nA:
undetectable
1upfA-4c1nA:
19.60
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.
4d72 GLYCOSIDE HYDROLASE

(Streptococcus
pneumoniae)
PF08306
(Glyco_hydro_98M)
PF08307
(Glyco_hydro_98C)
4 MET A 527
ALA A 524
ILE A 562
ASP A 566
None
FUC  A2007 ( 4.0A)
None
None
1.06A 1upfA-4d72A:
undetectable
1upfA-4d72A:
16.39
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.
4eun THERMORESISTANT
GLUCOKINASE


(Janibacter sp.
HTCC2649)
PF01202
(SKI)
4 MET A  49
ALA A  47
ILE A  46
ASP A  59
None
0.79A 1upfA-4eunA:
undetectable
1upfA-4eunA:
22.35
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.
4g9z NUCLEOPROTEIN

(Lassa
mammarenavirus)
PF17290
(Arena_ncap_C)
4 MET A 388
ALA A 401
ILE A 400
ASP A 466
None
None
None
G  F   6 ( 4.6A)
1.20A 1upfA-4g9zA:
undetectable
1upfA-4g9zA:
23.21
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.
4kcb ARABINAN
ENDO-1,5-ALPHA-L-ARA
BINOSIDASE


(uncultured
bacterium)
PF04616
(Glyco_hydro_43)
4 ALA A 122
TYR A 111
ILE A 123
ASP A 142
None
1.25A 1upfA-4kcbA:
undetectable
1upfA-4kcbA:
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.
4l7t NANU SIALIC ACID
BINDING PROTEIN


(Bacteroides
fragilis)
PF07980
(SusD_RagB)
PF14322
(SusD-like_3)
4 MET A 211
ALA A 207
TYR A 388
ILE A 268
None
1.03A 1upfA-4l7tA:
undetectable
1upfA-4l7tA:
17.30
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.
4lhs UNCHARACTERIZED
PROTEIN


(Bacteroides
ovatus)
PF14606
(Lipase_GDSL_3)
PF14607
(GxDLY)
4 ALA A 353
TYR A 350
ILE A 354
ASP A 243
None
1.22A 1upfA-4lhsA:
undetectable
1upfA-4lhsA:
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.
4luj OROTIDINE
5'-PHOSPHATE
DECARBOXYLASE


(Methanocaldococcus
jannaschii)
PF00215
(OMPdecase)
4 ALA A 213
TYR A 215
ILE A 214
ASP A  29
None
None
None
BMP  A 301 (-2.9A)
1.25A 1upfA-4lujA:
undetectable
1upfA-4lujA:
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.
4mj3 HALOALKANE
DEHALOGENASE


(Mycolicibacterium
rhodesiae)
PF00561
(Abhydrolase_1)
4 ALA A 108
TYR A  38
ILE A  79
ASP A  40
None
1.26A 1upfA-4mj3A:
2.0
1upfA-4mj3A:
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.
4nb0 METALLOTHIOL
TRANSFERASE FOSB


(Staphylococcus
aureus)
PF00903
(Glyoxalase)
4 ALA A  38
TYR A  22
ILE A  19
ASP A 108
None
1.05A 1upfA-4nb0A:
undetectable
1upfA-4nb0A:
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.
4oon PENICILLIN-BINDING
PROTEIN 1A


(Pseudomonas
aeruginosa)
PF00905
(Transpeptidase)
PF00912
(Transgly)
PF17092
(PCB_OB)
4 MET A 267
ALA A 265
TYR A 263
ILE A 264
None
1.00A 1upfA-4oonA:
undetectable
1upfA-4oonA:
16.23
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.
4pe5 GLUTAMATE RECEPTOR
IONOTROPIC, NMDA 2B


(Rattus
norvegicus)
PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd)
4 ALA B 244
TYR B 239
ILE B 240
ASP B 211
None
1.21A 1upfA-4pe5B:
undetectable
1upfA-4pe5B:
14.09
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.
4pfb C4-DICARBOXYLATE-BIN
DING PROTEIN


(Fusobacterium
nucleatum)
PF03480
(DctP)
4 MET A  75
ALA A  79
ILE A 136
ASP A  95
None
1.17A 1upfA-4pfbA:
undetectable
1upfA-4pfbA:
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.
4q6t GLYCOSYL HYDROLASE,
FAMILY 18


(Pseudomonas
protegens)
PF00704
(Glyco_hydro_18)
4 ALA A 136
TYR A  97
ILE A 144
ASP A 206
None
1.02A 1upfA-4q6tA:
undetectable
1upfA-4q6tA:
22.75
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.
4qg5 PUTATIVE
PHOSPHOGLUCOMUTASE


(Leishmania
major)
PF00408
(PGM_PMM_IV)
PF02878
(PGM_PMM_I)
PF02879
(PGM_PMM_II)
PF02880
(PGM_PMM_III)
4 MET A 197
ALA A 194
TYR A 229
ILE A 233
None
1.10A 1upfA-4qg5A:
undetectable
1upfA-4qg5A:
17.00
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.
4tll RECEPTOR SUBUNIT
GLUN2B


(Xenopus laevis)
PF00060
(Lig_chan)
PF01094
(ANF_receptor)
PF10613
(Lig_chan-Glu_bd)
4 ALA B 239
TYR B 234
ILE B 235
ASP B 206
None
1.26A 1upfA-4tllB:
undetectable
1upfA-4tllB:
12.87
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4tq5 PRENYLTRANSFERASE

(Archaeoglobus
fulgidus)
PF01040
(UbiA)
4 ALA A 159
TYR A 139
ILE A 135
ASP A 152
None
0.77A 1upfA-4tq5A:
undetectable
1upfA-4tq5A:
22.01
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.
4udn PERIPLASMIC SOLUTE
BINDING PROTEIN


(Candidatus
Liberibacter
asiaticus)
PF01297
(ZnuA)
4 ALA A 233
TYR A 240
ILE A 218
ASP A 226
None
1.16A 1upfA-4udnA:
undetectable
1upfA-4udnA:
23.44
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.
4wn9 NITROGENASE
MOLYBDENUM-IRON
PROTEIN ALPHA CHAIN


(Clostridium
pasteurianum)
PF00148
(Oxidored_nitro)
4 MET A 272
ALA A 270
TYR A 268
ILE A 269
None
1.15A 1upfA-4wn9A:
undetectable
1upfA-4wn9A:
17.93
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.
4yn1 FUSOLIN

(Anomala cuprea
entomopoxvirus)
PF03067
(LPMO_10)
4 MET A  33
ALA A  37
ILE A 113
ASP A 230
EDO  A 405 ( 3.5A)
None
None
None
1.14A 1upfA-4yn1A:
undetectable
1upfA-4yn1A:
18.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5aoc ESTERASE

(Thermogutta
terrifontis)
PF07859
(Abhydrolase_3)
4 MET A  75
ALA A  71
TYR A  69
ASP A 269
None
None
EDO  A1292 (-4.1A)
None
0.95A 1upfA-5aocA:
2.5
1upfA-5aocA:
21.05
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.
5aoc ESTERASE

(Thermogutta
terrifontis)
PF07859
(Abhydrolase_3)
4 MET A  75
ALA A  77
ILE A  47
ASP A 269
None
1.23A 1upfA-5aocA:
2.5
1upfA-5aocA:
21.05
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.
5awp ISOMALTODEXTRANASE

(Arthrobacter
globiformis)
no annotation 4 MET A 314
ALA A 342
TYR A  36
ILE A 341
None
1.02A 1upfA-5awpA:
undetectable
1upfA-5awpA:
15.80
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.
5d7z LACTOYLGLUTATHIONE
LYASE


(Zea mays)
PF00903
(Glyoxalase)
4 ALA A  64
TYR A  42
ILE A  39
ASP A 137
None
1.19A 1upfA-5d7zA:
undetectable
1upfA-5d7zA:
20.20
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.
5d7z LACTOYLGLUTATHIONE
LYASE


(Zea mays)
PF00903
(Glyoxalase)
4 ALA A 194
TYR A 172
ILE A 169
ASP A 271
None
1.13A 1upfA-5d7zA:
undetectable
1upfA-5d7zA:
20.20
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5e38 URACIL
PHOSPHORIBOSYLTRANSF
ERASE


(Mycobacterium
tuberculosis)
PF14681
(UPRTase)
5 MET A 131
ALA A 133
TYR A 191
ILE A 192
ASP A 198
None
0.59A 1upfA-5e38A:
25.0
1upfA-5e38A:
33.93
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.
5e9u GLYCOSYLTRANSFERASE-
STABILIZING PROTEIN
GTF2


(Streptococcus
gordonii)
no annotation 4 ALA B 370
TYR B 389
ILE B 377
ASP B 386
None
0.99A 1upfA-5e9uB:
undetectable
1upfA-5e9uB:
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.
5f6q METALLOTHIOL
TRANSFERASE FOSB 2


(Bacillus
anthracis)
PF00903
(Glyoxalase)
4 ALA A  38
TYR A  22
ILE A  19
ASP A 108
None
1.09A 1upfA-5f6qA:
undetectable
1upfA-5f6qA:
23.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f75 THIOCYANATE
DEHYDROGENASE


(Thioalkalivibrio
paradoxus)
no annotation 4 ALA A 466
TYR A 448
ILE A 464
ASP A 515
None
1.03A 1upfA-5f75A:
undetectable
1upfA-5f75A:
16.00
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.
5jh8 PROBABLE CHITINASE

(Chromobacterium
violaceum)
PF00704
(Glyco_hydro_18)
4 ALA A  98
TYR A  62
ILE A 106
ASP A 169
None
MLZ  A 138 ( 4.1A)
None
MLZ  A 138 ( 2.7A)
1.05A 1upfA-5jh8A:
undetectable
1upfA-5jh8A:
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.
5jh8 PROBABLE CHITINASE

(Chromobacterium
violaceum)
PF00704
(Glyco_hydro_18)
4 ALA A 207
TYR A 287
ILE A 210
ASP A 199
None
1.23A 1upfA-5jh8A:
undetectable
1upfA-5jh8A:
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.
5ks7 CARNITINE TRANSPORT
ATP-BINDING PROTEIN
OPUCA


(Listeria
monocytogenes)
PF00571
(CBS)
4 MET A 275
ALA A 271
ILE A 272
ASP A 297
None
1.22A 1upfA-5ks7A:
undetectable
1upfA-5ks7A:
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.
5m59 PRE-MRNA SPLICING
HELICASE-LIKE
PROTEIN


(Chaetomium
thermophilum)
PF00270
(DEAD)
PF00271
(Helicase_C)
PF02889
(Sec63)
4 ALA A 792
TYR A 787
ILE A 788
ASP A 754
None
1.21A 1upfA-5m59A:
3.3
1upfA-5m59A:
8.66
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.
5oex -

(-)
no annotation 4 ALA A 466
TYR A 448
ILE A 464
ASP A 515
None
1.06A 1upfA-5oexA:
undetectable
1upfA-5oexA:
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.
5t8v PUTATIVE
UNCHARACTERIZED
PROTEIN


(Chaetomium
thermophilum)
PF12765
(Cohesin_HEAT)
PF12830
(Nipped-B_C)
4 ALA A 950
TYR A 932
ILE A 928
ASP A 943
None
1.25A 1upfA-5t8vA:
undetectable
1upfA-5t8vA:
10.06
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.
5t8y EPOXYQUEUOSINE
REDUCTASE


(Bacillus
subtilis)
PF08331
(DUF1730)
PF13484
(Fer4_16)
PF13646
(HEAT_2)
4 MET A 172
ALA A 170
ILE A  73
ASP A 114
None
1.08A 1upfA-5t8yA:
undetectable
1upfA-5t8yA:
20.45
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5u2a AMP-DEPENDENT
SYNTHETASE AND
LIGASE


(Brucella canis)
PF00501
(AMP-binding)
PF13193
(AMP-binding_C)
4 ALA A 370
TYR A 372
ILE A 439
ASP A 436
None
1.10A 1upfA-5u2aA:
undetectable
1upfA-5u2aA:
19.10
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.
5ua5 5-HL

(African swine
fever virus)
PF00452
(Bcl-2)
4 ALA A  98
TYR A  23
ILE A  20
ASP A  47
None
1.15A 1upfA-5ua5A:
undetectable
1upfA-5ua5A:
17.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5van BETA-KLOTHO

(Homo sapiens)
no annotation 4 ALA A 791
TYR A 789
ILE A 790
ASP A 846
None
1.22A 1upfA-5vanA:
2.0
1upfA-5vanA:
13.49
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.
5wgg RADICAL SAM DOMAIN
PROTEIN


(Ruminiclostridium
thermocellum)
PF04055
(Radical_SAM)
PF13186
(SPASM)
PF13353
(Fer4_12)
4 ALA A  61
TYR A  53
ILE A  33
ASP A  28
None
None
None
CA  A 505 (-2.3A)
1.22A 1upfA-5wggA:
undetectable
1upfA-5wggA:
19.08
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.
5wy3 PUTATIVE
UNCHARACTERIZED
PROTEIN


(Chaetomium
thermophilum)
no annotation 4 MET A 346
ALA A 344
ILE A 343
ASP A 310
None
0.97A 1upfA-5wy3A:
undetectable
1upfA-5wy3A:
19.85
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.
5x5t ALPHA-KETOGLUTARIC
SEMIALDEHYDE
DEHYDROGENASE


(Azospirillum
brasilense)
PF00171
(Aldedh)
4 MET A  74
ALA A  78
ILE A 114
ASP A 119
None
1.00A 1upfA-5x5tA:
undetectable
1upfA-5x5tA:
17.30