SIMILAR PATTERNS OF AMINO ACIDS FOR 4XUD_A_SAMA303_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.
1bg7 FERRITIN

(Rana
catesbeiana)
PF00210
(Ferritin)
3 SER A  32
GLU A  85
ASP A  87
None
0.86A 4xudA-1bg7A:
undetectable
4xudA-1bg7A:
21.46
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1bl5 ISOCITRATE
DEHYDROGENASE


(Escherichia
coli)
PF00180
(Iso_dh)
3 SER A 310
GLU A 336
ASP A 307
None
AKG  A   1 ( 4.6A)
MG  A 418 (-3.1A)
0.68A 4xudA-1bl5A:
undetectable
4xudA-1bl5A:
19.29
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.
1c8m HUMAN RHINOVIRUS 16
COAT PROTEIN


(Rhinovirus A)
PF00073
(Rhv)
3 SER 2  60
GLU 2 250
ASP 2  57
None
0.84A 4xudA-1c8m2:
undetectable
4xudA-1c8m2:
19.25
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.
1i8d RIBOFLAVIN SYNTHASE

(Escherichia
coli)
PF00677
(Lum_binding)
3 SER A  14
GLU A  53
ASP A  16
None
0.72A 4xudA-1i8dA:
undetectable
4xudA-1i8dA:
23.39
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.
1kq3 GLYCEROL
DEHYDROGENASE


(Thermotoga
maritima)
PF00465
(Fe-ADH)
3 SER A 239
GLU A 176
ASP A 169
CL  A 501 (-3.6A)
None
ZN  A 401 (-2.4A)
0.70A 4xudA-1kq3A:
2.8
4xudA-1kq3A:
20.26
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.
1lvg GUANYLATE KINASE

(Mus musculus)
PF00625
(Guanylate_kin)
3 SER A  10
GLU A 157
ASP A 103
None
None
5GP  A1202 (-3.8A)
0.77A 4xudA-1lvgA:
undetectable
4xudA-1lvgA:
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.
1lwd ISOCITRATE
DEHYDROGENASE


(Sus scrofa)
PF00180
(Iso_dh)
3 SER A 278
GLU A 306
ASP A 275
None
ICT  A 701 ( 4.2A)
MN  A 501 (-2.8A)
0.66A 4xudA-1lwdA:
2.2
4xudA-1lwdA:
20.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1r03 MITOCHONDRIAL
FERRITIN


(Homo sapiens)
PF00210
(Ferritin)
3 SER A  36
GLU A  89
ASP A  91
None
0.73A 4xudA-1r03A:
undetectable
4xudA-1r03A:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1si8 CATALASE

(Enterococcus
faecalis)
PF00199
(Catalase)
PF06628
(Catalase-rel)
3 SER A 166
GLU A 450
ASP A 163
None
0.86A 4xudA-1si8A:
undetectable
4xudA-1si8A:
18.32
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.
1tll NITRIC-OXIDE
SYNTHASE, BRAIN


(Rattus
norvegicus)
PF00175
(NAD_binding_1)
PF00258
(Flavodoxin_1)
PF00667
(FAD_binding_1)
3 SER A1412
GLU A1136
ASP A 918
None
0.74A 4xudA-1tllA:
5.5
4xudA-1tllA:
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.
1tvc METHANE
MONOOXYGENASE
COMPONENT C


(Methylococcus
capsulatus)
PF00175
(NAD_binding_1)
PF00970
(FAD_binding_6)
3 SER A 248
GLU A 160
ASP A 189
None
FDA  A 252 (-3.2A)
FDA  A 252 ( 4.2A)
0.78A 4xudA-1tvcA:
4.0
4xudA-1tvcA:
20.93
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.
1ua7 ALPHA-AMYLASE

(Bacillus
subtilis)
PF00128
(Alpha-amylase)
3 SER A 327
GLU A 266
ASP A 283
None
0.78A 4xudA-1ua7A:
undetectable
4xudA-1ua7A:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vlu GAMMA-GLUTAMYL
PHOSPHATE REDUCTASE


(Saccharomyces
cerevisiae)
PF00171
(Aldedh)
3 SER A   2
GLU A 197
ASP A 191
None
0.85A 4xudA-1vluA:
4.2
4xudA-1vluA:
19.59
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.
1xkn PUTATIVE
PEPTIDYL-ARGININE
DEIMINASE


(Chlorobaculum
tepidum)
PF04371
(PAD_porph)
3 SER A  48
GLU A  81
ASP A  74
None
0.82A 4xudA-1xknA:
2.1
4xudA-1xknA:
20.67
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.
1zxq INTERCELLULAR
ADHESION MOLECULE-2


(Homo sapiens)
PF03921
(ICAM_N)
3 SER A 153
GLU A 130
ASP A 156
None
0.84A 4xudA-1zxqA:
undetectable
4xudA-1zxqA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2a3n PUTATIVE
GLUCOSAMINE-FRUCTOSE
-6-PHOSPHATE
AMINOTRANSFERASE


(Salmonella
enterica)
PF01380
(SIS)
3 SER A  98
GLU A 105
ASP A 102
None
0.67A 4xudA-2a3nA:
2.0
4xudA-2a3nA:
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.
2avd CATECHOL-O-METHYLTRA
NSFERASE


(Homo sapiens)
PF01596
(Methyltransf_3)
3 SER A 116
GLU A 134
ASP A 185
SAM  A 501 (-3.0A)
SAM  A 501 (-2.9A)
SAM  A 501 (-3.4A)
0.19A 4xudA-2avdA:
20.7
4xudA-2avdA:
22.36
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.
2b39 C3

(Bos taurus)
PF00207
(A2M)
PF01759
(NTR)
PF01821
(ANATO)
PF01835
(A2M_N)
PF07677
(A2M_recep)
PF07678
(A2M_comp)
PF07703
(A2M_N_2)
PF10569
(Thiol-ester_cl)
3 SER A 797
GLU A 767
ASP A 597
None
0.85A 4xudA-2b39A:
undetectable
4xudA-2b39A:
8.92
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.
2cgj L-RHAMNULOSE KINASE

(Escherichia
coli)
PF00370
(FGGY_N)
PF02782
(FGGY_C)
3 SER A 256
GLU A 427
ASP A 237
None
None
LFR  A1481 (-3.0A)
0.70A 4xudA-2cgjA:
undetectable
4xudA-2cgjA:
17.28
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.
2d1c ISOCITRATE
DEHYDROGENASE


(Thermus
thermophilus)
PF00180
(Iso_dh)
3 SER A 251
GLU A 277
ASP A 248
None
NAP  A1002 (-3.5A)
CIT  A1585 (-3.2A)
0.80A 4xudA-2d1cA:
2.5
4xudA-2d1cA:
19.20
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.
2gah HETEROTETRAMERIC
SARCOSINE OXIDASE
ALPHA-SUBUNIT


(Stenotrophomonas
maltophilia)
PF01571
(GCV_T)
PF07992
(Pyr_redox_2)
PF08669
(GCV_T_C)
PF13510
(Fer2_4)
3 SER A   2
GLU A 371
ASP A 345
None
0.84A 4xudA-2gahA:
undetectable
4xudA-2gahA:
13.74
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.
2hak SERINE/THREONINE-PRO
TEIN KINASE MARK1


(Homo sapiens)
PF00069
(Pkinase)
PF00627
(UBA)
3 SER A 235
GLU A 230
ASP A 175
None
0.84A 4xudA-2hakA:
undetectable
4xudA-2hakA:
23.05
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.
2o2v DUAL SPECIFICITY
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE 5
MITOGEN-ACTIVATED
PROTEIN KINASE
KINASE KINASE 3


(Homo sapiens;
Homo sapiens)
PF00564
(PB1)
PF00564
(PB1)
3 SER B 115
GLU B  50
ASP A  66
None
0.76A 4xudA-2o2vB:
undetectable
4xudA-2o2vB:
19.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ojh UNCHARACTERIZED
PROTEIN
ATU1656/AGR_C_3050


(Agrobacterium
fabrum)
PF07676
(PD40)
3 SER A 274
GLU A  43
ASP A  87
None
0.81A 4xudA-2ojhA:
undetectable
4xudA-2ojhA:
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.
2oo3 PROTEIN INVOLVED IN
CATABOLISM OF
EXTERNAL DNA


(Legionella
pneumophila)
PF04378
(RsmJ)
3 SER A 101
GLU A 119
ASP A 165
None
0.25A 4xudA-2oo3A:
9.4
4xudA-2oo3A:
18.15
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.
2pqf POLY [ADP-RIBOSE]
POLYMERASE 12


(Homo sapiens)
PF00644
(PARP)
3 SER A 595
GLU A 665
ASP A 580
CIT  A 801 ( 4.9A)
None
None
0.83A 4xudA-2pqfA:
undetectable
4xudA-2pqfA:
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.
2qa2 POLYKETIDE OXYGENASE
CABE


(Streptomyces)
PF01494
(FAD_binding_3)
3 SER A 291
GLU A 100
ASP A 275
FAD  A 500 ( 3.8A)
FAD  A 500 ( 4.9A)
FAD  A 500 (-3.1A)
0.70A 4xudA-2qa2A:
2.5
4xudA-2qa2A:
20.44
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ral SERINE-ASPARTATE
REPEAT-CONTAINING
PROTEIN G


(Staphylococcus
epidermidis)
PF10425
(SdrG_C_C)
3 SER A 535
GLU A 510
ASP A 493
None
0.85A 4xudA-2ralA:
undetectable
4xudA-2ralA:
18.26
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.
2wnp FICOLIN-1

(Homo sapiens)
PF00147
(Fibrinogen_C)
3 SER F 100
GLU F 291
ASP F 120
None
0.83A 4xudA-2wnpF:
undetectable
4xudA-2wnpF:
19.58
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.
2yd0 ENDOPLASMIC
RETICULUM
AMINOPEPTIDASE 1


(Homo sapiens)
PF01433
(Peptidase_M1)
PF11838
(ERAP1_C)
3 SER A 723
GLU A 667
ASP A 398
None
0.74A 4xudA-2yd0A:
undetectable
4xudA-2yd0A:
13.87
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.
2zii VACUOLAR PROTEIN
SORTING-ASSOCIATED
PROTEIN 74


(Saccharomyces
cerevisiae)
PF05719
(GPP34)
3 SER A 282
GLU A 266
ASP A 278
None
0.86A 4xudA-2ziiA:
undetectable
4xudA-2ziiA:
19.39
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.
3a45 FORMAMIDOPYRIMIDINE-
DNA GLYCOSYLASE


(Acanthamoeba
polyphaga
mimivirus)
PF01149
(Fapy_DNA_glyco)
PF06831
(H2TH)
3 SER A 101
GLU A  92
ASP A  27
None
0.83A 4xudA-3a45A:
undetectable
4xudA-3a45A:
20.33
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3abi PUTATIVE
UNCHARACTERIZED
PROTEIN PH1688


(Pyrococcus
horikoshii)
PF03435
(Sacchrp_dh_NADP)
PF16653
(Sacchrp_dh_C)
3 SER A 210
GLU A 222
ASP A 115
None
0.83A 4xudA-3abiA:
undetectable
4xudA-3abiA:
20.43
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3bwm CATECHOL
O-METHYLTRANSFERASE


(Homo sapiens)
PF01596
(Methyltransf_3)
3 SER A  72
GLU A  90
ASP A 141
SAM  A 301 (-2.9A)
SAM  A 301 (-2.8A)
MG  A 300 (-2.4A)
0.11A 4xudA-3bwmA:
40.6
4xudA-3bwmA:
100.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3cvo METHYLTRANSFERASE-LI
KE PROTEIN OF
UNKNOWN FUNCTION


(Ruegeria
pomeroyi)
no annotation 3 SER A  41
GLU A  57
ASP A 128
None
0.28A 4xudA-3cvoA:
13.5
4xudA-3cvoA:
22.89
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.
3d45 POLY(A)-SPECIFIC
RIBONUCLEASE PARN


(Mus musculus)
PF01424
(R3H)
PF04857
(CAF1)
PF08675
(RNA_bind)
3 SER A 385
GLU A 345
ASP A 349
None
0.85A 4xudA-3d45A:
undetectable
4xudA-3d45A:
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.
3eeq PUTATIVE COBALAMIN
BIOSYNTHESIS PROTEIN
G HOMOLOG


(Sulfolobus
solfataricus)
PF01890
(CbiG_C)
PF11760
(CbiG_N)
3 SER A 222
GLU A 229
ASP A 225
None
0.80A 4xudA-3eeqA:
3.6
4xudA-3eeqA:
21.58
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.
3egc PUTATIVE RIBOSE
OPERON REPRESSOR


(Burkholderia
thailandensis)
PF00532
(Peripla_BP_1)
3 SER A 279
GLU A 258
ASP A 281
None
0.84A 4xudA-3egcA:
5.0
4xudA-3egcA:
23.08
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.
3eo7 PUTATIVE
NITROREDUCTASE


(Trichormus
variabilis)
PF00881
(Nitroreductase)
3 SER A 366
GLU A 327
ASP A 203
ACT  A 707 (-3.6A)
None
ACT  A 707 (-3.2A)
0.82A 4xudA-3eo7A:
undetectable
4xudA-3eo7A:
18.57
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.
3h2x TYROSINE-PROTEIN
PHOSPHATASE
NON-RECEPTOR TYPE 22


(Homo sapiens)
PF00102
(Y_phosphatase)
3 SER A 201
GLU A 280
ASP A 197
None
0.74A 4xudA-3h2xA:
undetectable
4xudA-3h2xA:
22.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3iv0 SUSD HOMOLOG

(Bacteroides
thetaiotaomicron)
PF07980
(SusD_RagB)
PF14322
(SusD-like_3)
3 SER A 211
GLU A 289
ASP A 284
None
0.70A 4xudA-3iv0A:
undetectable
4xudA-3iv0A:
16.77
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.
3ldt OUTER MEMBRANE
PROTEIN, OMPA FAMILY
PROTEIN


(Legionella
pneumophila)
PF00691
(OmpA)
3 SER A 182
GLU A 230
ASP A 170
None
0.85A 4xudA-3ldtA:
undetectable
4xudA-3ldtA:
22.02
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.
3le1 PHOSPHOTRANSFERASE
SYSTEM, HPR-RELATED
PROTEINS


(Caldanaerobacter
subterraneus)
PF00381
(PTS-HPr)
3 SER A  31
GLU A  72
ASP A  68
None
0.72A 4xudA-3le1A:
undetectable
4xudA-3le1A:
16.59
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.
3mc2 INHIBITOR OF
CARBONIC ANHYDRASE


(Mus musculus)
PF00405
(Transferrin)
3 SER A 626
GLU A 551
ASP A 630
None
0.83A 4xudA-3mc2A:
undetectable
4xudA-3mc2A:
17.75
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.
3oa2 WBPB

(Pseudomonas
aeruginosa)
PF01408
(GFO_IDH_MocA)
PF02894
(GFO_IDH_MocA_C)
3 SER A 178
GLU A 210
ASP A 174
None
0.86A 4xudA-3oa2A:
5.0
4xudA-3oa2A:
22.15
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.
3pgb PUTATIVE
UNCHARACTERIZED
PROTEIN


(Aspergillus
nidulans)
PF01179
(Cu_amine_oxid)
PF09248
(DUF1965)
3 SER A 270
GLU A 334
ASP A 265
None
0.67A 4xudA-3pgbA:
undetectable
4xudA-3pgbA:
14.18
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.
3qml NUCLEOTIDE EXCHANGE
FACTOR SIL1


(Saccharomyces
cerevisiae)
PF16782
(SIL1)
3 SER C 139
GLU C 132
ASP C 147
None
0.85A 4xudA-3qmlC:
undetectable
4xudA-3qmlC:
21.67
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.
3rst SIGNAL PEPTIDE
PEPTIDASE SPPA


(Bacillus
subtilis)
PF01343
(Peptidase_S49)
3 SER A 205
GLU A 191
ASP A 200
None
0.82A 4xudA-3rstA:
undetectable
4xudA-3rstA:
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.
3se4 INTERFERON OMEGA-1

(Homo sapiens)
PF00143
(Interferon)
3 SER B 139
GLU B 135
ASP B  34
None
0.85A 4xudA-3se4B:
undetectable
4xudA-3se4B:
21.70
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.
3tmg GLYCINE BETAINE,
L-PROLINE ABC
TRANSPORTER,
GLYCINE/BETAINE/L-PR
OLINE-BINDING
PROTEIN (PROX)


(Borreliella
burgdorferi)
PF04069
(OpuAC)
3 SER A  81
GLU A  92
ASP A 100
None
0.76A 4xudA-3tmgA:
undetectable
4xudA-3tmgA:
24.38
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.
3us8 ISOCITRATE
DEHYDROGENASE [NADP]


(Sinorhizobium
meliloti)
PF00180
(Iso_dh)
3 SER A 276
GLU A 304
ASP A 273
None
0.74A 4xudA-3us8A:
undetectable
4xudA-3us8A:
20.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3w5f BETA-GALACTOSIDASE

(Solanum
lycopersicum)
PF01301
(Glyco_hydro_35)
3 SER A 542
GLU A 456
ASP A 463
None
0.86A 4xudA-3w5fA:
undetectable
4xudA-3w5fA:
14.75
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.
3wcy INTERFERON
ALPHA/BETA RECEPTOR
1


(Mus musculus)
PF01108
(Tissue_fac)
PF09294
(Interfer-bind)
3 SER A 245
GLU A 106
ASP A 126
None
0.82A 4xudA-3wcyA:
undetectable
4xudA-3wcyA:
19.75
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.
3x1l CMR4

(Archaeoglobus
fulgidus)
PF03787
(RAMPs)
3 SER C  15
GLU C 260
ASP C 288
None
0.76A 4xudA-3x1lC:
undetectable
4xudA-3x1lC:
23.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a0l CULLIN-4B

(Homo sapiens)
PF00888
(Cullin)
PF10557
(Cullin_Nedd8)
3 SER E 282
GLU E 355
ASP E 348
None
0.83A 4xudA-4a0lE:
undetectable
4xudA-4a0lE:
15.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ag4 EPITHELIAL DISCOIDIN
DOMAIN-CONTAINING
RECEPTOR 1


(Homo sapiens)
PF00754
(F5_F8_type_C)
3 SER A  54
GLU A 113
ASP A  70
None
0.79A 4xudA-4ag4A:
undetectable
4xudA-4ag4A:
19.02
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.
4aov ISOCITRATE
DEHYDROGENASE [NADP]


(Desulfotalea
psychrophila)
PF00180
(Iso_dh)
3 SER A 275
GLU A 302
ASP A 272
None
ICT  A1404 ( 4.3A)
MG  A1405 ( 2.8A)
0.75A 4xudA-4aovA:
undetectable
4xudA-4aovA:
20.15
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.
4bl3 PENICILLIN BINDING
PROTEIN 2 PRIME


(Staphylococcus
aureus)
PF00905
(Transpeptidase)
PF03717
(PBP_dimer)
PF05223
(MecA_N)
3 SER A 476
GLU A 523
ASP A 509
None
0.79A 4xudA-4bl3A:
undetectable
4xudA-4bl3A:
15.01
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.
4blu RIBOSOMAL RNA LARGE
SUBUNIT
METHYLTRANSFERASE J


(Escherichia
coli)
PF04378
(RsmJ)
3 SER A 100
GLU A 118
ASP A 164
None
None
TRS  A1281 ( 3.0A)
0.72A 4xudA-4bluA:
11.8
4xudA-4bluA:
22.26
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.
4ds2 UBIQUITIN-CONJUGATIN
G ENZYME E2,
PUTATIVE


(Trypanosoma
cruzi)
PF00179
(UQ_con)
3 SER A 117
GLU A  18
ASP A  12
None
0.77A 4xudA-4ds2A:
undetectable
4xudA-4ds2A:
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.
4fx5 VON WILLEBRAND
FACTOR TYPE A


(Catenulispora
acidiphila)
PF13768
(VWA_3)
3 SER A  65
GLU A 168
ASP A 196
NA  A 501 (-2.2A)
None
None
0.80A 4xudA-4fx5A:
undetectable
4xudA-4fx5A:
18.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h0p ACETATE KINASE

(Cryptococcus
neoformans)
PF00871
(Acetate_kinase)
3 SER A 198
GLU A 364
ASP A 415
None
0.84A 4xudA-4h0pA:
undetectable
4xudA-4h0pA:
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.
4hum PROTEIN B

(Escherichia
coli)
PF00041
(fn3)
3 SER B  55
GLU B   9
ASP B  23
None
0.69A 4xudA-4humB:
undetectable
4xudA-4humB:
17.77
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.
4ihc MANDELATE
RACEMASE/MUCONATE
LACTONIZING PROTEIN


(Dickeya
paradisiaca)
PF02746
(MR_MLE_N)
PF13378
(MR_MLE_C)
3 SER A 272
GLU A 352
ASP A 250
None
FMT  A 503 (-3.2A)
MG  A 501 ( 4.8A)
0.76A 4xudA-4ihcA:
undetectable
4xudA-4ihcA:
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.
4j0k TANNASE

(Lactobacillus
plantarum)
no annotation 3 SER A 163
GLU A 357
ASP A 421
EGR  A 501 (-2.6A)
EGR  A 501 (-2.9A)
EGR  A 501 (-3.5A)
0.83A 4xudA-4j0kA:
2.0
4xudA-4j0kA:
18.86
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.
4je5 AROMATIC/AMINOADIPAT
E AMINOTRANSFERASE 1


(Saccharomyces
cerevisiae)
PF00155
(Aminotran_1_2)
3 SER A 169
GLU A 162
ASP A 248
None
None
PLP  A 601 (-2.8A)
0.84A 4xudA-4je5A:
4.8
4xudA-4je5A:
18.75
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.
4kr8 OUTER MEMBRANE
PROTEIN F


(Salmonella
enterica)
PF00267
(Porin_1)
3 SER A  73
GLU A  69
ASP A  64
None
0.86A 4xudA-4kr8A:
undetectable
4xudA-4kr8A:
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.
4kwb SIGNAL PEPTIDE
PEPTIDASE SPPA


(Bacillus
subtilis)
PF01343
(Peptidase_S49)
3 SER A 205
GLU A 191
ASP A 200
None
0.84A 4xudA-4kwbA:
undetectable
4xudA-4kwbA:
21.01
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4n4r LPS-ASSEMBLY PROTEIN
LPTD


(Salmonella
enterica)
PF04453
(OstA_C)
3 SER A 692
GLU A 773
ASP A 651
None
0.61A 4xudA-4n4rA:
undetectable
4xudA-4n4rA:
14.32
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.
4oh1 L-IDITOL
2-DEHYDROGENASE


([Clostridium]
scindens)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 SER A 224
GLU A 246
ASP A 204
None
0.82A 4xudA-4oh1A:
3.8
4xudA-4oh1A:
18.72
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4p47 TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT


(Ochrobactrum
anthropi)
PF03480
(DctP)
3 SER A 177
GLU A 212
ASP A 109
None
0.74A 4xudA-4p47A:
undetectable
4xudA-4p47A:
19.78
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4p58 CATECHOL
O-METHYLTRANSFERASE


(Mus musculus)
PF01596
(Methyltransf_3)
3 SER A 115
GLU A 133
ASP A 184
None
2F6  A 301 (-2.7A)
None
0.75A 4xudA-4p58A:
33.2
4xudA-4p58A:
81.60
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.
4pav GLYOXALASE FAMILY
PROTEIN


(Staphylococcus
aureus)
PF00903
(Glyoxalase)
3 SER A  17
GLU A  52
ASP A 116
None
0.83A 4xudA-4pavA:
undetectable
4xudA-4pavA:
19.63
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.
4pcl O-METHYLTRANSFERASE
FAMILY PROTEIN


(Anaplasma
phagocytophilum)
PF01596
(Methyltransf_3)
3 SER A  70
GLU A  88
ASP A 136
SAM  A 301 (-2.9A)
SAM  A 301 (-2.6A)
MN  A 303 ( 2.7A)
0.07A 4xudA-4pclA:
22.7
4xudA-4pclA:
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.
4qnl TAIL FIBER PROTEIN

(Escherichia
virus G7C)
no annotation 3 SER A 569
GLU A 704
ASP A 669
None
0.68A 4xudA-4qnlA:
3.9
4xudA-4qnlA:
13.05
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.
4uek GALACTITOL-1-PHOSPHA
TE 5-DEHYDROGENASE


(Escherichia
coli)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 SER A 212
GLU A 235
ASP A 192
None
0.81A 4xudA-4uekA:
6.6
4xudA-4uekA:
19.71
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.
4xeq TRAP DICARBOXYLATE
TRANSPORTER, DCTP
SUBUNIT


(Desulfovibrio
vulgaris)
PF03480
(DctP)
3 SER A 185
GLU A 219
ASP A 117
None
0.71A 4xudA-4xeqA:
2.2
4xudA-4xeqA:
21.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xk8 PUTATIVE
UNCHARACTERIZED
PROTEIN


(Pisum sativum)
PF02605
(PsaL)
3 SER L 109
GLU L 122
ASP L 124
None
0.83A 4xudA-4xk8L:
undetectable
4xudA-4xk8L:
19.30
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.
4y1p 3-ISOPROPYLMALATE
DEHYDROGENASE


(Sulfolobus
acidocaldarius)
PF00180
(Iso_dh)
3 SER A 228
GLU A 254
ASP A 225
None
IPM  A 402 ( 4.5A)
MG  A 401 ( 2.7A)
0.60A 4xudA-4y1pA:
undetectable
4xudA-4y1pA:
20.06
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.
4yj1 UNCHARACTERIZED
PROTEIN


(Trypanosoma
brucei)
PF09818
(ABC_ATPase)
3 SER A 320
GLU A 556
ASP A 411
ADP  A 701 ( 2.4A)
None
MG  A 702 ( 4.2A)
0.75A 4xudA-4yj1A:
undetectable
4xudA-4yj1A:
17.99
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.
4ymg PUTATIVE
SAM-DEPENDENT
O-METHYLTRANFERASE


(Podospora
anserina)
PF01596
(Methyltransf_3)
3 SER A  79
GLU A  98
ASP A 144
SAM  A1001 (-2.7A)
SAM  A1001 (-2.7A)
SAM  A1001 (-3.6A)
0.12A 4xudA-4ymgA:
20.8
4xudA-4ymgA:
26.88
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.
4zht BIFUNCTIONAL
UDP-N-ACETYLGLUCOSAM
INE
2-EPIMERASE/N-ACETYL
MANNOSAMINE KINASE


(Homo sapiens)
PF02350
(Epimerase_2)
3 SER A 229
GLU A  81
ASP A 225
None
0.82A 4xudA-4zhtA:
2.2
4xudA-4zhtA:
19.80
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.
5a22 VESICULAR STOMATITIS
VIRUS L POLYMERASE


(Vesicular
stomatitis
virus)
PF00946
(Mononeg_RNA_pol)
PF14314
(Methyltrans_Mon)
PF14318
(Mononeg_mRNAcap)
3 SER A1323
GLU A 995
ASP A 987
None
0.76A 4xudA-5a22A:
11.1
4xudA-5a22A:
7.54
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.
5aoy ENDONUCLEASE V

(Mus musculus)
PF04493
(Endonuclease_5)
3 SER A 243
GLU A 100
ASP A 126
None
0.77A 4xudA-5aoyA:
undetectable
4xudA-5aoyA:
23.40
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.
5ft1 GP37

(Pseudomonas
virus phiKZ)
no annotation 3 SER A 212
GLU A 222
ASP A 137
None
0.84A 4xudA-5ft1A:
undetectable
4xudA-5ft1A:
19.43
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.
5gt5 PECTATE LYASE

(Paenibacillus
sp. 0602)
no annotation 3 SER A 122
GLU A 157
ASP A  97
None
0.81A 4xudA-5gt5A:
undetectable
4xudA-5gt5A:
17.53
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.
5gw5 T-COMPLEX PROTEIN 1
SUBUNIT BETA


(Saccharomyces
cerevisiae)
PF00118
(Cpn60_TCP1)
3 SER b 389
GLU b  87
ASP b  90
None
0.84A 4xudA-5gw5b:
undetectable
4xudA-5gw5b:
16.89
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.
5hn4 HOMOISOCITRATE
DEHYDROGENASE


(Thermococcus
kodakarensis)
PF00180
(Iso_dh)
3 SER A 221
GLU A 247
ASP A 218
None
48Y  A 401 ( 4.6A)
MN  A 402 ( 2.5A)
0.58A 4xudA-5hn4A:
3.0
4xudA-5hn4A:
22.03
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ju6 BETA-GLUCOSIDASE

(Rasamsonia
emersonii)
PF00933
(Glyco_hydro_3)
PF01915
(Glyco_hydro_3_C)
PF14310
(Fn3-like)
3 SER A 684
GLU A  58
ASP A 688
None
NAG  A 901 (-4.9A)
None
0.85A 4xudA-5ju6A:
undetectable
4xudA-5ju6A:
13.45
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.
5k5t EXTRACELLULAR
CALCIUM-SENSING
RECEPTOR


(Homo sapiens)
PF01094
(ANF_receptor)
PF07562
(NCD3G)
3 SER A 591
GLU A 567
ASP A 570
None
0.83A 4xudA-5k5tA:
3.6
4xudA-5k5tA:
17.43
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.
5n5d METHYLTRANSFERASE

(Streptomyces
regensis)
PF01596
(Methyltransf_3)
3 SER A  71
GLU A  89
ASP A 139
SAM  A 306 (-2.2A)
SAM  A 306 (-2.4A)
SAM  A 306 (-2.3A)
0.18A 4xudA-5n5dA:
22.6
4xudA-5n5dA:
29.88
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.
5oar BETA-HEXOSAMINIDASE

(Aspergillus
oryzae)
no annotation 3 SER B 274
GLU B 307
ASP B 345
None
NGT  B 707 (-3.7A)
NGT  B 707 (-3.9A)
0.85A 4xudA-5oarB:
undetectable
4xudA-5oarB:
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.
5tnx ALCOHOL
DEHYDROGENASE
ZINC-BINDING DOMAIN
PROTEIN


(Burkholderia
ambifaria)
PF00107
(ADH_zinc_N)
PF08240
(ADH_N)
3 SER A 245
GLU A 267
ASP A 225
EDO  A 403 (-2.8A)
None
EDO  A 403 ( 4.3A)
0.86A 4xudA-5tnxA:
6.9
4xudA-5tnxA:
21.66
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wpn FERRITIN

(Chaetopterus
variopedatus)
no annotation 3 SER A  33
GLU A  86
ASP A  88
None
0.79A 4xudA-5wpnA:
undetectable
4xudA-5wpnA:
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.
5xhm FERRITIN, MIDDLE
SUBUNIT


(Rana
catesbeiana)
PF00210
(Ferritin)
3 SER A  32
GLU A  85
ASP A  87
None
None
CL  A 213 (-4.9A)
0.83A 4xudA-5xhmA:
undetectable
4xudA-5xhmA:
21.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xwy A TYPE VI-A
CRISPR-CAS
RNA-GUIDED RNA
RIBONUCLEASE, CAS13A


(Leptotrichia
buccalis)
no annotation 3 SER A 265
GLU A 297
ASP A 236
None
A  B  12 ( 2.6A)
U  B  16 ( 3.8A)
0.70A 4xudA-5xwyA:
undetectable
4xudA-5xwyA:
10.12
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.
5ydj ACETYLCHOLINESTERASE

(Anopheles
gambiae)
no annotation 3 SER A 587
GLU A 610
ASP A 602
None
0.82A 4xudA-5ydjA:
undetectable
4xudA-5ydjA:
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.
5zw4 PUTATIVE
O-METHYLTRANSFERASE
YRRM


(Bacillus
subtilis)
no annotation 3 SER A  68
GLU A  85
ASP A 133
SAM  A 302 (-2.7A)
SAM  A 302 (-2.7A)
SAM  A 302 (-3.6A)
0.16A 4xudA-5zw4A:
22.3
4xudA-5zw4A:
29.51
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.
6bk8 PRE-MRNA-SPLICING
FACTOR SYF1


(Saccharomyces
cerevisiae)
no annotation 3 SER U 783
GLU U 743
ASP U 750
None
0.57A 4xudA-6bk8U:
undetectable
4xudA-6bk8U:
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.
6em0 2-HYDROXYBIPHENYL-3-
MONOOXYGENASE


(Pseudomonas
nitroreducens)
no annotation 3 SER A 329
GLU A 124
ASP A 313
FAD  A 601 ( 3.8A)
FAD  A 601 ( 4.8A)
FAD  A 601 (-3.1A)
0.64A 4xudA-6em0A:
3.7
4xudA-6em0A:
undetectable